MiMeDB: Showing metabocard for Cytidine 5'-monophosphate-N-acetylneuraminic acid (MMDBc0047922)

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2021-11-23 23:15:36 UTC

Update Date

2024-04-30 20:32:37 UTC

Metabolite ID

MMDBc0047922

Metabolite Identification

Common Name

Cytidine 5'-monophosphate-N-acetylneuraminic acid

Description

Cytidine 5'-monophosphate-N-acetylneuraminic acid (CMP-Neu5Ac), also known as CMP-N-acetyl-β-neuraminic acid, belongs to the class of organic compounds known as pyrimidine nucleotide sugars. These are pyrimidine nucleotides bound to a saccharide derivative through the terminal phosphate group. CMP-Neu5Ac is an extremely weak basic (essentially neutral) compound (based on its pKa). CMP-Neu5Ac donates N-acetylneuraminic acid to the terminal sugar of a ganglioside or glycoprotein.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI


  Mrv1652304202019252D          

 42 44  0  0  1  0            999 V2000
   -0.7145    0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4290    0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0001   -1.6499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1433    0.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290    1.6499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8251    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1434    0.4126    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4288    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8578    0.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5722    0.4127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7144    1.2374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.6199   -1.0431    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2874   -0.5582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8749   -1.8277    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9548   -1.0431    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6999   -1.8277    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3900   -2.4952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7394   -0.7882    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1848   -2.4952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9109    0.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3525   -1.3402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6956    0.2738    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2979    0.5709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1372   -1.0852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3087   -0.2783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0933   -0.0233    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8353   -0.7882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7144   -2.0623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 17  1  1  0  0  0
  1  2  1  0  0  0  0
  2 18  1  1  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  8  1  6  0  0  0
  4  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  6 20  1  1  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  1  0  0  0
 12 14  1  0  0  0  0
 12 15  1  6  0  0  0
 14 16  1  0  0  0  0
 18 19  1  0  0  0  0
 19 41  2  0  0  0  0
 19 42  1  0  0  0  0
 20 23  1  0  0  0  0
 23 21  2  0  0  0  0
 23 22  1  0  0  0  0
 23 39  1  0  0  0  0
 24 40  1  1  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  6  0  0  0
 27 30  1  1  0  0  0
 27 28  1  0  0  0  0
 28 31  1  6  0  0  0
 30 32  1  0  0  0  0
 30 33  1  0  0  0  0
 32 34  1  0  0  0  0
 32 35  2  0  0  0  0
 33 36  2  0  0  0  0
 34 37  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 40 39  1  0  0  0  0
M  END

HMDB0001176
     RDKit          3D
Cytidine 5'-monophosphate-N-acetylneuraminic acid
 72 74  0  0  0  0  0  0  0  0999 V2000
   -7.9558    1.8617    0.4191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9911    1.5620   -0.7593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5083    1.6806   -1.8940 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7169    1.2142   -0.4525 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4442    0.8668   -0.1461 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.2991    1.6939   -0.7201 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.2967    2.9823   -0.1972 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9843    1.0058   -0.7195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8235   -0.1922    0.1272 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9737   -1.1444   -0.4487 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5554   -0.6406   -0.8013 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.6472    0.7409   -1.4051 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1721   -1.6958   -2.0127 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6666   -0.7070    0.4605 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9552   -0.9427    0.0303 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9510   -1.0012    1.1480 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1886   -1.2590    0.5867 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0803   -0.2891    0.9477 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1331   -0.0922   -0.0080 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4289    0.0328    0.3681 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4614    0.2204   -0.5273 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1740    0.2861   -1.8721 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2066    0.4841   -2.8535 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8886    0.1630   -2.2454 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9199   -0.0185   -1.3321 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7451   -0.1269   -1.7452 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2160    0.9667    1.1402 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8498    1.8828    1.9499 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0435    0.2992    1.8826 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4554    0.0898    3.1881 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3183    0.1623    1.4623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3204   -0.4174    2.0117 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8910    1.1621    2.2314 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0128   -0.9038    0.3355 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0326   -0.5691   -0.5010 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.1881   -1.5219   -0.4516 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.1567   -1.0490   -1.3273 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7637   -1.7087    0.9293 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.7329   -2.2091    1.7247 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8450   -2.7627    0.8546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9130   -2.2778    0.0621 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8712    1.0474    1.1672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9543    1.9666    0.0171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5842    2.8173    0.8482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4033    1.1014   -1.7887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2440    0.9317    0.9893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5958    1.8334   -1.8054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2128    3.6737   -0.9057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2327    1.7880   -0.3945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6450    0.7466   -1.7666 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8223   -1.2303   -2.5694 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9557   -1.8132   -0.6376 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2484   -0.0665   -0.5965 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6652   -1.8337    1.8038 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5531   -0.5002    1.9468 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6735   -0.0181    1.4413 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4961    0.3212   -0.2260 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0063    0.5414   -3.8614 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1820    0.5699   -2.5178 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8676    1.3565    0.1686 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2813    2.6740    2.0231 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1254    0.8811    1.8154 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2411   -0.8368    3.4915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5629    2.1084    2.1464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7198   -0.5207   -1.5761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8403   -2.4850   -0.8647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9387   -1.1929   -2.2638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1676   -0.7564    1.3327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1685   -2.8376    1.2366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4129   -3.6319    0.2887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1703   -3.1485    1.8226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9644   -1.3150    0.2261 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  6
 10 11  1  0
 11 12  2  0
 11 13  1  0
 11 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 22 24  2  0
 24 25  1  0
 25 26  2  0
 18 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
  9 31  1  0
 31 32  2  0
 31 33  1  0
  9 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 36 38  1  0
 38 39  1  0
 38 40  1  0
 40 41  1  0
 35  5  1  0
 29 16  1  0
 25 19  1  0
  1 42  1  0
  1 43  1  0
  1 44  1  0
  4 45  1  0
  5 46  1  1
  6 47  1  6
  7 48  1  0
  8 49  1  0
  8 50  1  0
 13 51  1  0
 15 52  1  0
 15 53  1  0
 16 54  1  1
 18 55  1  1
 20 56  1  0
 21 57  1  0
 23 58  1  0
 23 59  1  0
 27 60  1  6
 28 61  1  0
 29 62  1  1
 30 63  1  0
 33 64  1  0
 35 65  1  6
 36 66  1  6
 37 67  1  0
 38 68  1  1
 39 69  1  0
 40 70  1  0
 40 71  1  0
 41 72  1  0
M  END


  Mrv1652304202019252D          

 42 44  0  0  1  0            999 V2000
   -0.7145    0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4290    0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0001   -1.6499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1433    0.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290    1.6499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8251    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1434    0.4126    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4288    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8578    0.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5722    0.4127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7144    1.2374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.6199   -1.0431    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2874   -0.5582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8749   -1.8277    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9548   -1.0431    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6999   -1.8277    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3900   -2.4952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7394   -0.7882    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1848   -2.4952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9109    0.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3525   -1.3402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6956    0.2738    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2979    0.5709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1372   -1.0852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3087   -0.2783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0933   -0.0233    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8353   -0.7882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7144   -2.0623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 17  1  1  0  0  0
  1  2  1  0  0  0  0
  2 18  1  1  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  8  1  6  0  0  0
  4  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  6 20  1  1  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  1  0  0  0
 12 14  1  0  0  0  0
 12 15  1  6  0  0  0
 14 16  1  0  0  0  0
 18 19  1  0  0  0  0
 19 41  2  0  0  0  0
 19 42  1  0  0  0  0
 20 23  1  0  0  0  0
 23 21  2  0  0  0  0
 23 22  1  0  0  0  0
 23 39  1  0  0  0  0
 24 40  1  1  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  6  0  0  0
 27 30  1  1  0  0  0
 27 28  1  0  0  0  0
 28 31  1  6  0  0  0
 30 32  1  0  0  0  0
 30 33  1  0  0  0  0
 32 34  1  0  0  0  0
 32 35  2  0  0  0  0
 33 36  2  0  0  0  0
 34 37  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 40 39  1  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0047922

> <DATABASE_NAME>
MIME

> <SMILES>
[H][C@]1(O[C@](C[C@H](O)[C@H]1NC(C)=O)(OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(N)=NC1=O)C(O)=O)[C@H](O)[C@H](O)CO

> <INCHI_IDENTIFIER>
InChI=1S/C20H31N4O16P/c1-7(26)22-12-8(27)4-20(18(32)33,39-16(12)13(29)9(28)5-25)40-41(35,36)37-6-10-14(30)15(31)17(38-10)24-3-2-11(21)23-19(24)34/h2-3,8-10,12-17,25,27-31H,4-6H2,1H3,(H,22,26)(H,32,33)(H,35,36)(H2,21,23,34)/t8-,9+,10+,12+,13+,14+,15+,16+,17+,20+/m0/s1

> <INCHI_KEY>
TXCIAUNLDRJGJZ-BILDWYJOSA-N

> <FORMULA>
C20H31N4O16P

> <MOLECULAR_WEIGHT>
614.4511

> <EXACT_MASS>
614.147267476

> <JCHEM_ACCEPTOR_COUNT>
16

> <JCHEM_ATOM_COUNT>
72

> <JCHEM_AVERAGE_POLARIZABILITY>
53.80805383702998

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
10

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,4S,5R,6R)-2-[({[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

> <ALOGPS_LOGP>
-2.70

> <JCHEM_LOGP>
-5.740562122522781

> <ALOGPS_LOGS>
-1.23

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
2.95934847850933

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.4845894703438178

> <JCHEM_PKA_STRONGEST_BASIC>
-0.21961406785414483

> <JCHEM_POLAR_SURFACE_AREA>
320.69

> <JCHEM_REFRACTIVITY>
125.42009999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.63e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
cmp-sialic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0001176
     RDKit          3D
Cytidine 5'-monophosphate-N-acetylneuraminic acid
 72 74  0  0  0  0  0  0  0  0999 V2000
   -7.9558    1.8617    0.4191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9911    1.5620   -0.7593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5083    1.6806   -1.8940 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7169    1.2142   -0.4525 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4442    0.8668   -0.1461 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.2991    1.6939   -0.7201 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.2967    2.9823   -0.1972 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9843    1.0058   -0.7195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8235   -0.1922    0.1272 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9737   -1.1444   -0.4487 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5554   -0.6406   -0.8013 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.6472    0.7409   -1.4051 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1721   -1.6958   -2.0127 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6666   -0.7070    0.4605 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9552   -0.9427    0.0303 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9510   -1.0012    1.1480 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1886   -1.2590    0.5867 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0803   -0.2891    0.9477 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1331   -0.0922   -0.0080 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4289    0.0328    0.3681 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4614    0.2204   -0.5273 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1740    0.2861   -1.8721 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2066    0.4841   -2.8535 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8886    0.1630   -2.2454 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9199   -0.0185   -1.3321 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7451   -0.1269   -1.7452 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2160    0.9667    1.1402 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8498    1.8828    1.9499 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0435    0.2992    1.8826 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4554    0.0898    3.1881 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3183    0.1623    1.4623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3204   -0.4174    2.0117 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8910    1.1621    2.2314 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0128   -0.9038    0.3355 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0326   -0.5691   -0.5010 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.1881   -1.5219   -0.4516 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.1567   -1.0490   -1.3273 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7637   -1.7087    0.9293 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.7329   -2.2091    1.7247 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8450   -2.7627    0.8546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9130   -2.2778    0.0621 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8712    1.0474    1.1672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9543    1.9666    0.0171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5842    2.8173    0.8482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4033    1.1014   -1.7887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2440    0.9317    0.9893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5958    1.8334   -1.8054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2128    3.6737   -0.9057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2327    1.7880   -0.3945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6450    0.7466   -1.7666 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8223   -1.2303   -2.5694 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9557   -1.8132   -0.6376 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2484   -0.0665   -0.5965 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6652   -1.8337    1.8038 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5531   -0.5002    1.9468 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6735   -0.0181    1.4413 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4961    0.3212   -0.2260 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0063    0.5414   -3.8614 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1820    0.5699   -2.5178 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8676    1.3565    0.1686 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2813    2.6740    2.0231 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1254    0.8811    1.8154 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2411   -0.8368    3.4915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5629    2.1084    2.1464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7198   -0.5207   -1.5761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8403   -2.4850   -0.8647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9387   -1.1929   -2.2638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1676   -0.7564    1.3327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1685   -2.8376    1.2366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4129   -3.6319    0.2887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1703   -3.1485    1.8226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9644   -1.3150    0.2261 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  6
 10 11  1  0
 11 12  2  0
 11 13  1  0
 11 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 22 24  2  0
 24 25  1  0
 25 26  2  0
 18 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
  9 31  1  0
 31 32  2  0
 31 33  1  0
  9 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 36 38  1  0
 38 39  1  0
 38 40  1  0
 40 41  1  0
 35  5  1  0
 29 16  1  0
 25 19  1  0
  1 42  1  0
  1 43  1  0
  1 44  1  0
  4 45  1  0
  5 46  1  1
  6 47  1  6
  7 48  1  0
  8 49  1  0
  8 50  1  0
 13 51  1  0
 15 52  1  0
 15 53  1  0
 16 54  1  1
 18 55  1  1
 20 56  1  0
 21 57  1  0
 23 58  1  0
 23 59  1  0
 27 60  1  6
 28 61  1  0
 29 62  1  1
 30 63  1  0
 33 64  1  0
 35 65  1  6
 36 66  1  6
 37 67  1  0
 38 68  1  1
 39 69  1  0
 40 70  1  0
 40 71  1  0
 41 72  1  0
M  END

HEADER    PROTEIN                                 20-APR-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   20-APR-20         0                                  
HETATM    1  C   UNK     0      -1.334   0.770   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       0.000   1.540   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0       0.000  -1.540   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.334   0.770   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      -0.000  -3.080   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0       4.001   0.770   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0       2.667   3.080   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      -2.667   1.540   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -4.001   0.770   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      -2.667   3.080   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      -5.335   1.540   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      -4.001  -0.770   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0      -6.668   0.770   0.000  0.00  0.00           O+0
HETATM   17  H   UNK     0      -1.334   2.310   0.000  0.00  0.00           H+0
HETATM   18  N   UNK     0      -2.667  -1.540   0.000  0.00  0.00           N+0
HETATM   19  C   UNK     0      -2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       2.667   0.000   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       1.334  -2.310   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       2.667  -3.080   0.000  0.00  0.00           O+0
HETATM   23  P   UNK     0       2.667  -1.540   0.000  0.00  0.00           P+0
HETATM   24  C   UNK     0       6.757  -1.947   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       8.003  -1.042   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       7.233  -3.412   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       9.249  -1.947   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       8.773  -3.412   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       6.328  -4.658   0.000  0.00  0.00           O+0
HETATM   30  N   UNK     0      10.714  -1.471   0.000  0.00  0.00           N+0
HETATM   31  O   UNK     0       9.678  -4.658   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      11.034   0.035   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      11.858  -2.502   0.000  0.00  0.00           C+0
HETATM   34  N   UNK     0      12.498   0.511   0.000  0.00  0.00           N+0
HETATM   35  O   UNK     0       9.889   1.066   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0      13.323  -2.026   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      13.643  -0.519   0.000  0.00  0.00           C+0
HETATM   38  N   UNK     0      15.107  -0.043   0.000  0.00  0.00           N+0
HETATM   39  O   UNK     0       4.001  -2.310   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0       5.293  -1.471   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0      -1.334  -3.850   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0      -4.001  -3.850   0.000  0.00  0.00           C+0
CONECT    1   11   17    2    3                                             
CONECT    2    1   18    4                                                  
CONECT    3    1    6                                                       
CONECT    4    2    8    5                                                  
CONECT    5    4    6                                                       
CONECT    6    3    5    7   20                                             
CONECT    7    6    9   10                                                  
CONECT    8    4                                                            
CONECT    9    7                                                            
CONECT   10    7                                                            
CONECT   11    1   12   13                                                  
CONECT   12   11   14   15                                                  
CONECT   13   11                                                            
CONECT   14   12   16                                                       
CONECT   15   12                                                            
CONECT   16   14                                                            
CONECT   17    1                                                            
CONECT   18    2   19                                                       
CONECT   19   18   41   42                                                  
CONECT   20    6   23                                                       
CONECT   21   23                                                            
CONECT   22   23                                                            
CONECT   23   20   21   22   39                                             
CONECT   24   40   25   26                                                  
CONECT   25   24   27                                                       
CONECT   26   24   28   29                                                  
CONECT   27   25   30   28                                                  
CONECT   28   26   27   31                                                  
CONECT   29   26                                                            
CONECT   30   27   32   33                                                  
CONECT   31   28                                                            
CONECT   32   30   34   35                                                  
CONECT   33   30   36                                                       
CONECT   34   32   37                                                       
CONECT   35   32                                                            
CONECT   36   33   37                                                       
CONECT   37   34   36   38                                                  
CONECT   38   37                                                            
CONECT   39   23   40                                                       
CONECT   40   24   39                                                       
CONECT   41   19                                                            
CONECT   42   19                                                            
MASTER        0    0    0    0    0    0    0    0   42    0   88    0
END

COMPND    HMDB0001176
HETATM    1  C1  UNL     1      -7.956   1.862   0.419  1.00  0.00           C  
HETATM    2  C2  UNL     1      -6.991   1.562  -0.759  1.00  0.00           C  
HETATM    3  O1  UNL     1      -7.508   1.681  -1.894  1.00  0.00           O  
HETATM    4  N1  UNL     1      -5.717   1.214  -0.452  1.00  0.00           N  
HETATM    5  C3  UNL     1      -4.444   0.867  -0.146  1.00  0.00           C  
HETATM    6  C4  UNL     1      -3.299   1.694  -0.720  1.00  0.00           C  
HETATM    7  O2  UNL     1      -3.297   2.982  -0.197  1.00  0.00           O  
HETATM    8  C5  UNL     1      -1.984   1.006  -0.720  1.00  0.00           C  
HETATM    9  C6  UNL     1      -1.824  -0.192   0.127  1.00  0.00           C  
HETATM   10  O3  UNL     1      -0.974  -1.144  -0.449  1.00  0.00           O  
HETATM   11  P1  UNL     1       0.555  -0.641  -0.801  1.00  0.00           P  
HETATM   12  O4  UNL     1       0.647   0.741  -1.405  1.00  0.00           O  
HETATM   13  O5  UNL     1       1.172  -1.696  -2.013  1.00  0.00           O  
HETATM   14  O6  UNL     1       1.667  -0.707   0.460  1.00  0.00           O  
HETATM   15  C7  UNL     1       2.955  -0.943   0.030  1.00  0.00           C  
HETATM   16  C8  UNL     1       3.951  -1.001   1.148  1.00  0.00           C  
HETATM   17  O7  UNL     1       5.189  -1.259   0.587  1.00  0.00           O  
HETATM   18  C9  UNL     1       6.080  -0.289   0.948  1.00  0.00           C  
HETATM   19  N2  UNL     1       7.133  -0.092  -0.008  1.00  0.00           N  
HETATM   20  C10 UNL     1       8.429   0.033   0.368  1.00  0.00           C  
HETATM   21  C11 UNL     1       9.461   0.220  -0.527  1.00  0.00           C  
HETATM   22  C12 UNL     1       9.174   0.286  -1.872  1.00  0.00           C  
HETATM   23  N3  UNL     1      10.207   0.484  -2.853  1.00  0.00           N  
HETATM   24  N4  UNL     1       7.889   0.163  -2.245  1.00  0.00           N  
HETATM   25  C13 UNL     1       6.920  -0.019  -1.332  1.00  0.00           C  
HETATM   26  O8  UNL     1       5.745  -0.127  -1.745  1.00  0.00           O  
HETATM   27  C14 UNL     1       5.216   0.967   1.140  1.00  0.00           C  
HETATM   28  O9  UNL     1       5.850   1.883   1.950  1.00  0.00           O  
HETATM   29  C15 UNL     1       4.044   0.299   1.883  1.00  0.00           C  
HETATM   30  O10 UNL     1       4.455   0.090   3.188  1.00  0.00           O  
HETATM   31  C16 UNL     1      -1.318   0.162   1.462  1.00  0.00           C  
HETATM   32  O11 UNL     1      -0.320  -0.417   2.012  1.00  0.00           O  
HETATM   33  O12 UNL     1      -1.891   1.162   2.231  1.00  0.00           O  
HETATM   34  O13 UNL     1      -3.013  -0.904   0.335  1.00  0.00           O  
HETATM   35  C17 UNL     1      -4.033  -0.569  -0.501  1.00  0.00           C  
HETATM   36  C18 UNL     1      -5.188  -1.522  -0.452  1.00  0.00           C  
HETATM   37  O14 UNL     1      -6.157  -1.049  -1.327  1.00  0.00           O  
HETATM   38  C19 UNL     1      -5.764  -1.709   0.929  1.00  0.00           C  
HETATM   39  O15 UNL     1      -4.733  -2.209   1.725  1.00  0.00           O  
HETATM   40  C20 UNL     1      -6.845  -2.763   0.855  1.00  0.00           C  
HETATM   41  O16 UNL     1      -7.913  -2.278   0.062  1.00  0.00           O  
HETATM   42  H1  UNL     1      -7.871   1.047   1.167  1.00  0.00           H  
HETATM   43  H2  UNL     1      -8.954   1.967   0.017  1.00  0.00           H  
HETATM   44  H3  UNL     1      -7.584   2.817   0.848  1.00  0.00           H  
HETATM   45  H4  UNL     1      -5.403   1.101  -1.789  1.00  0.00           H  
HETATM   46  H5  UNL     1      -4.244   0.932   0.989  1.00  0.00           H  
HETATM   47  H6  UNL     1      -3.596   1.833  -1.805  1.00  0.00           H  
HETATM   48  H7  UNL     1      -3.213   3.674  -0.906  1.00  0.00           H  
HETATM   49  H8  UNL     1      -1.233   1.788  -0.395  1.00  0.00           H  
HETATM   50  H9  UNL     1      -1.645   0.747  -1.767  1.00  0.00           H  
HETATM   51  H10 UNL     1       1.822  -1.230  -2.569  1.00  0.00           H  
HETATM   52  H11 UNL     1       2.956  -1.813  -0.638  1.00  0.00           H  
HETATM   53  H12 UNL     1       3.248  -0.066  -0.596  1.00  0.00           H  
HETATM   54  H13 UNL     1       3.665  -1.834   1.804  1.00  0.00           H  
HETATM   55  H14 UNL     1       6.553  -0.500   1.947  1.00  0.00           H  
HETATM   56  H15 UNL     1       8.674  -0.018   1.441  1.00  0.00           H  
HETATM   57  H16 UNL     1      10.496   0.321  -0.226  1.00  0.00           H  
HETATM   58  H17 UNL     1      10.006   0.541  -3.861  1.00  0.00           H  
HETATM   59  H18 UNL     1      11.182   0.570  -2.518  1.00  0.00           H  
HETATM   60  H19 UNL     1       4.868   1.356   0.169  1.00  0.00           H  
HETATM   61  H20 UNL     1       5.281   2.674   2.023  1.00  0.00           H  
HETATM   62  H21 UNL     1       3.125   0.881   1.815  1.00  0.00           H  
HETATM   63  H22 UNL     1       4.241  -0.837   3.492  1.00  0.00           H  
HETATM   64  H23 UNL     1      -1.563   2.108   2.146  1.00  0.00           H  
HETATM   65  H24 UNL     1      -3.720  -0.521  -1.576  1.00  0.00           H  
HETATM   66  H25 UNL     1      -4.840  -2.485  -0.865  1.00  0.00           H  
HETATM   67  H26 UNL     1      -5.939  -1.193  -2.264  1.00  0.00           H  
HETATM   68  H27 UNL     1      -6.168  -0.756   1.333  1.00  0.00           H  
HETATM   69  H28 UNL     1      -4.169  -2.838   1.237  1.00  0.00           H  
HETATM   70  H29 UNL     1      -6.413  -3.632   0.289  1.00  0.00           H  
HETATM   71  H30 UNL     1      -7.170  -3.149   1.823  1.00  0.00           H  
HETATM   72  H31 UNL     1      -7.964  -1.315   0.226  1.00  0.00           H  
CONECT    1    2   42   43   44
CONECT    2    3    3    4
CONECT    4    5   45
CONECT    5    6   35   46
CONECT    6    7    8   47
CONECT    7   48
CONECT    8    9   49   50
CONECT    9   10   31   34
CONECT   10   11
CONECT   11   12   12   13   14
CONECT   13   51
CONECT   14   15
CONECT   15   16   52   53
CONECT   16   17   29   54
CONECT   17   18
CONECT   18   19   27   55
CONECT   19   20   25
CONECT   20   21   21   56
CONECT   21   22   57
CONECT   22   23   24   24
CONECT   23   58   59
CONECT   24   25
CONECT   25   26   26
CONECT   27   28   29   60
CONECT   28   61
CONECT   29   30   62
CONECT   30   63
CONECT   31   32   32   33
CONECT   33   64
CONECT   34   35
CONECT   35   36   65
CONECT   36   37   38   66
CONECT   37   67
CONECT   38   39   40   68
CONECT   39   69
CONECT   40   41   70   71
CONECT   41   72
END

HMDB0001176
     RDKit          3D
Cytidine 5'-monophosphate-N-acetylneuraminic acid
 72 74  0  0  0  0  0  0  0  0999 V2000
   -7.9558    1.8617    0.4191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9911    1.5620   -0.7593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5083    1.6806   -1.8940 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7169    1.2142   -0.4525 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4442    0.8668   -0.1461 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.2991    1.6939   -0.7201 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.2967    2.9823   -0.1972 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9843    1.0058   -0.7195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8235   -0.1922    0.1272 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9737   -1.1444   -0.4487 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5554   -0.6406   -0.8013 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.6472    0.7409   -1.4051 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1721   -1.6958   -2.0127 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6666   -0.7070    0.4605 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9552   -0.9427    0.0303 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9510   -1.0012    1.1480 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1886   -1.2590    0.5867 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0803   -0.2891    0.9477 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1331   -0.0922   -0.0080 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4289    0.0328    0.3681 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4614    0.2204   -0.5273 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1740    0.2861   -1.8721 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2066    0.4841   -2.8535 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8886    0.1630   -2.2454 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9199   -0.0185   -1.3321 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7451   -0.1269   -1.7452 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2160    0.9667    1.1402 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8498    1.8828    1.9499 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0435    0.2992    1.8826 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4554    0.0898    3.1881 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3183    0.1623    1.4623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3204   -0.4174    2.0117 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8910    1.1621    2.2314 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0128   -0.9038    0.3355 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0326   -0.5691   -0.5010 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.1881   -1.5219   -0.4516 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.1567   -1.0490   -1.3273 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7637   -1.7087    0.9293 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.7329   -2.2091    1.7247 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8450   -2.7627    0.8546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9130   -2.2778    0.0621 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8712    1.0474    1.1672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9543    1.9666    0.0171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5842    2.8173    0.8482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4033    1.1014   -1.7887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2440    0.9317    0.9893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5958    1.8334   -1.8054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2128    3.6737   -0.9057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2327    1.7880   -0.3945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6450    0.7466   -1.7666 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8223   -1.2303   -2.5694 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9557   -1.8132   -0.6376 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2484   -0.0665   -0.5965 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6652   -1.8337    1.8038 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5531   -0.5002    1.9468 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6735   -0.0181    1.4413 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4961    0.3212   -0.2260 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0063    0.5414   -3.8614 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1820    0.5699   -2.5178 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8676    1.3565    0.1686 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2813    2.6740    2.0231 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1254    0.8811    1.8154 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2411   -0.8368    3.4915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5629    2.1084    2.1464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7198   -0.5207   -1.5761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8403   -2.4850   -0.8647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9387   -1.1929   -2.2638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1676   -0.7564    1.3327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1685   -2.8376    1.2366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4129   -3.6319    0.2887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1703   -3.1485    1.8226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9644   -1.3150    0.2261 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  6
 10 11  1  0
 11 12  2  0
 11 13  1  0
 11 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 22 24  2  0
 24 25  1  0
 25 26  2  0
 18 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
  9 31  1  0
 31 32  2  0
 31 33  1  0
  9 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 36 38  1  0
 38 39  1  0
 38 40  1  0
 40 41  1  0
 35  5  1  0
 29 16  1  0
 25 19  1  0
  1 42  1  0
  1 43  1  0
  1 44  1  0
  4 45  1  0
  5 46  1  1
  6 47  1  6
  7 48  1  0
  8 49  1  0
  8 50  1  0
 13 51  1  0
 15 52  1  0
 15 53  1  0
 16 54  1  1
 18 55  1  1
 20 56  1  0
 21 57  1  0
 23 58  1  0
 23 59  1  0
 27 60  1  6
 28 61  1  0
 29 62  1  1
 30 63  1  0
 33 64  1  0
 35 65  1  6
 36 66  1  6
 37 67  1  0
 38 68  1  1
 39 69  1  0
 40 70  1  0
 40 71  1  0
 41 72  1  0
M  END

Synonyms

Value	Source
CMP Acetylneuraminic acid	ChEBI
CMP-beta-Neu5ac	ChEBI
CMP-N-Acetylneuraminate	ChEBI
CMP-Nana	ChEBI
CMP-Neu5ac	ChEBI
CMP-NeuNAc	ChEBI
CMP-Sialic acid	ChEBI
Cytidine monophosphate N-acetylneuraminic acid	ChEBI
CYTIDINE-5'-monophosphATE-5-N-acetylneuraminIC ACID	ChEBI
Cytidine-5'-monophospho-N-acetylneuraminic acid	ChEBI
Cytidine-5'-monophosphono-N-acetylneuraminic acid	ChEBI
CMP-N-Acetyl-beta-neuraminate	Kegg
CMP Acetylneuraminate	Generator
CMP-b-Neu5ac	Generator
CMP-Β-neu5ac	Generator
CMP-N-Acetylneuraminic acid	Generator
CMP-Sialate	Generator
Cytidine monophosphate N-acetylneuraminate	Generator
Cytidine monophosphoric acid N-acetylneuraminic acid	Generator
CYTIDINE-5'-monophosphate-5-N-acetylneuraminate	Generator
CYTIDINE-5'-monophosphoric acid-5-N-acetylneuraminic acid	Generator
Cytidine-5'-monophospho-N-acetylneuraminate	Generator
Cytidine-5'-monophosphono-N-acetylneuraminate	Generator
CMP-N-Acetyl-b-neuraminate	Generator
CMP-N-Acetyl-b-neuraminic acid	Generator
CMP-N-Acetyl-beta-neuraminic acid	Generator
CMP-N-Acetyl-β-neuraminate	Generator
CMP-N-Acetyl-β-neuraminic acid	Generator
Cytidine 5'-monophosphate-N-acetylneuraminate	Generator
Cytidine 5'-monophosphoric acid-N-acetylneuraminic acid	Generator
CMP-N-Acylneuraminate	HMDB
Cytidine 5'-monophosphate N-acetylneuraminic acid	HMDB
Acetylneuraminic acid, CMP	HMDB
Acid, CMP acetylneuraminic	HMDB
Acid, CMP-sialic	HMDB
CMP Sialic acid	HMDB
Cytidine monophosphate N acetylneuraminic acid	HMDB
CMP-NeuAc	HMDB
Cytidine 5'-monophosphic acid-N-acetylneuraminic acid	HMDB
Cytidine 5'-monophospho-N-acetylneuraminate	HMDB
Cytidine 5'-monophospho-N-acetylneuraminic acid	HMDB
Cytidine 5’-monophosphate-N-acetylneuraminate	HMDB
Cytidine 5’-monophosphate-N-acetylneuraminic acid	HMDB
Cytidine 5’-monophosphic acid-N-acetylneuraminic acid	HMDB
Cytidine 5’-monophospho-N-acetylneuraminate	HMDB
Cytidine 5’-monophospho-N-acetylneuraminic acid	HMDB
Cytidine monophosphic acid N-acetylneuraminic acid	HMDB
Cytidine 5'-monophosphate-N-acetylneuraminic acid	HMDB

Molecular Formula

C₂₀H₃₁N₄O₁₆P

Average Mass

614.4511

Monoisotopic Mass

614.147267476

IUPAC Name

(2R,4S,5R,6R)-2-[({[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

Traditional Name

cmp-sialic acid

CAS Registry Number

3063-71-6

SMILES

[H][C@]1(O[C@](C[C@H](O)[C@H]1NC(C)=O)(OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(N)=NC1=O)C(O)=O)[C@H](O)[C@H](O)CO

InChI Identifier

InChI=1S/C20H31N4O16P/c1-7(26)22-12-8(27)4-20(18(32)33,39-16(12)13(29)9(28)5-25)40-41(35,36)37-6-10-14(30)15(31)17(38-10)24-3-2-11(21)23-19(24)34/h2-3,8-10,12-17,25,27-31H,4-6H2,1H3,(H,22,26)(H,32,33)(H,35,36)(H2,21,23,34)/t8-,9+,10+,12+,13+,14+,15+,16+,17+,20+/m0/s1

InChI Key

TXCIAUNLDRJGJZ-BILDWYJOSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pyrimidine nucleotide sugars. These are pyrimidine nucleotides bound to a saccharide derivative through the terminal phosphate group.

Kingdom

Organic compounds

Super Class

Nucleosides, nucleotides, and analogues

Class

Pyrimidine nucleotides

Sub Class

Pyrimidine nucleotide sugars

Direct Parent

Pyrimidine nucleotide sugars

Alternative Parents

Substituents

Pyrimidine nucleotide sugar
Pyrimidine ribonucleoside monophosphate
N-acylneuraminic acid
N-acylneuraminic acid or derivatives
Neuraminic acid
Pentose phosphate
Pentose-5-phosphate
C-glucuronide
C-glycosyl compound
Glycosyl compound
N-glycosyl compound
Monosaccharide phosphate
Aminopyrimidine
Pyrimidone
Dialkyl phosphate
Hydropyrimidine
Monosaccharide
Organic phosphoric acid derivative
Oxane
Phosphoric acid ester
Pyran
Pyrimidine
Imidolactam
Alkyl phosphate
Tetrahydrofuran
Acetamide
Heteroaromatic compound
Carboxamide group
Secondary carboxylic acid amide
Secondary alcohol
Amino acid
Amino acid or derivatives
Polyol
Organoheterocyclic compound
Azacycle
Carboxylic acid derivative
Carboxylic acid
Oxacycle
Monocarboxylic acid or derivatives
Organopnictogen compound
Organic oxide
Carbonyl group
Organic oxygen compound
Primary amine
Alcohol
Primary alcohol
Hydrocarbon derivative
Amine
Organic nitrogen compound
Organooxygen compound
Organonitrogen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

CMP-N-acyl-beta-neuraminic acid (CHEBI:16556 )

Functional Ontology

Not Available

Physical Properties

State

Solid

Predicted Properties

Property	Value	Source
Water Solubility	36.3 g/L	ALOGPS
logP	-2.7	ALOGPS
logP	-5.7	ChemAxon
logS	-1.2	ALOGPS
pKa (Strongest Acidic)	1.48	ChemAxon
pKa (Strongest Basic)	-0.22	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	16	ChemAxon
Hydrogen Donor Count	10	ChemAxon
Polar Surface Area	320.69 Å²	ChemAxon
Rotatable Bond Count	11	ChemAxon
Refractivity	125.42 m³·mol⁻¹	ChemAxon
Polarizability	53.81 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-01ot-9512160000-178f009287639a11dbfd	2017-09-01	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive	splash10-044l-9624017000-8c596d9b4644a97fbb65	2017-10-06	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-16	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-16	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-16	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-16	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-16	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-16	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-10-16	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_9) - 70eV, Positive	Not Available	2021-10-16	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_10) - 70eV, Positive	Not Available	2021-10-16	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-10-16	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-16	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-16	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-16	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-16	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-16	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-16	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-16	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-16	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-16	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-16	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-16	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-10-16	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-10-16	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-03di-0912020000-9d330aadc1882c503212	2017-07-25	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-03di-3902000000-b2c85490ddb7f53db6f4	2017-07-25	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-03di-6910000000-a8d1f94c4661e1dd3097	2017-07-25	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-03di-4813091000-d68fb03c5bbe9978f2e5	2017-07-26	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-03di-4912010000-168821fb3a4dc5a309b1	2017-07-26	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-08fr-9310000000-5e2455827ac9cc8b0a87	2017-07-26	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-03di-2004169000-eac426191a551fa0ea5f	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0bvs-9003180000-afd899893a04da29e2e4	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004l-9001310000-a0291ac7ad84d4ba3ecb	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-014i-0240369000-cae65d161602c1ecc345	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-03di-1864591000-a0ca8cc5e78443e5226c	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-03k9-3943120000-4ac27539b86275883867	2021-09-22	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-24	View Spectrum

Chromatographic Retention Times and Retention Indices

Retention Times

Chromatography Type	Technique	Column	Deposition Date	Retention Time (s)
Liquid Chromatography	HILIC	Waters Acquity UPLC-BEH Amide column (eluted)	2025-10-24	726.3
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-24	523.4
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (eluted)	2025-10-24	88.9
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-24	300.6
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-24	367.9
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (eluted)	2025-10-24	225.7
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-24	504.9
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-24	1094.0
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-24	668.5
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-24	163.5
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-24	571.2
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-24	184.1
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-24	29.9
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-24	677.1
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-24	767.3
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-24	76.6
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-24	374.4
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-24	876.8
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-24	632.1

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_1	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	standard non polar	2025-10-24	2525.52
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_2	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	standard non polar	2025-10-24	1311.22
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_3	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	standard non polar	2025-10-24	1923.88
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_4	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO	standard non polar	2025-10-24	1608.76
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_5	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	standard non polar	2025-10-24	1706.38
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_6	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-24	1754.96
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_7	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	standard non polar	2025-10-24	1722.17
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_8	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	standard non polar	2025-10-24	2155.31
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_9	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	standard non polar	2025-10-24	2474.23
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_10	CC(=O)N([C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	standard non polar	2025-10-24	1981.56
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_11	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	standard non polar	2025-10-24	2006.91
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_12	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	standard non polar	2025-10-24	2171.15
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_13	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO	standard non polar	2025-10-24	865.002
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_14	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	standard non polar	2025-10-24	1770.37
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_15	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-24	2294.72
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_16	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	standard non polar	2025-10-24	2504.54
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_17	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	standard non polar	2025-10-24	2036.99
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_18	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	standard non polar	2025-10-24	1385.84
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_19	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	standard non polar	2025-10-24	2699.07
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_20	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	standard non polar	2025-10-24	1457.46
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_21	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO	standard non polar	2025-10-24	1615.82
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_22	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	standard non polar	2025-10-24	1021.3
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_23	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-24	2313.28
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_24	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	standard non polar	2025-10-24	3718.06
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_25	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	standard non polar	2025-10-24	2584.49
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_26	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	standard non polar	2025-10-24	3016.52
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_27	CC(=O)N([C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	standard non polar	2025-10-24	1998.81
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_28	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO	standard non polar	2025-10-24	2259.59
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_29	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	standard non polar	2025-10-24	2367.85
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_30	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-24	1507.61
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_31	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	standard non polar	2025-10-24	1647.0
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_32	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	standard non polar	2025-10-24	1167.1
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_33	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	standard non polar	2025-10-24	1769.54
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_34	CC(=O)N([C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	standard non polar	2025-10-24	2458.07
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_35	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	standard non polar	2025-10-24	2614.28
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_36	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-24	2410.82
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_37	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	standard non polar	2025-10-24	2359.97
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_38	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO	standard non polar	2025-10-24	2587.88
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_39	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO	standard non polar	2025-10-24	2262.39
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_40	CC(=O)N([C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	standard non polar	2025-10-24	2334.26
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_41	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-24	2280.2
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_42	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	standard non polar	2025-10-24	1592.99
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_43	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	standard non polar	2025-10-24	2130.5
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_44	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	standard non polar	2025-10-24	2330.43
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_45	CC(=O)N([C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO)[Si](C)(C)C	standard non polar	2025-10-24	2628.74
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_46	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1728.22
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_47	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-24	629.139
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_48	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-24	695.887
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_49	CC(=O)N([C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	1801.2
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_50	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	standard non polar	2025-10-24	2930.61
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_51	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	standard non polar	2025-10-24	510.58
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_52	CC(=O)N([C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	2333.09
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_53	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	standard non polar	2025-10-24	1175.38
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_54	CC(=O)N([C@@H]1[C@@H](O)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	standard non polar	2025-10-24	2511.79
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_55	CC(=O)N([C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	standard non polar	2025-10-24	2065.2
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_56	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	standard non polar	2025-10-24	1778.77
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_57	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	standard non polar	2025-10-24	775.137
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_58	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO	standard non polar	2025-10-24	638.995
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_59	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	standard non polar	2025-10-24	2314.54
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_60	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-24	1236.0
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_61	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	standard non polar	2025-10-24	2645.21
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_62	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	standard non polar	2025-10-24	2277.45
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_63	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	standard non polar	2025-10-24	2015.34
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_64	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	standard non polar	2025-10-24	1137.23
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_65	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO	standard non polar	2025-10-24	1854.34
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_66	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	standard non polar	2025-10-24	1513.01
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_67	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-24	1911.71
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_68	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	standard non polar	2025-10-24	2447.33
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_69	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	standard non polar	2025-10-24	2154.28
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_70	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	standard non polar	2025-10-24	2541.43
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_71	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	standard non polar	2025-10-24	1746.53
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_72	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	standard non polar	2025-10-24	2466.47
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_73	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-24	2748.29
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_74	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	standard non polar	2025-10-24	3659.46
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_75	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO	standard non polar	2025-10-24	2877.82
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_76	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO	standard non polar	2025-10-24	863.321
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_77	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	standard non polar	2025-10-24	2327.49
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_78	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-24	3189.35
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_79	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	standard non polar	2025-10-24	1074.98
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_80	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	standard non polar	2025-10-24	516.221
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_81	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	standard non polar	2025-10-24	2626.85
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_82	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO)[Si](C)(C)C	standard non polar	2025-10-24	1694.4
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_83	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2440.63
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_84	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-24	1746.69
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_85	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-24	1441.7
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_86	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	1482.47
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_87	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	standard non polar	2025-10-24	3938.47
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_88	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	standard non polar	2025-10-24	1958.73
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_89	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	587.009
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_90	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	standard non polar	2025-10-24	828.848
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_91	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	standard non polar	2025-10-24	2960.77
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_92	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	standard non polar	2025-10-24	3111.38
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_93	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	standard non polar	2025-10-24	1558.29
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_94	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO	standard non polar	2025-10-24	2386.88
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_95	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	standard non polar	2025-10-24	1580.58
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_96	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-24	2128.18
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_97	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	standard non polar	2025-10-24	1748.04
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_98	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	standard non polar	2025-10-24	2166.51
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_99	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	standard non polar	2025-10-24	215.754
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_100	CC(=O)N([C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	standard non polar	2025-10-24	1581.28
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_101	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	standard non polar	2025-10-24	1824.16
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_102	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-24	2469.43
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_103	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	standard non polar	2025-10-24	2002.56
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_104	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO	standard non polar	2025-10-24	2065.49
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_105	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO	standard non polar	2025-10-24	891.957
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_106	CC(=O)N([C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	standard non polar	2025-10-24	2486.67
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_107	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-24	-142.28
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_108	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	standard non polar	2025-10-24	3797.34
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_109	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	standard non polar	2025-10-24	1116.38
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_110	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	standard non polar	2025-10-24	767.198
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_111	CC(=O)N([C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO)[Si](C)(C)C	standard non polar	2025-10-24	1748.51
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_112	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	3166.29
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_113	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-24	1901.01
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_114	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-24	1160.76
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_115	CC(=O)N([C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	1786.25
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_116	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	standard non polar	2025-10-24	3265.91
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_117	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	standard non polar	2025-10-24	1584.16
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_118	CC(=O)N([C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	1430.76
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_119	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	standard non polar	2025-10-24	1194.0
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_120	CC(=O)N([C@@H]1[C@@H](O)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	standard non polar	2025-10-24	2480.93
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_121	CC(=O)N([C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	standard non polar	2025-10-24	1672.28
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_122	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	standard non polar	2025-10-24	-818.813
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_123	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	standard non polar	2025-10-24	246.051
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_124	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-24	2211.69
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_125	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	standard non polar	2025-10-24	1535.63
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_126	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO	standard non polar	2025-10-24	1830.69
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_127	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO	standard non polar	2025-10-24	1401.42
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_128	CC(=O)N([C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	standard non polar	2025-10-24	2851.73
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_129	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-24	2733.75
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_130	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	standard non polar	2025-10-24	1058.61
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_131	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	standard non polar	2025-10-24	2033.21
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_132	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	standard non polar	2025-10-24	2812.41
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_133	CC(=O)N([C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO)[Si](C)(C)C	standard non polar	2025-10-24	474.264
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_134	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1953.6
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_135	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-24	2810.32
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_136	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-24	829.565
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_137	CC(=O)N([C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	1659.03
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_138	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	standard non polar	2025-10-24	2547.25
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_139	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	standard non polar	2025-10-24	1554.49
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_140	CC(=O)N([C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	1944.0
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_141	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	standard non polar	2025-10-24	1858.05
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_142	CC(=O)N([C@@H]1[C@@H](O)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	standard non polar	2025-10-24	3322.55
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_143	CC(=O)N([C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	standard non polar	2025-10-24	1123.79
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_144	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	standard non polar	2025-10-24	1734.21
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_145	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-24	1165.6
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_146	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	standard non polar	2025-10-24	2315.33
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_147	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	standard non polar	2025-10-24	2263.24
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_148	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	standard non polar	2025-10-24	1616.92
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_149	CC(=O)N([C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO)[Si](C)(C)C	standard non polar	2025-10-24	873.526
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_150	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2653.28
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_151	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-24	2326.22
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_152	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-24	1723.02
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_153	CC(=O)N([C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	2449.38
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_154	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	standard non polar	2025-10-24	1623.25
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_155	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	standard non polar	2025-10-24	1965.47
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_156	CC(=O)N([C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	865.493
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_157	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO	standard non polar	2025-10-24	946.474
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_158	CC(=O)N([C@@H]1[C@@H](O)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	standard non polar	2025-10-24	2310.35
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_159	CC(=O)N([C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	standard non polar	2025-10-24	2144.46
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_160	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO	standard non polar	2025-10-24	1623.81
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_161	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1258.24
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_162	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-24	1631.32
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_163	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-24	1322.59
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_164	CC(=O)N([C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	2217.1
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_165	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	standard non polar	2025-10-24	2644.97
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_166	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	standard non polar	2025-10-24	2884.45
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_167	CC(=O)N([C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	3345.13
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_168	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	standard non polar	2025-10-24	3485.53
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_169	CC(=O)N([C@@H]1[C@@H](O)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO)[Si](C)(C)C	standard non polar	2025-10-24	3043.03
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_170	CC(=O)N([C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO)[Si](C)(C)C	standard non polar	2025-10-24	2164.31
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_171	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	standard non polar	2025-10-24	3648.03
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_172	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	3214.27
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_173	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1329.74
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_174	CC(=O)N([C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	1164.82
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_175	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-24	860.506
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_176	CC(=O)N([C@@H]1[C@@H](O)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	1852.36
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_177	CC(=O)N([C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	1658.79
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_178	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-24	1285.05
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_179	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	standard non polar	2025-10-24	2351.5
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_180	CC(=O)N([C@@H]1[C@@H](O)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	2239.29
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_181	CC(=O)N([C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	standard non polar	2025-10-24	2468.89
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_182	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	standard non polar	2025-10-24	3225.3
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_183	CC(=O)N([C@@H]1[C@@H](O)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	standard non polar	2025-10-24	2456.15
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_184	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	standard non polar	2025-10-24	2481.59
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_185	CC(=O)N([C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	standard non polar	2025-10-24	1871.26
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_1	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	standard polar	2025-10-24	1697.21
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_2	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	standard polar	2025-10-24	2754.62
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_3	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	standard polar	2025-10-24	2661.24
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_4	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO	standard polar	2025-10-24	1562.35
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_5	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	standard polar	2025-10-24	1367.28
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_6	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-24	1272.48
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_7	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	standard polar	2025-10-24	2256.95
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_8	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	standard polar	2025-10-24	1119.57
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_9	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	standard polar	2025-10-24	1259.57
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_10	CC(=O)N([C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	standard polar	2025-10-24	1117.66
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_11	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	standard polar	2025-10-24	2373.57
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_12	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	standard polar	2025-10-24	2615.95
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_13	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO	standard polar	2025-10-24	2243.1
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_14	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	standard polar	2025-10-24	1350.3
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_15	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-24	1671.71
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_16	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	standard polar	2025-10-24	1761.48
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_17	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	standard polar	2025-10-24	2663.41
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_18	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	standard polar	2025-10-24	1740.69
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_19	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	standard polar	2025-10-24	3143.02
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_20	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	standard polar	2025-10-24	2784.27
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_21	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO	standard polar	2025-10-24	3737.63
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_22	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	standard polar	2025-10-24	1362.1
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_23	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-24	2978.58
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_24	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	standard polar	2025-10-24	2529.52
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_25	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	standard polar	2025-10-24	2207.31
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_26	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	standard polar	2025-10-24	3907.11
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_27	CC(=O)N([C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	standard polar	2025-10-24	3143.65
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_28	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO	standard polar	2025-10-24	1701.23
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_29	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	standard polar	2025-10-24	2839.83
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_30	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-24	1726.86
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_31	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	standard polar	2025-10-24	2492.57
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_32	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	standard polar	2025-10-24	3124.38
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_33	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	standard polar	2025-10-24	2579.28
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_34	CC(=O)N([C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	standard polar	2025-10-24	1512.96
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_35	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	standard polar	2025-10-24	1012.92
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_36	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-24	2324.31
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_37	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	standard polar	2025-10-24	946.178
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_38	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO	standard polar	2025-10-24	3181.58
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_39	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO	standard polar	2025-10-24	2970.4
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_40	CC(=O)N([C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	standard polar	2025-10-24	2792.47
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_41	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-24	2054.25
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_42	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	standard polar	2025-10-24	3140.27
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_43	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	standard polar	2025-10-24	2624.82
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_44	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	standard polar	2025-10-24	2412.73
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_45	CC(=O)N([C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO)[Si](C)(C)C	standard polar	2025-10-24	1597.76
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_46	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2287.81
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_47	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-24	1205.59
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_48	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-24	1977.68
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_49	CC(=O)N([C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	3142.57
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_50	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	standard polar	2025-10-24	231.251
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_51	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	standard polar	2025-10-24	1643.7
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_52	CC(=O)N([C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	1580.34
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_53	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	standard polar	2025-10-24	2314.64
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_54	CC(=O)N([C@@H]1[C@@H](O)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	standard polar	2025-10-24	1713.35
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_55	CC(=O)N([C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	standard polar	2025-10-24	2184.83
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_56	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	standard polar	2025-10-24	2029.59
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_57	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	standard polar	2025-10-24	1718.91
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_58	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO	standard polar	2025-10-24	2439.51
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_59	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	standard polar	2025-10-24	3131.01
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_60	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-24	3163.9
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_61	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	standard polar	2025-10-24	3960.73
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_62	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	standard polar	2025-10-24	1636.01
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_63	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	standard polar	2025-10-24	552.929
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_64	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	standard polar	2025-10-24	1674.27
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_65	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO	standard polar	2025-10-24	4273.97
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_66	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	standard polar	2025-10-24	2245.05
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_67	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-24	1473.97
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_68	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	standard polar	2025-10-24	693.134
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_69	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	standard polar	2025-10-24	2167.19
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_70	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	standard polar	2025-10-24	1333.63
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_71	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	standard polar	2025-10-24	1147.63
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_72	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	standard polar	2025-10-24	-277.899
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_73	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-24	2907.75
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_74	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	standard polar	2025-10-24	1239.26
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_75	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO	standard polar	2025-10-24	1528.37
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_76	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO	standard polar	2025-10-24	2331.0
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_77	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	standard polar	2025-10-24	1012.55
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_78	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-24	836.886
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_79	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	standard polar	2025-10-24	2315.78
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_80	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	standard polar	2025-10-24	1611.21
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_81	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	standard polar	2025-10-24	1809.21
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_82	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO)[Si](C)(C)C	standard polar	2025-10-24	441.963
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_83	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1622.21
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_84	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-24	1736.85
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_85	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-24	2254.02
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_86	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	1712.44
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_87	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	standard polar	2025-10-24	1770.4
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_88	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	standard polar	2025-10-24	2806.38
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_89	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	2655.96
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_90	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	standard polar	2025-10-24	2323.14
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_91	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	standard polar	2025-10-24	1418.35
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_92	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	standard polar	2025-10-24	2488.56
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_93	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	standard polar	2025-10-24	1400.21
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_94	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO	standard polar	2025-10-24	1385.34
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_95	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	standard polar	2025-10-24	1347.75
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_96	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-24	1851.06
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_97	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	standard polar	2025-10-24	3210.92
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_98	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	standard polar	2025-10-24	3077.83
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_99	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	standard polar	2025-10-24	2581.42
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_100	CC(=O)N([C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	standard polar	2025-10-24	2910.56
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_101	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	standard polar	2025-10-24	1090.04
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_102	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-24	2577.49
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_103	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	standard polar	2025-10-24	2313.61
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_104	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO	standard polar	2025-10-24	410.95
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_105	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO	standard polar	2025-10-24	1956.01
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_106	CC(=O)N([C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	standard polar	2025-10-24	1555.67
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_107	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-24	2127.32
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_108	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	standard polar	2025-10-24	2679.95
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_109	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	standard polar	2025-10-24	1865.63
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_110	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	standard polar	2025-10-24	2357.22
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_111	CC(=O)N([C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO)[Si](C)(C)C	standard polar	2025-10-24	2232.64
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_112	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1857.27
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_113	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-24	2396.31
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_114	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-24	1868.83
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_115	CC(=O)N([C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	2945.84
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_116	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	standard polar	2025-10-24	3174.24
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_117	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	standard polar	2025-10-24	226.043
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_118	CC(=O)N([C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	1898.24
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_119	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	standard polar	2025-10-24	2268.49
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_120	CC(=O)N([C@@H]1[C@@H](O)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	standard polar	2025-10-24	1102.06
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_121	CC(=O)N([C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	standard polar	2025-10-24	1923.86
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_122	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	standard polar	2025-10-24	1774.59
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_123	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	standard polar	2025-10-24	2614.27
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_124	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-24	3389.41
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_125	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	standard polar	2025-10-24	2478.44
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_126	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO	standard polar	2025-10-24	1534.89
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_127	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO	standard polar	2025-10-24	278.495
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_128	CC(=O)N([C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	standard polar	2025-10-24	1597.29
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_129	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-24	1902.16
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_130	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	standard polar	2025-10-24	1668.53
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_131	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	standard polar	2025-10-24	3209.39
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_132	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	standard polar	2025-10-24	1136.11
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_133	CC(=O)N([C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO)[Si](C)(C)C	standard polar	2025-10-24	1821.54
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_134	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2673.14
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_135	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-24	1112.62
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_136	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-24	1843.74
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_137	CC(=O)N([C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	3398.67
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_138	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	standard polar	2025-10-24	792.491
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_139	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	standard polar	2025-10-24	2834.13
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_140	CC(=O)N([C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	3635.53
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_141	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	standard polar	2025-10-24	2570.0
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_142	CC(=O)N([C@@H]1[C@@H](O)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	standard polar	2025-10-24	1330.26
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_143	CC(=O)N([C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	standard polar	2025-10-24	1893.21
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_144	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	standard polar	2025-10-24	1337.79
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_145	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-24	1479.39
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_146	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	standard polar	2025-10-24	1837.63
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_147	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	standard polar	2025-10-24	-59.6705
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_148	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	standard polar	2025-10-24	2026.6
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_149	CC(=O)N([C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO)[Si](C)(C)C	standard polar	2025-10-24	890.934
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_150	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	905.635
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_151	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-24	2035.2
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_152	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-24	2118.66
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_153	CC(=O)N([C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	1909.3
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_154	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	standard polar	2025-10-24	3548.5
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_155	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	standard polar	2025-10-24	2074.17
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_156	CC(=O)N([C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	2182.8
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_157	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO	standard polar	2025-10-24	1480.21
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_158	CC(=O)N([C@@H]1[C@@H](O)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	standard polar	2025-10-24	570.359
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_159	CC(=O)N([C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	standard polar	2025-10-24	1885.57
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_160	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO	standard polar	2025-10-24	2023.97
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_161	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2669.25
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_162	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-24	604.655
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_163	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-24	1934.91
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_164	CC(=O)N([C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	2169.44
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_165	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	standard polar	2025-10-24	2472.42
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_166	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	standard polar	2025-10-24	3318.64
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_167	CC(=O)N([C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	985.606
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_168	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	standard polar	2025-10-24	2720.56
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_169	CC(=O)N([C@@H]1[C@@H](O)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO)[Si](C)(C)C	standard polar	2025-10-24	2433.6
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_170	CC(=O)N([C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO)[Si](C)(C)C	standard polar	2025-10-24	1003.2
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_171	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	standard polar	2025-10-24	2127.83
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_172	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1518.78
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_173	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1643.84
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_174	CC(=O)N([C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	2536.74
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_175	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-24	2117.51
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_176	CC(=O)N([C@@H]1[C@@H](O)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	2020.34
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_177	CC(=O)N([C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	1682.02
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_178	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-24	393.769
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_179	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	standard polar	2025-10-24	2776.84
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_180	CC(=O)N([C@@H]1[C@@H](O)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	554.298
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_181	CC(=O)N([C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	standard polar	2025-10-24	1975.09
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_182	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	standard polar	2025-10-24	2183.31
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_183	CC(=O)N([C@@H]1[C@@H](O)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	standard polar	2025-10-24	2898.39
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_184	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	standard polar	2025-10-24	2451.36
Gas Chromatography	Cytidine 5'-monophosphate-N-acetylneuraminic acid_TMS_185	CC(=O)N([C@@H]1[C@@H](O)C[C@@](OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	standard polar	2025-10-24	1705.2

Biological Properties

Cellular Locations

Cytoplasm
Golgi apparatus
Nucleus

Biospecimen Locations

Feces
Placenta

Tissue Locations

Placenta

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species
MMDBp0191878	CMP-N-acetylneuraminate-beta-1,4-galactoside alpha-2,3-sialyltransferase	Enzyme	Q11203	Homo sapiens
MMDBp0191941	Alpha-N-acetylneuraminide alpha-2,8-sialyltransferase	Enzyme	Q92185	Homo sapiens
MMDBp0192066	N-acylneuraminate cytidylyltransferase	Enzyme	Q8NFW8	Homo sapiens
MMDBp0192393	Lactosylceramide alpha-2,3-sialyltransferase	Enzyme	Q9UNP4	Homo sapiens
MMDBp0192394	Type 2 lactosamine alpha-2,3-sialyltransferase	Enzyme	Q9Y274	Homo sapiens
MMDBp0193454	CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 1	Enzyme	Q11201	Homo sapiens
MMDBp0193825	CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 4	Enzyme	Q11206	Homo sapiens
MMDBp0196030	Alpha-N-acetyl-neuraminyl-2,3-beta-galactosyl-1,3-N-acetyl-galactosaminide alpha-2,6-sialyltransferase	Enzyme	Q9H4F1	Homo sapiens
MMDBp0196968	CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 2	Unknown	Q16842
MMDBp0196969	Alpha-N-acetylgalactosaminide alpha-2,6-sialyltransferase 1	Unknown	Q9NSC7
MMDBp0196970	Alpha-N-acetylgalactosaminide alpha-2,6-sialyltransferase 2	Unknown	Q9UJ37
MMDBp0196971	Alpha-N-acetylgalactosaminide alpha-2,6-sialyltransferase 3	Unknown	Q8NDV1
MMDBp0196972	Beta-galactoside alpha-2,6-sialyltransferase 1	Unknown	P15907
MMDBp0196973	Beta-galactoside alpha-2,6-sialyltransferase 2	Unknown	Q96JF0

Human Pathways

Pathways

Name	SMPDB/PathBank

Microbial Pathways

Pathways

Not Available

Metabolic Reactions

Reactions

This table shows at most 20 reactions. For the full list of associated reactions:

See All Associated Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria/Eubacteria	Firmicutes	83	Human feces; Human pleural fluid plaque; Human	Metabolic reconstruction
Bacteria/Eubacteria	Proteobacteria	48	Human feces; Human sputum; Pig ; Human ; Human feces; pleural fluid plaque; bal	Metabolic reconstruction
Bacteria/Eubacteria	Actinobacteria	20	Human feces; Human sputum; Human bronchial brush; Human nasopharyngeal swab; Human ; Human mucosa; Human saliva	Metabolic reconstruction
Bacteria/Eubacteria	Synergistetes	1	Human feces	Metabolic reconstruction
Bacteria/Eubacteria	Bacteroidetes	50	Human feces; Human ; Human saliva	Metabolic reconstruction
Bacteria/Eubacteria	Fusobacteria	8	Human feces	Metabolic reconstruction
Bacteria/Eubacteria	Candidatus melainabacteria	1	Human feces	Metabolic reconstruction
Archaea	Euryarchaeota	2		Metabolic reconstruction
Bacteria/Eubacteria	Planctomycetes	1	Human feces	Metabolic reconstruction
Bacteria	Synergistetes	1	Human feces	Metabolic reconstruction

Exposure Sources

Other Exposures

Source Type	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference
Human Feces	Detected but not Quantified									HMDB
Human Placenta	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597

External Links

HMDB ID

HMDB0001176

DrugBank ID

DB02485

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB022466

KNApSAcK ID

Not Available

Chemspider ID

395082

KEGG Compound ID

C00128

BioCyc ID

Not Available

BiGG ID

33954

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

448209

PDB ID

Not Available

ChEBI ID

16556

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Hurh S, Kang B, Choi I, Cho B, Lee EM, Kim H, Kim YJ, Chung YS, Jeong JC, Hwang JI, Kim JY, Lee BC, Surh CD, Yang J, Ahn C: Human antibody reactivity against xenogeneic N-glycolylneuraminic acid and galactose-alpha-1,3-galactose antigen. Xenotransplantation. 2016 Jul;23(4):279-92. doi: 10.1111/xen.12239. Epub 2016 Jul 4. [PubMed:27373998 ]
Elshenawy S, Pinney SE, Stuart T, Doulias PT, Zura G, Parry S, Elovitz MA, Bennett MJ, Bansal A, Strauss JF 3rd, Ischiropoulos H, Simmons RA: The Metabolomic Signature of the Placenta in Spontaneous Preterm Birth. Int J Mol Sci. 2020 Feb 4;21(3). pii: ijms21031043. doi: 10.3390/ijms21031043. [PubMed:32033212 ]

Showing metabocard for Cytidine 5'-monophosphate-N-acetylneuraminic acid (MMDBc0047922)

MOL for #<Metabolite:0x00007f9ab51cdc50>

3D MOL for #<Metabolite:0x00007f9ab51cdc50>

3D SDF for #<Metabolite:0x00007f9ab51cdc50>

3D-SDF for #<Metabolite:0x00007f9ab51cdc50>

PDB for #<Metabolite:0x00007f9ab51cdc50>

3D PDB for #<Metabolite:0x00007f9ab51cdc50>

SMILES for #<Metabolite:0x00007f9ab51cdc50>

INCHI for #<Metabolite:0x00007f9ab51cdc50>

Structure for #<Metabolite:0x00007f9ab51cdc50>

3D Structure for #<Metabolite:0x00007f9ab51cdc50>