MiMeDB: Showing metabocard for ADP-D-Glycero-D-manno-heptose (MMDBc0030035)

Microbial

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-17 23:51:28 UTC

Update Date

2022-08-31 17:38:54 UTC

Metabolite ID

MMDBc0030035

Metabolite Identification

Common Name

ADP-D-Glycero-D-manno-heptose

Description

ADP-D-glycero-D-manno-heptose is a member of the chemical class known as Purine Nucleotide Sugars. These are purine nucleotides bound to a saccharide derivative through the terminal phosphate group. ADP-L-glycero-D-manno-heptose is the lipopolysaccharide core precursor.

Structure

MOL SDF PDB SMILES InChI


  Mrv0541 10231212422D          

 50 53  0  0  0  0            999 V2000
   -3.4743   -8.0210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5683   -1.4940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8069   -7.5361    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0992   -1.0091    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9233    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8838   -1.2640    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.7330   -5.5596    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.6468   -6.3800    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3687   -0.5966    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.0656   -5.0746    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8931   -6.7156    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6378    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8838    0.0709    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3119   -5.4102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    3.1729    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    1.9354    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.6979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    2.1904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    0.8555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3881   -8.8415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0532   -7.8716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -2.0486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4867   -5.2240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3142   -6.8650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1937   -0.5966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1518   -4.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6344   -2.1319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6646   -3.4668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5512   -4.1910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9102   -4.0186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4820   -2.3145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0992   -0.1841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2257   -6.2307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6444   -4.9253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8169   -3.2843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1495   -2.7994    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7307   -4.1048    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6298   -7.4785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4991   -1.7306    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5351   -2.0117    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1943   -6.2435    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4698   -6.3225    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7432   -1.3316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8192   -4.7391    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6861   -6.9430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6986    0.1999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3981   -4.5897    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  1  0  0  0
  8  6  1  0  0  0  0
 10  9  1  0  0  0  0
 11  8  1  0  0  0  0
 12  9  1  0  0  0  0
 13  5  1  6  0  0  0
 13 10  1  0  0  0  0
 14  7  2  0  0  0  0
 15  7  1  0  0  0  0
 16 11  1  0  0  0  0
 17 12  1  0  0  0  0
 18 14  1  0  0  0  0
 19  3  2  0  0  0  0
 19 14  1  0  0  0  0
 20  3  1  0  0  0  0
 20 15  2  0  0  0  0
 21  4  2  0  0  0  0
 21  7  1  0  0  0  0
 22  4  1  0  0  0  0
 22 15  1  0  0  0  0
 16 22  1  1  0  0  0
 23  1  1  0  0  0  0
  5 24  1  1  0  0  0
  8 25  1  6  0  0  0
  9 26  1  6  0  0  0
 10 27  1  1  0  0  0
 11 28  1  6  0  0  0
 12 29  1  6  0  0  0
 34  2  1  0  0  0  0
 35  6  1  0  0  0  0
 35 16  1  0  0  0  0
 36 13  1  0  0  0  0
 36 17  1  0  0  0  0
 37 17  1  0  0  0  0
 39 30  1  0  0  0  0
 39 31  2  0  0  0  0
 39 34  1  0  0  0  0
 39 38  1  0  0  0  0
 40 32  1  0  0  0  0
 40 33  2  0  0  0  0
 40 37  1  0  0  0  0
 40 38  1  0  0  0  0
  5 41  1  1  0  0  0
  6 42  1  6  0  0  0
  8 43  1  1  0  0  0
  9 44  1  1  0  0  0
 10 45  1  6  0  0  0
 11 46  1  1  0  0  0
 12 47  1  1  0  0  0
 13 48  1  1  0  0  0
 16 49  1  6  0  0  0
 50 17  1  0  0  0  0
M  END


  Mrv0541 10231212422D          

 50 53  0  0  0  0            999 V2000
   -3.4743   -8.0210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5683   -1.4940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8069   -7.5361    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0992   -1.0091    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9233    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8838   -1.2640    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.7330   -5.5596    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.6468   -6.3800    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3687   -0.5966    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.0656   -5.0746    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8931   -6.7156    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6378    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8838    0.0709    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3119   -5.4102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    3.1729    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    1.9354    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.6979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    2.1904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    0.8555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3881   -8.8415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0532   -7.8716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -2.0486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4867   -5.2240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3142   -6.8650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1937   -0.5966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1518   -4.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6344   -2.1319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6646   -3.4668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5512   -4.1910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9102   -4.0186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4820   -2.3145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0992   -0.1841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2257   -6.2307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6444   -4.9253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8169   -3.2843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1495   -2.7994    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7307   -4.1048    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6298   -7.4785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4991   -1.7306    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5351   -2.0117    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1943   -6.2435    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4698   -6.3225    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7432   -1.3316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8192   -4.7391    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6861   -6.9430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6986    0.1999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3981   -4.5897    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  1  0  0  0
  8  6  1  0  0  0  0
 10  9  1  0  0  0  0
 11  8  1  0  0  0  0
 12  9  1  0  0  0  0
 13  5  1  6  0  0  0
 13 10  1  0  0  0  0
 14  7  2  0  0  0  0
 15  7  1  0  0  0  0
 16 11  1  0  0  0  0
 17 12  1  0  0  0  0
 18 14  1  0  0  0  0
 19  3  2  0  0  0  0
 19 14  1  0  0  0  0
 20  3  1  0  0  0  0
 20 15  2  0  0  0  0
 21  4  2  0  0  0  0
 21  7  1  0  0  0  0
 22  4  1  0  0  0  0
 22 15  1  0  0  0  0
 16 22  1  1  0  0  0
 23  1  1  0  0  0  0
  5 24  1  1  0  0  0
  8 25  1  6  0  0  0
  9 26  1  6  0  0  0
 10 27  1  1  0  0  0
 11 28  1  6  0  0  0
 12 29  1  6  0  0  0
 34  2  1  0  0  0  0
 35  6  1  0  0  0  0
 35 16  1  0  0  0  0
 36 13  1  0  0  0  0
 36 17  1  0  0  0  0
 37 17  1  0  0  0  0
 39 30  1  0  0  0  0
 39 31  2  0  0  0  0
 39 34  1  0  0  0  0
 39 38  1  0  0  0  0
 40 32  1  0  0  0  0
 40 33  2  0  0  0  0
 40 37  1  0  0  0  0
 40 38  1  0  0  0  0
  5 41  1  1  0  0  0
  6 42  1  6  0  0  0
  8 43  1  1  0  0  0
  9 44  1  1  0  0  0
 10 45  1  6  0  0  0
 11 46  1  1  0  0  0
 12 47  1  1  0  0  0
 13 48  1  1  0  0  0
 16 49  1  6  0  0  0
 50 17  1  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0030035

> <DATABASE_NAME>
MIME

> <SMILES>
[H][C@@](O)(CO)[C@@]1([H])OC([H])(OP(O)(=O)OP(O)(=O)OC[C@@]2([H])O[C@@]([H])(N3C=NC4=C(N)N=CN=C34)[C@]([H])(O)[C@]2([H])O)[C@@]([H])(O)[C@@]([H])(O)[C@]1([H])O

> <INCHI_IDENTIFIER>
InChI=1S/C17H27N5O16P2/c18-14-7-15(20-3-19-14)22(4-21-7)16-11(28)8(25)6(35-16)2-34-39(30,31)38-40(32,33)37-17-12(29)9(26)10(27)13(36-17)5(24)1-23/h3-6,8-13,16-17,23-29H,1-2H2,(H,30,31)(H,32,33)(H2,18,19,20)/t5-,6-,8-,9+,10+,11-,12+,13-,16-,17?/m1/s1

> <INCHI_KEY>
KMSFWBYFWSKGGR-RQWOTHMISA-N

> <FORMULA>
C17H27N5O16P2

> <MOLECULAR_WEIGHT>
619.3677

> <EXACT_MASS>
619.092802865

> <JCHEM_ACCEPTOR_COUNT>
17

> <JCHEM_AVERAGE_POLARIZABILITY>
52.501108062417224

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
10

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({[(3S,4S,5S,6R)-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy})phosphinic acid

> <ALOGPS_LOGP>
-1.81

> <JCHEM_LOGP>
-8.038258147170092

> <ALOGPS_LOGS>
-2.02

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
2.6346015412797454

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.7329410523547581

> <JCHEM_PKA_STRONGEST_BASIC>
4.995083454548712

> <JCHEM_POLAR_SURFACE_AREA>
331.98

> <JCHEM_REFRACTIVITY>
123.04829999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.91e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
{[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy[(3S,4S,5S,6R)-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxyphosphinic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 23-OCT-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-OCT-12         0                                  
HETATM    1  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   18  N   UNK     0       0.000   0.000   0.000  0.00  0.00           N+0
HETATM   19  N   UNK     0       0.000   0.000   0.000  0.00  0.00           N+0
HETATM   20  N   UNK     0       0.000   0.000   0.000  0.00  0.00           N+0
HETATM   21  N   UNK     0       0.000   0.000   0.000  0.00  0.00           N+0
HETATM   22  N   UNK     0       0.000   0.000   0.000  0.00  0.00           N+0
HETATM   23  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   39  P   UNK     0       0.000   0.000   0.000  0.00  0.00           P+0
HETATM   40  P   UNK     0       0.000   0.000   0.000  0.00  0.00           P+0
HETATM   41  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
HETATM   42  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
HETATM   43  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
HETATM   44  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
HETATM   45  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
HETATM   46  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
HETATM   47  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
HETATM   48  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
HETATM   49  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
HETATM   50  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
CONECT    1    5   23                                                       
CONECT    2    6   34                                                       
CONECT    3   19   20                                                       
CONECT    4   21   22                                                       
CONECT    5    1   13   24   41                                             
CONECT    6    2    8   35   42                                             
CONECT    7   14   15   21                                                  
CONECT    8    6   11   25   43                                             
CONECT    9   10   12   26   44                                             
CONECT   10    9   13   27   45                                             
CONECT   11    8   16   28   46                                             
CONECT   12    9   17   29   47                                             
CONECT   13    5   10   36   48                                             
CONECT   14    7   18   19                                                  
CONECT   15    7   20   22                                                  
CONECT   16   11   22   35   49                                             
CONECT   17   12   36   37   50                                             
CONECT   18   14                                                            
CONECT   19    3   14                                                       
CONECT   20    3   15                                                       
CONECT   21    4    7                                                       
CONECT   22    4   15   16                                                  
CONECT   23    1                                                            
CONECT   24    5                                                            
CONECT   25    8                                                            
CONECT   26    9                                                            
CONECT   27   10                                                            
CONECT   28   11                                                            
CONECT   29   12                                                            
CONECT   30   39                                                            
CONECT   31   39                                                            
CONECT   32   40                                                            
CONECT   33   40                                                            
CONECT   34    2   39                                                       
CONECT   35    6   16                                                       
CONECT   36   13   17                                                       
CONECT   37   17   40                                                       
CONECT   38   39   40                                                       
CONECT   39   30   31   34   38                                             
CONECT   40   32   33   37   38                                             
CONECT   41    5                                                            
CONECT   42    6                                                            
CONECT   43    8                                                            
CONECT   44    9                                                            
CONECT   45   10                                                            
CONECT   46   11                                                            
CONECT   47   12                                                            
CONECT   48   13                                                            
CONECT   49   16                                                            
CONECT   50   17                                                            
MASTER        0    0    0    0    0    0    0    0   50    0  106    0
END

Synonyms

Not Available

Molecular Formula

C₁₇H₂₇N₅O₁₆P₂

Average Mass

619.3677

Monoisotopic Mass

619.092802865

IUPAC Name

[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({[(3S,4S,5S,6R)-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy})phosphinic acid

Traditional Name

{[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy[(3S,4S,5S,6R)-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxyphosphinic acid

CAS Registry Number

Not Available

SMILES

[H][C@@](O)(CO)[C@@]1([H])OC([H])(OP(O)(=O)OP(O)(=O)OC[C@@]2([H])O[C@@]([H])(N3C=NC4=C(N)N=CN=C34)[C@]([H])(O)[C@]2([H])O)[C@@]([H])(O)[C@@]([H])(O)[C@]1([H])O

InChI Identifier

InChI=1S/C17H27N5O16P2/c18-14-7-15(20-3-19-14)22(4-21-7)16-11(28)8(25)6(35-16)2-34-39(30,31)38-40(32,33)37-17-12(29)9(26)10(27)13(36-17)5(24)1-23/h3-6,8-13,16-17,23-29H,1-2H2,(H,30,31)(H,32,33)(H2,18,19,20)/t5-,6-,8-,9+,10+,11-,12+,13-,16-,17?/m1/s1

InChI Key

KMSFWBYFWSKGGR-RQWOTHMISA-N

Chemical Taxonomy

Description

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

Kingdom

Organic compounds

Super Class

Nucleosides, nucleotides, and analogues

Class

Purine nucleotides

Sub Class

Purine nucleotide sugars

Direct Parent

Purine nucleotide sugars

Alternative Parents

Substituents

Purine nucleotide sugar
Purine ribonucleoside diphosphate
Purine ribonucleoside monophosphate
Pentose phosphate
Pentose-5-phosphate
Glycosyl compound
N-glycosyl compound
6-aminopurine
Monosaccharide phosphate
Organic pyrophosphate
Imidazopyrimidine
Purine
Aminopyrimidine
Monoalkyl phosphate
Monosaccharide
N-substituted imidazole
Organic phosphoric acid derivative
Oxane
Phosphoric acid ester
Imidolactam
Alkyl phosphate
Pyrimidine
Tetrahydrofuran
Azole
Imidazole
Heteroaromatic compound
Secondary alcohol
Organoheterocyclic compound
Azacycle
Polyol
Oxacycle
Organic oxide
Organic nitrogen compound
Alcohol
Hydrocarbon derivative
Amine
Organonitrogen compound
Primary alcohol
Primary amine
Organooxygen compound
Organopnictogen compound
Organic oxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

ADP-glycero-D-manno-heptose (CHEBI:16693 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	5.91 g/L	ALOGPS
logP	-1.8	ALOGPS
logP	-8	ChemAxon
logS	-2	ALOGPS
pKa (Strongest Acidic)	1.73	ChemAxon
pKa (Strongest Basic)	5	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	17	ChemAxon
Hydrogen Donor Count	10	ChemAxon
Polar Surface Area	331.98 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	123.05 m³·mol⁻¹	ChemAxon
Polarizability	52.5 Å³	ChemAxon
Number of Rings	4	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 (TMS_3_48) - 70eV, Positive	Not Available	2022-08-08	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-000i-0910502000-8c3562506ded6f437c8a	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-000i-0910000000-2624f0a80c52e6957690	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-000i-2900000000-bede1fb56b90862d8f7f	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0api-4901245000-42682d865153e9fc153e	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-001i-2901000000-baf9b8dcb69cf8da70fe	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0563-3900000000-135806b9f5fcb9949d51	2015-09-15	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-18	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)	2025-10-23	738.7
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-23	545.4
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (void)	2025-10-23	108.8
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-23	311.4
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-23	384.5
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (eluted)	2025-10-23	246.9
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	744.5
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	935.9
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-23	965.9
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	154.9
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	500.1
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	177.5
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	21.9
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	610.7
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	893.9
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-23	94.7
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	323.0
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-23	766.9
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-23	620.0

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_1	C[Si](C)(C)O[C@H](CO)[C@H]1OC(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	107.187
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_2	C[Si](C)(C)OC[C@@H](O)[C@H]1OC(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	3003.83
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_3	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OC2O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O)O[C@H]1N1C=NC2=C(N)N=CN=C21	standard non polar	2025-10-23	1733.77
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_4	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OC2O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	standard non polar	2025-10-23	1139.15
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_5	C[Si](C)(C)O[C@@H]1C(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[C@H]([C@H](O)CO)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	1357.93
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_6	C[Si](C)(C)O[C@@H]1[C@H](O)C(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[C@H]([C@H](O)CO)[C@H]1O	standard non polar	2025-10-23	2395.67
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_7	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)C(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[C@@H]1[C@H](O)CO	standard non polar	2025-10-23	1968.84
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_8	C[Si](C)(C)OP(=O)(OC1O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O	standard non polar	2025-10-23	2223.73
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_9	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)OP(=O)(O)OC1O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O	standard non polar	2025-10-23	1638.33
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_10	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC2O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O	standard non polar	2025-10-23	2304.56
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_11	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H]1OC(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	1649.91
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_12	C[Si](C)(C)O[C@H](CO)[C@H]1OC(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	2140.05
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_13	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OC2O[C@H]([C@@H](CO)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	standard non polar	2025-10-23	2281.4
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_14	C[Si](C)(C)O[C@@H]1C(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[C@H]([C@@H](CO)O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	2435.55
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_15	C[Si](C)(C)O[C@@H]1[C@H](O)C(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[C@H]([C@@H](CO)O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-23	2218.8
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_16	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)C(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[C@@H]1[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-23	2051.1
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_17	C[Si](C)(C)O[C@H](CO)[C@H]1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	686.149
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_18	C[Si](C)(C)O[C@H](CO)[C@H]1OC(OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	550.292
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_19	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC2O[C@H]([C@@H](CO)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O	standard non polar	2025-10-23	1695.91
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_20	C[Si](C)(C)OC[C@@H](O)[C@H]1OC(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	1900.65
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_21	C[Si](C)(C)OC[C@@H](O)[C@H]1OC(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	1752.28
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_22	C[Si](C)(C)OC[C@@H](O)[C@H]1OC(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	2810.05
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_23	C[Si](C)(C)OC[C@@H](O)[C@H]1OC(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-23	1420.5
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_24	C[Si](C)(C)OC[C@@H](O)[C@H]1OC(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1524.38
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_25	C[Si](C)(C)OC[C@@H](O)[C@H]1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	1897.39
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_26	C[Si](C)(C)OC[C@@H](O)[C@H]1OC(OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	1116.14
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_27	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC2O[C@H]([C@H](O)CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O	standard non polar	2025-10-23	2943.4
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_28	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OC2O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	3683.25
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_29	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)C(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@@H]1[C@H](O)CO	standard non polar	2025-10-23	1158.71
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_30	C[Si](C)(C)O[C@@H]1[C@H](O)C(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@H]([C@H](O)CO)[C@H]1O	standard non polar	2025-10-23	1017.46
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_31	C[Si](C)(C)O[C@@H]1C(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@H]([C@H](O)CO)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	2307.52
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_32	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC2O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O)O[C@H]1N1C=NC2=C(N)N=CN=C21	standard non polar	2025-10-23	2347.56
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_33	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(OC2O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21	standard non polar	2025-10-23	2527.14
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_34	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC2O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2298.56
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_35	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OC2O[C@H]([C@H](O)CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	standard non polar	2025-10-23	1428.17
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_36	C[Si](C)(C)O[C@@H]1[C@H](O)C(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)O[C@H]([C@H](O)CO)[C@H]1O	standard non polar	2025-10-23	1874.28
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_37	C[Si](C)(C)O[C@@H]1C(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)O[C@H]([C@H](O)CO)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	1025.8
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_38	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC2O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	standard non polar	2025-10-23	1871.83
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_39	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(OC2O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	standard non polar	2025-10-23	1235.59
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_40	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC2O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-23	1620.69
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_41	C[Si](C)(C)O[C@@H]1C(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[C@H]([C@H](O)CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-23	1011.22
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_42	C[Si](C)(C)O[C@@H]1C(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[C@H]([C@H](O)CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1999.83
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_43	C[Si](C)(C)O[C@@H]1C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[C@H]([C@H](O)CO)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	65.8895
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_44	C[Si](C)(C)O[C@@H]1C(OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@H]([C@H](O)CO)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	2020.04
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_45	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC2O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard non polar	2025-10-23	1456.45
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_46	C[Si](C)(C)O[C@@H]1[C@H](O)C(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[C@H]([C@H](O)CO)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	982.78
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_47	C[Si](C)(C)O[C@@H]1[C@H](O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[C@H]([C@H](O)CO)[C@H]1O	standard non polar	2025-10-23	1881.16
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_48	C[Si](C)(C)O[C@@H]1[C@H](O)C(OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@H]([C@H](O)CO)[C@H]1O	standard non polar	2025-10-23	2153.84
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_49	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC2O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@H]1O	standard non polar	2025-10-23	1403.87
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_50	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[C@@H]1[C@H](O)CO	standard non polar	2025-10-23	1573.27
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_51	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)C(OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@@H]1[C@H](O)CO	standard non polar	2025-10-23	1925.54
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_52	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC2O[C@H]([C@H](O)CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O	standard non polar	2025-10-23	1408.69
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_53	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)OP(=O)(OC1O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O)O[Si](C)(C)C	standard non polar	2025-10-23	1168.55
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_54	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(OC2O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard non polar	2025-10-23	899.863
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_55	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC2O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O	standard non polar	2025-10-23	1512.38
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_56	C[Si](C)(C)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC2O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O)[Si](C)(C)C	standard non polar	2025-10-23	1105.08
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_57	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H]1OC(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	1405.29
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_58	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H]1OC(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	1107.98
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_59	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H]1OC(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	557.287
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_60	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H]1OC(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-23	1897.25
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_61	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H]1OC(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2103.43
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_62	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H]1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	3333.27
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_63	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H]1OC(OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	1768.08
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_64	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC2O[C@H]([C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O	standard non polar	2025-10-23	1298.26
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_65	C[Si](C)(C)O[C@H](CO)[C@H]1OC(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	1377.11
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_66	C[Si](C)(C)O[C@@H]1C(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@H]([C@@H](CO)O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	2036.86
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_67	C[Si](C)(C)O[C@@H]1[C@H](O)C(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@H]([C@@H](CO)O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-23	2155.7
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_68	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)C(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@@H]1[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-23	3444.96
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_69	C[Si](C)(C)O[C@H](CO)[C@H]1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	2663.45
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_70	C[Si](C)(C)O[C@H](CO)[C@H]1OC(OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	2288.54
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_71	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC2O[C@H]([C@@H](CO)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2906.97
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_72	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OC2O[C@H]([C@@H](CO)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	standard non polar	2025-10-23	1455.24
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_73	C[Si](C)(C)O[C@@H]1[C@H](O)C(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)O[C@H]([C@@H](CO)O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-23	2013.72
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_74	C[Si](C)(C)O[C@@H]1C(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)O[C@H]([C@@H](CO)O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	1006.83
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_75	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC2O[C@H]([C@@H](CO)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	standard non polar	2025-10-23	2444.03
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_76	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(OC2O[C@H]([C@@H](CO)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	standard non polar	2025-10-23	2901.94
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_77	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC2O[C@H]([C@@H](CO)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-23	2182.43
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_78	C[Si](C)(C)O[C@@H]1C(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[C@H]([C@@H](CO)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-23	2301.45
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_79	C[Si](C)(C)O[C@@H]1C(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[C@H]([C@@H](CO)O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	652.143
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_80	C[Si](C)(C)O[C@@H]1C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[C@H]([C@@H](CO)O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	2202.3
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_81	C[Si](C)(C)O[C@@H]1C(OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@H]([C@@H](CO)O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	2303.95
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_82	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC2O[C@H]([C@@H](CO)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard non polar	2025-10-23	2149.57
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_83	C[Si](C)(C)O[C@H](CO)[C@H]1OC(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1364.72
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_84	C[Si](C)(C)O[C@@H]1[C@H](O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[C@H]([C@@H](CO)O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-23	941.694
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_85	C[Si](C)(C)O[C@@H]1[C@H](O)C(OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@H]([C@@H](CO)O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-23	363.432
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_86	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC2O[C@H]([C@@H](CO)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@H]1O	standard non polar	2025-10-23	2920.51
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_87	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[C@@H]1[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-23	3350.1
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_88	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)C(OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@@H]1[C@@H](CO)O[Si](C)(C)C	standard non polar	2025-10-23	2280.55
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_89	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC2O[C@H]([C@@H](CO)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O	standard non polar	2025-10-23	864.593
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_90	C[Si](C)(C)O[C@H](CO)[C@H]1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	1312.23
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_91	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(OC2O[C@H]([C@@H](CO)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard non polar	2025-10-23	1767.44
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_92	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC2O[C@H]([C@@H](CO)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O	standard non polar	2025-10-23	3358.1
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_93	C[Si](C)(C)O[C@H](CO)[C@H]1OC(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	1087.11
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_94	C[Si](C)(C)OC[C@@H](O)[C@H]1OC(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	2615.87
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_95	C[Si](C)(C)OC[C@@H](O)[C@H]1OC(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	1166.19
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_96	C[Si](C)(C)OC[C@@H](O)[C@H]1OC(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-23	1065.7
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_97	C[Si](C)(C)OC[C@@H](O)[C@H]1OC(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	279.907
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_98	C[Si](C)(C)OC[C@@H](O)[C@H]1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	703.729
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_99	C[Si](C)(C)OC[C@@H](O)[C@H]1OC(OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	2843.8
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_100	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC2O[C@H]([C@H](O)CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2634.21
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_101	C[Si](C)(C)OC[C@@H](O)[C@H]1OC(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	1190.91
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_102	C[Si](C)(C)OC[C@@H](O)[C@H]1OC(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-23	752.206
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_103	C[Si](C)(C)OC[C@@H](O)[C@H]1OC(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2142.81
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_104	C[Si](C)(C)OC[C@@H](O)[C@H]1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	1230.36
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_105	C[Si](C)(C)OC[C@@H](O)[C@H]1OC(OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	923.746
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_106	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC2O[C@H]([C@H](O)CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-23	1911.84
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_107	C[Si](C)(C)OC[C@@H](O)[C@H]1OC(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-23	1121.38
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_108	C[Si](C)(C)OC[C@@H](O)[C@H]1OC(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2190.83
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_109	C[Si](C)(C)OC[C@@H](O)[C@H]1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	2178.1
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_110	C[Si](C)(C)OC[C@@H](O)[C@H]1OC(OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	1876.78
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_111	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC2O[C@H]([C@H](O)CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard non polar	2025-10-23	1463.57
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_112	C[Si](C)(C)OC[C@@H](O)[C@H]1OC(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	3492.52
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_113	C[Si](C)(C)OC[C@@H](O)[C@H]1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-23	1648.0
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_114	C[Si](C)(C)OC[C@@H](O)[C@H]1OC(OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-23	1558.31
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_115	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC2O[C@H]([C@H](O)CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@H]1O	standard non polar	2025-10-23	-43.3265
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_116	C[Si](C)(C)OC[C@@H](O)[C@H]1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1576.83
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_117	C[Si](C)(C)OC[C@@H](O)[C@H]1OC(OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1121.96
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_118	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC2O[C@H]([C@H](O)CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O	standard non polar	2025-10-23	100.365
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_119	C[Si](C)(C)OC[C@@H](O)[C@H]1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	1639.51
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_120	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(OC2O[C@H]([C@H](O)CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard non polar	2025-10-23	1538.71
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_121	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC2O[C@H]([C@H](O)CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O	standard non polar	2025-10-23	2197.11
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_122	C[Si](C)(C)OC[C@@H](O)[C@H]1OC(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	2342.42
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_123	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)C(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)O[C@@H]1[C@H](O)CO	standard non polar	2025-10-23	768.404
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_124	C[Si](C)(C)O[C@@H]1[C@H](O)C(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)O[C@H]([C@H](O)CO)[C@H]1O	standard non polar	2025-10-23	3633.45
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_125	C[Si](C)(C)O[C@@H]1C(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)O[C@H]([C@H](O)CO)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	1696.66
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_126	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC2O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1273.06
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_127	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(OC2O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1833.26
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_128	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC2O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2040.8
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_129	C[Si](C)(C)O[C@@H]1[C@H](O)C(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@H]([C@H](O)CO)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	3122.63
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_130	C[Si](C)(C)O[C@@H]1C(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@H]([C@H](O)CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-23	1403.1
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_131	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@@H]1[C@H](O)CO	standard non polar	2025-10-23	2033.66
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_132	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)C(OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)O[C@@H]1[C@H](O)CO	standard non polar	2025-10-23	1959.25
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_133	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC2O[C@H]([C@H](O)CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2641.65
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_134	C[Si](C)(C)O[C@@H]1C(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@H]([C@H](O)CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2013.73
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_135	C[Si](C)(C)O[C@@H]1[C@H](O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@H]([C@H](O)CO)[C@H]1O	standard non polar	2025-10-23	1025.61
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_136	C[Si](C)(C)O[C@@H]1[C@H](O)C(OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)O[C@H]([C@H](O)CO)[C@H]1O	standard non polar	2025-10-23	2586.57
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_137	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC2O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1572.4
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_138	C[Si](C)(C)O[C@@H]1C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@H]([C@H](O)CO)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	1804.64
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_139	C[Si](C)(C)O[C@@H]1C(OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)O[C@H]([C@H](O)CO)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	2395.15
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_140	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC2O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1708.46
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_141	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OC2O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21	standard non polar	2025-10-23	1143.14
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_142	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC2O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2068.4
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_143	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(OC2O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2245.15
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_144	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OC2O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	standard non polar	2025-10-23	1738.66
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_145	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OC2O[C@H]([C@H](O)CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	standard non polar	2025-10-23	1647.72
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_146	C[Si](C)(C)O[C@@H]1C(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)O[C@H]([C@H](O)CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-23	2756.2
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_147	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC2O[C@H]([C@H](O)CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	standard non polar	2025-10-23	2154.22
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_148	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(OC2O[C@H]([C@H](O)CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	standard non polar	2025-10-23	2232.96
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_149	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC2O[C@H]([C@H](O)CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-23	1964.97
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_150	C[Si](C)(C)O[C@@H]1C(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)O[C@H]([C@H](O)CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1443.41
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_151	C[Si](C)(C)O[C@@H]1[C@H](O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)O[C@H]([C@H](O)CO)[C@H]1O	standard non polar	2025-10-23	2290.67
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_152	C[Si](C)(C)O[C@@H]1[C@H](O)C(OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]([C@H](O)CO)[C@H]1O	standard non polar	2025-10-23	2392.01
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_153	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC2O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-23	1902.16
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_154	C[Si](C)(C)O[C@@H]1C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)O[C@H]([C@H](O)CO)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	2891.28
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_155	C[Si](C)(C)O[C@@H]1C(OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]([C@H](O)CO)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	2400.38
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_156	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC2O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-23	1981.0
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_157	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OC2O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	standard non polar	2025-10-23	1347.41
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_158	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC2O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-23	-538.398
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_159	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(OC2O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-23	1943.09
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_160	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OC2O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O)O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O	standard non polar	2025-10-23	1948.85
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_161	C[Si](C)(C)O[C@@H]1C(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[C@H]([C@H](O)CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1516.8
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_162	C[Si](C)(C)O[C@@H]1C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[C@H]([C@H](O)CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-23	2134.6
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_163	C[Si](C)(C)O[C@@H]1C(OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@H]([C@H](O)CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-23	1810.05
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_164	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC2O[C@H]([C@H](O)CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard non polar	2025-10-23	1245.65
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_165	C[Si](C)(C)O[C@@H]1C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[C@H]([C@H](O)CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1388.62
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_166	C[Si](C)(C)O[C@@H]1C(OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@H]([C@H](O)CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-23	3388.99
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_167	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC2O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard non polar	2025-10-23	1058.57
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_168	C[Si](C)(C)O[C@@H]1C(OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@H]([C@H](O)CO)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	2872.51
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_169	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(OC2O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard non polar	2025-10-23	698.98
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_170	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC2O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard non polar	2025-10-23	2551.23
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_171	C[Si](C)(C)O[C@@H]1C(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)[C@H](O)[C@@H]2O)O[C@H]([C@H](O)CO)[C@@H](O)[C@@H]1O	standard non polar	2025-10-23	2528.04
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_172	C[Si](C)(C)O[C@@H]1[C@H](O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[C@H]([C@H](O)CO)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	1246.34
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_173	C[Si](C)(C)O[C@@H]1[C@H](O)C(OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@H]([C@H](O)CO)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-23	2114.17
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_174	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC2O[C@H]([C@H](O)CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@H]1O	standard non polar	2025-10-23	3227.24
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_175	C[Si](C)(C)O[C@@H]1[C@H](O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@H]([C@H](O)CO)[C@H]1O	standard non polar	2025-10-23	966.178
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_176	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(OC2O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard non polar	2025-10-23	2425.93
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_177	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC2O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@H]1O	standard non polar	2025-10-23	2156.69
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_178	C[Si](C)(C)O[C@@H]1[C@H](O)C(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)[C@H](O)[C@@H]2O)O[C@H]([C@H](O)CO)[C@H]1O	standard non polar	2025-10-23	1374.67
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_179	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@@H]1[C@H](O)CO	standard non polar	2025-10-23	1026.39
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_180	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(OC2O[C@H]([C@H](O)CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard non polar	2025-10-23	2482.44
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_181	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC2O[C@H]([C@H](O)CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O	standard non polar	2025-10-23	1670.26
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_182	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)C(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)[C@H](O)[C@@H]2O)O[C@@H]1[C@H](O)CO	standard non polar	2025-10-23	2514.35
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_183	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OC2O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard non polar	2025-10-23	2114.54
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_184	C[Si](C)(C)OP(=O)(OC1O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O	standard non polar	2025-10-23	1943.28
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_185	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O)OP(=O)(O)OC1O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O	standard non polar	2025-10-23	1661.04
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_1	C[Si](C)(C)O[C@H](CO)[C@H]1OC(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	772.374
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_2	C[Si](C)(C)OC[C@@H](O)[C@H]1OC(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	3262.33
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_3	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OC2O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O)O[C@H]1N1C=NC2=C(N)N=CN=C21	standard polar	2025-10-23	1374.71
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_4	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OC2O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	standard polar	2025-10-23	985.752
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_5	C[Si](C)(C)O[C@@H]1C(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[C@H]([C@H](O)CO)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	1528.47
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_6	C[Si](C)(C)O[C@@H]1[C@H](O)C(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[C@H]([C@H](O)CO)[C@H]1O	standard polar	2025-10-23	2076.53
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_7	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)C(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[C@@H]1[C@H](O)CO	standard polar	2025-10-23	2063.36
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_8	C[Si](C)(C)OP(=O)(OC1O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O	standard polar	2025-10-23	2581.67
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_9	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)OP(=O)(O)OC1O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O	standard polar	2025-10-23	3728.24
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_10	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC2O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O	standard polar	2025-10-23	2176.29
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_11	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H]1OC(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	1694.23
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_12	C[Si](C)(C)O[C@H](CO)[C@H]1OC(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	2463.69
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_13	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OC2O[C@H]([C@@H](CO)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	standard polar	2025-10-23	2230.34
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_14	C[Si](C)(C)O[C@@H]1C(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[C@H]([C@@H](CO)O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	2968.26
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_15	C[Si](C)(C)O[C@@H]1[C@H](O)C(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[C@H]([C@@H](CO)O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-23	1808.13
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_16	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)C(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[C@@H]1[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-23	1735.93
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_17	C[Si](C)(C)O[C@H](CO)[C@H]1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	1923.11
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_18	C[Si](C)(C)O[C@H](CO)[C@H]1OC(OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	2266.46
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_19	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC2O[C@H]([C@@H](CO)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O	standard polar	2025-10-23	2498.62
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_20	C[Si](C)(C)OC[C@@H](O)[C@H]1OC(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	2090.18
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_21	C[Si](C)(C)OC[C@@H](O)[C@H]1OC(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	2945.46
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_22	C[Si](C)(C)OC[C@@H](O)[C@H]1OC(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	2184.56
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_23	C[Si](C)(C)OC[C@@H](O)[C@H]1OC(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-23	2191.89
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_24	C[Si](C)(C)OC[C@@H](O)[C@H]1OC(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2579.61
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_25	C[Si](C)(C)OC[C@@H](O)[C@H]1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	1383.6
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_26	C[Si](C)(C)OC[C@@H](O)[C@H]1OC(OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	2346.82
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_27	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC2O[C@H]([C@H](O)CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O	standard polar	2025-10-23	932.454
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_28	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OC2O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1482.04
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_29	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)C(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@@H]1[C@H](O)CO	standard polar	2025-10-23	1135.0
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_30	C[Si](C)(C)O[C@@H]1[C@H](O)C(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@H]([C@H](O)CO)[C@H]1O	standard polar	2025-10-23	1852.2
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_31	C[Si](C)(C)O[C@@H]1C(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@H]([C@H](O)CO)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	2505.09
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_32	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC2O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O)O[C@H]1N1C=NC2=C(N)N=CN=C21	standard polar	2025-10-23	1223.93
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_33	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(OC2O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21	standard polar	2025-10-23	2699.33
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_34	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC2O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	1274.8
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_35	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OC2O[C@H]([C@H](O)CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	standard polar	2025-10-23	4059.56
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_36	C[Si](C)(C)O[C@@H]1[C@H](O)C(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)O[C@H]([C@H](O)CO)[C@H]1O	standard polar	2025-10-23	1673.4
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_37	C[Si](C)(C)O[C@@H]1C(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)O[C@H]([C@H](O)CO)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	2431.79
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_38	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC2O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	standard polar	2025-10-23	2181.83
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_39	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(OC2O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	standard polar	2025-10-23	1454.57
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_40	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC2O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-23	2069.43
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_41	C[Si](C)(C)O[C@@H]1C(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[C@H]([C@H](O)CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-23	1322.01
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_42	C[Si](C)(C)O[C@@H]1C(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[C@H]([C@H](O)CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2756.36
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_43	C[Si](C)(C)O[C@@H]1C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[C@H]([C@H](O)CO)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	4.9144
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_44	C[Si](C)(C)O[C@@H]1C(OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@H]([C@H](O)CO)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	3068.59
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_45	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC2O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard polar	2025-10-23	855.129
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_46	C[Si](C)(C)O[C@@H]1[C@H](O)C(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[C@H]([C@H](O)CO)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	2775.06
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_47	C[Si](C)(C)O[C@@H]1[C@H](O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[C@H]([C@H](O)CO)[C@H]1O	standard polar	2025-10-23	1199.07
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_48	C[Si](C)(C)O[C@@H]1[C@H](O)C(OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@H]([C@H](O)CO)[C@H]1O	standard polar	2025-10-23	2159.71
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_49	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC2O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@H]1O	standard polar	2025-10-23	3842.44
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_50	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[C@@H]1[C@H](O)CO	standard polar	2025-10-23	1718.51
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_51	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)C(OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@@H]1[C@H](O)CO	standard polar	2025-10-23	1142.85
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_52	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC2O[C@H]([C@H](O)CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O	standard polar	2025-10-23	2163.01
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_53	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)OP(=O)(OC1O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O)O[Si](C)(C)C	standard polar	2025-10-23	3042.19
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_54	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(OC2O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard polar	2025-10-23	2383.55
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_55	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC2O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O	standard polar	2025-10-23	1821.25
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_56	C[Si](C)(C)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC2O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O)[Si](C)(C)C	standard polar	2025-10-23	993.624
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_57	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H]1OC(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	3103.8
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_58	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H]1OC(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	1134.31
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_59	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H]1OC(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	2687.33
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_60	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H]1OC(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-23	2008.32
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_61	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H]1OC(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2254.71
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_62	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H]1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	1678.09
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_63	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H]1OC(OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	2618.52
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_64	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC2O[C@H]([C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O	standard polar	2025-10-23	2122.25
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_65	C[Si](C)(C)O[C@H](CO)[C@H]1OC(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	2585.74
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_66	C[Si](C)(C)O[C@@H]1C(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@H]([C@@H](CO)O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	948.728
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_67	C[Si](C)(C)O[C@@H]1[C@H](O)C(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@H]([C@@H](CO)O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-23	2484.71
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_68	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)C(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@@H]1[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-23	2103.65
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_69	C[Si](C)(C)O[C@H](CO)[C@H]1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	2645.17
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_70	C[Si](C)(C)O[C@H](CO)[C@H]1OC(OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	954.782
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_71	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC2O[C@H]([C@@H](CO)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	1759.61
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_72	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OC2O[C@H]([C@@H](CO)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	standard polar	2025-10-23	2471.02
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_73	C[Si](C)(C)O[C@@H]1[C@H](O)C(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)O[C@H]([C@@H](CO)O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-23	1668.45
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_74	C[Si](C)(C)O[C@@H]1C(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)O[C@H]([C@@H](CO)O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	1257.85
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_75	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC2O[C@H]([C@@H](CO)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	standard polar	2025-10-23	3205.94
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_76	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(OC2O[C@H]([C@@H](CO)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	standard polar	2025-10-23	2078.12
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_77	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC2O[C@H]([C@@H](CO)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-23	2116.09
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_78	C[Si](C)(C)O[C@@H]1C(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[C@H]([C@@H](CO)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-23	2921.95
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_79	C[Si](C)(C)O[C@@H]1C(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[C@H]([C@@H](CO)O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2237.72
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_80	C[Si](C)(C)O[C@@H]1C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[C@H]([C@@H](CO)O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	1103.44
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_81	C[Si](C)(C)O[C@@H]1C(OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@H]([C@@H](CO)O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	1904.25
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_82	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC2O[C@H]([C@@H](CO)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard polar	2025-10-23	2109.23
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_83	C[Si](C)(C)O[C@H](CO)[C@H]1OC(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1897.36
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_84	C[Si](C)(C)O[C@@H]1[C@H](O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[C@H]([C@@H](CO)O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-23	2298.0
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_85	C[Si](C)(C)O[C@@H]1[C@H](O)C(OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@H]([C@@H](CO)O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-23	2435.63
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_86	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC2O[C@H]([C@@H](CO)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@H]1O	standard polar	2025-10-23	3082.08
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_87	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[C@@H]1[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-23	3399.07
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_88	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)C(OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@@H]1[C@@H](CO)O[Si](C)(C)C	standard polar	2025-10-23	2492.18
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_89	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC2O[C@H]([C@@H](CO)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O	standard polar	2025-10-23	2258.74
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_90	C[Si](C)(C)O[C@H](CO)[C@H]1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	1910.16
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_91	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(OC2O[C@H]([C@@H](CO)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard polar	2025-10-23	4006.29
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_92	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC2O[C@H]([C@@H](CO)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O	standard polar	2025-10-23	2838.21
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_93	C[Si](C)(C)O[C@H](CO)[C@H]1OC(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	632.186
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_94	C[Si](C)(C)OC[C@@H](O)[C@H]1OC(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	2802.31
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_95	C[Si](C)(C)OC[C@@H](O)[C@H]1OC(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	1378.57
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_96	C[Si](C)(C)OC[C@@H](O)[C@H]1OC(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-23	2156.23
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_97	C[Si](C)(C)OC[C@@H](O)[C@H]1OC(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	3414.05
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_98	C[Si](C)(C)OC[C@@H](O)[C@H]1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	2140.51
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_99	C[Si](C)(C)OC[C@@H](O)[C@H]1OC(OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	1679.88
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_100	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC2O[C@H]([C@H](O)CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	1752.34
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_101	C[Si](C)(C)OC[C@@H](O)[C@H]1OC(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	1713.86
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_102	C[Si](C)(C)OC[C@@H](O)[C@H]1OC(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-23	1266.81
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_103	C[Si](C)(C)OC[C@@H](O)[C@H]1OC(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2425.74
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_104	C[Si](C)(C)OC[C@@H](O)[C@H]1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	394.229
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_105	C[Si](C)(C)OC[C@@H](O)[C@H]1OC(OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	2425.27
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_106	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC2O[C@H]([C@H](O)CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-23	3573.52
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_107	C[Si](C)(C)OC[C@@H](O)[C@H]1OC(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-23	1515.03
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_108	C[Si](C)(C)OC[C@@H](O)[C@H]1OC(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	3290.77
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_109	C[Si](C)(C)OC[C@@H](O)[C@H]1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	1718.53
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_110	C[Si](C)(C)OC[C@@H](O)[C@H]1OC(OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	1817.82
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_111	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC2O[C@H]([C@H](O)CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard polar	2025-10-23	3256.54
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_112	C[Si](C)(C)OC[C@@H](O)[C@H]1OC(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1695.72
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_113	C[Si](C)(C)OC[C@@H](O)[C@H]1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-23	3358.22
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_114	C[Si](C)(C)OC[C@@H](O)[C@H]1OC(OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-23	3571.59
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_115	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC2O[C@H]([C@H](O)CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@H]1O	standard polar	2025-10-23	3597.84
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_116	C[Si](C)(C)OC[C@@H](O)[C@H]1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	1814.28
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_117	C[Si](C)(C)OC[C@@H](O)[C@H]1OC(OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2376.26
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_118	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC2O[C@H]([C@H](O)CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O	standard polar	2025-10-23	1421.07
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_119	C[Si](C)(C)OC[C@@H](O)[C@H]1OC(OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	2543.09
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_120	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(OC2O[C@H]([C@H](O)CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard polar	2025-10-23	2524.98
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_121	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC2O[C@H]([C@H](O)CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O	standard polar	2025-10-23	1666.15
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_122	C[Si](C)(C)OC[C@@H](O)[C@H]1OC(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	1692.85
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_123	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)C(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)O[C@@H]1[C@H](O)CO	standard polar	2025-10-23	1554.52
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_124	C[Si](C)(C)O[C@@H]1[C@H](O)C(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)O[C@H]([C@H](O)CO)[C@H]1O	standard polar	2025-10-23	1701.65
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_125	C[Si](C)(C)O[C@@H]1C(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)O[C@H]([C@H](O)CO)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	3416.35
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_126	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC2O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	3193.75
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_127	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(OC2O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	117.266
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_128	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC2O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	1829.29
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_129	C[Si](C)(C)O[C@@H]1[C@H](O)C(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@H]([C@H](O)CO)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	1514.36
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_130	C[Si](C)(C)O[C@@H]1C(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@H]([C@H](O)CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-23	1077.59
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_131	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@@H]1[C@H](O)CO	standard polar	2025-10-23	1536.55
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_132	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)C(OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)O[C@@H]1[C@H](O)CO	standard polar	2025-10-23	1327.17
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_133	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC2O[C@H]([C@H](O)CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	1927.99
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_134	C[Si](C)(C)O[C@@H]1C(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@H]([C@H](O)CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2762.57
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_135	C[Si](C)(C)O[C@@H]1[C@H](O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@H]([C@H](O)CO)[C@H]1O	standard polar	2025-10-23	564.033
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_136	C[Si](C)(C)O[C@@H]1[C@H](O)C(OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)O[C@H]([C@H](O)CO)[C@H]1O	standard polar	2025-10-23	3698.07
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_137	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC2O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	3135.76
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_138	C[Si](C)(C)O[C@@H]1C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@H]([C@H](O)CO)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	750.175
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_139	C[Si](C)(C)O[C@@H]1C(OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)O[C@H]([C@H](O)CO)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	2517.82
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_140	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC2O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	1610.12
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_141	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OC2O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21	standard polar	2025-10-23	1502.67
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_142	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC2O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	3280.4
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_143	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(OC2O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	1118.75
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_144	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OC2O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	standard polar	2025-10-23	1994.2
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_145	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OC2O[C@H]([C@H](O)CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	standard polar	2025-10-23	1824.82
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_146	C[Si](C)(C)O[C@@H]1C(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)O[C@H]([C@H](O)CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-23	4387.02
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_147	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC2O[C@H]([C@H](O)CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	standard polar	2025-10-23	2553.21
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_148	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(OC2O[C@H]([C@H](O)CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	standard polar	2025-10-23	3092.82
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_149	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC2O[C@H]([C@H](O)CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-23	2378.17
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_150	C[Si](C)(C)O[C@@H]1C(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)O[C@H]([C@H](O)CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2374.89
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_151	C[Si](C)(C)O[C@@H]1[C@H](O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)O[C@H]([C@H](O)CO)[C@H]1O	standard polar	2025-10-23	2434.55
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_152	C[Si](C)(C)O[C@@H]1[C@H](O)C(OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]([C@H](O)CO)[C@H]1O	standard polar	2025-10-23	1350.85
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_153	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC2O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-23	2530.21
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_154	C[Si](C)(C)O[C@@H]1C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)O[C@H]([C@H](O)CO)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	2680.46
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_155	C[Si](C)(C)O[C@@H]1C(OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]([C@H](O)CO)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	2431.16
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_156	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC2O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-23	1322.35
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_157	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OC2O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	standard polar	2025-10-23	1391.17
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_158	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC2O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-23	2862.05
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_159	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(OC2O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-23	734.002
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_160	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)OC2O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O)O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O	standard polar	2025-10-23	1661.87
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_161	C[Si](C)(C)O[C@@H]1C(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[C@H]([C@H](O)CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	4527.93
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_162	C[Si](C)(C)O[C@@H]1C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[C@H]([C@H](O)CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-23	2074.98
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_163	C[Si](C)(C)O[C@@H]1C(OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@H]([C@H](O)CO)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-23	1951.99
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_164	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC2O[C@H]([C@H](O)CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard polar	2025-10-23	2460.29
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_165	C[Si](C)(C)O[C@@H]1C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[C@H]([C@H](O)CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	2201.31
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_166	C[Si](C)(C)O[C@@H]1C(OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@H]([C@H](O)CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-23	3082.65
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_167	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC2O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard polar	2025-10-23	2495.54
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_168	C[Si](C)(C)O[C@@H]1C(OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@H]([C@H](O)CO)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	3304.0
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_169	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(OC2O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard polar	2025-10-23	1082.46
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_170	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC2O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard polar	2025-10-23	3179.52
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_171	C[Si](C)(C)O[C@@H]1C(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)[C@H](O)[C@@H]2O)O[C@H]([C@H](O)CO)[C@@H](O)[C@@H]1O	standard polar	2025-10-23	3316.57
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_172	C[Si](C)(C)O[C@@H]1[C@H](O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[C@H]([C@H](O)CO)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	689.497
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_173	C[Si](C)(C)O[C@@H]1[C@H](O)C(OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@H]([C@H](O)CO)[C@H]1O[Si](C)(C)C	standard polar	2025-10-23	2839.9
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_174	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC2O[C@H]([C@H](O)CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@H]1O	standard polar	2025-10-23	2162.95
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_175	C[Si](C)(C)O[C@@H]1[C@H](O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@H]([C@H](O)CO)[C@H]1O	standard polar	2025-10-23	2357.93
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_176	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(OC2O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard polar	2025-10-23	2796.74
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_177	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC2O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H](O)[C@H]1O	standard polar	2025-10-23	1130.54
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_178	C[Si](C)(C)O[C@@H]1[C@H](O)C(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)[C@H](O)[C@@H]2O)O[C@H]([C@H](O)CO)[C@H]1O	standard polar	2025-10-23	1403.86
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_179	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)C(OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@@H]1[C@H](O)CO	standard polar	2025-10-23	558.713
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_180	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(OC2O[C@H]([C@H](O)CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard polar	2025-10-23	2525.54
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_181	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC2O[C@H]([C@H](O)CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O	standard polar	2025-10-23	683.137
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_182	C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)C(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)[C@H](O)[C@@H]2O)O[C@@H]1[C@H](O)CO	standard polar	2025-10-23	1513.97
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_183	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(OC2O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	standard polar	2025-10-23	-145.924
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_184	C[Si](C)(C)OP(=O)(OC1O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O	standard polar	2025-10-23	1846.7
Gas Chromatography	ADP-D-Glycero-D-manno-heptose_TMS_185	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O)OP(=O)(O)OC1O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O	standard polar	2025-10-23	2856.23

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Feces

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species

Human Pathways

Pathways

Name	SMPDB/PathBank

Microbial Pathways

Pathways

Name	SMPDB/PathBank	Species
ADP-L-glycero-beta-D-manno-heptose Biosynthesis		Escherichia coli Pseudomonas aeruginosa Escherichia coli SMS-3-5 Escherichia coli UTI89 Escherichia coli 55989 Escherichia coli SE11 Pseudomonas aeruginosa PA7 Actinobacillus succinogenes 130Z Escherichia coli CFT073 Myxococcus xanthus DK 1622 Bacillus subtilis Pseudomonas stutzeri Klebsiella pneumoniae Bacillus cereus Pseudomonas fluorescens Pf-5 Streptomyces griseus subsp. griseus NBRC 13350 Bacillus amyloliquefaciens Clostridium saccharoperbutylacetonicum N1-4(HMT) Salmonella enterica Clostridium acetobutylicum ATCC 824 Helicobacter pylori Staphylococcus aureus Haemophilus influenzae Haemophilus influenzae Rd KW20 Clostridium perfringens Clostridium sporogenes Rhodospirillum rubrum ATCC 11170 Methanoculleus marisnigri Lactobacillus fermentum IFO 3956 Aromatoleum aromaticum EbN1 Saccharopolyspora erythraea NRRL 2338 Shewanella denitrificans OS217 Acidaminococcus fermentans DSM 20731 Acidaminococcus intestini RyC-MR95 Akkermansia muciniphila ATCC BAA-835 Anaerococcus prevotii DSM 20548 Anaerostipes caccae Anaerostipes hadrus Arcobacter butzleri RM4018 Bacillus cereus AH187 (F4810/72) Bacillus halodurans C-125 Bacillus timonensis 10403023 Bacteroides caccae Bacteroides cellulosilyticus Bacteroides eggerthii Bacteroides fragilis Bacteroides fragilis 638R Bacteroides thetaiotaomicron Bacteroides vulgatus Bacteroides xylanisolvens XB1A Bifidobacterium longum Bifidobacterium longum DJO10A Bifidobacterium longum NCC2705 Bifidobacterium longum subsp. longum JDM301 Blautia hansenii DSM 20583 Blautia obeum A2-162 Blautia obeum ATCC 29174 Brevibacillus brevis NBRC 100599 Campylobacter fetus subsp. fetus 82-40 Clostridium beijerinckii NCIMB 8052 Clostridium perfringens ATCC 13124 Clostridium saccharolyticum Collinsella aerofaciens Dorea formicigenerans ATCC 27755 Dysgonomonas gadei ATCC BAA-286 Enterococcus faecalis Enterococcus hirae ATCC 9790 Eubacterium rectale ATCC 33656 Fusobacterium nucleatum subsp. nucleatum ATCC 25586 Geobacter metallireducens Haemophilus parainfluenzae T3T1 Limosilactobacillus fermentum Lactobacillus reuteri Megamonas hypermegale Methanobrevibacter smithii Methanobrevibacter smithii ATCC 35061 Odoribacter splanchnicus DSM 20712 Parabacteroides distasonis Parabacteroides distasonis ATCC 8503 Parabacteroides goldsteinii dnLKV18 Porphyromonas gingivalis ATCC 33277 Prevotella intermedia Prevotella ruminicola 23 Ruminococcus champanellensis 18P13 = JCM 17042 lactobacillus crispatus lactobacillus jensenii lactobacillus vaginalis Pelobacter carbinolicus Campylobacter concisus Campylobacter curvus Campylobacter lari Campylobacter rectus Campylobacter showae Thermus thermophilus Burkholderia cepacia Pseudomonas fluorescens Pseudomonas mendocina Pseudomonas putida Pseudomonas syringae Bradyrhizobium japonicum Mesorhizobium loti Sinorhizobium meliloti Methylococcus capsulatus Neisseria flavescens Neisseria gonorrhoeae Neisseria mucosa Acidiphilium cryptum Chromobacterium violaceum Citrobacter koseri Proteus mirabilis Shigella boydii Shigella dysenteriae Shigella flexneri Shigella sonnei Aeromonas hydrophila Vibrio cholerae Vibrio vulnificus Bacteroides uniformis Fusobacterium gonidiaformans Fusobacterium periodonticum Fusobacterium ulcerans Desulfovibrio salexigens Acidithiobacillus ferrooxidans Cytophaga hutchinsonii Rhodopseudomonas palustris Chlorobium phaeobacteroides Leuconostoc mesenteroides Ruminococcus albus Staphylococcus epidermidis Deinococcus radiodurans Streptococcus agalactiae Streptococcus dysgalactiae Streptococcus equi Streptococcus uberis Enterococcus gallinarum Bacillus licheniformis Priestia megaterium Bacillus mycoides Bacillus pumilus Bacillus thuringiensis Clostridium butyricum Lactobacillus delbrueckii Lactobacillus helveticus Lactobacillus plantarum Lactobacillus gasseri Lactobacillus sakei Lactobacillus amylovorus Lactobacillus coryniformis Lactobacillus salivarius Listeria monocytogenes Actinomyces viscosus Mycobacterium avium Methanococcus vannielii Desulfobacterium autotrophicum Methanosphaera stadtmanae Thermotoga neapolitana Roseobacter denitrificans Bifidobacterium pseudocatenulatum Staphylococcus lugdunensis Campylobacter upsaliensis Neisseria subflava Staphylococcus saprophyticus Pelobacter propionicus Enterococcus avium Lactobacillus johnsonii Helicobacter pullorum Thiobacillus denitrificans Helicobacter bilis Eubacterium ventriosum Sulfurimonas denitrificans Veillonella atypica Veillonella dispar Leptotrichia buccalis Actinosynnema mirum Caldicellulosiruptor saccharolyticus Enterococcus cecorum Mitsuokella multacida Brachyspira pilosicoli Enterococcus durans Blautia hydrogenotrophica Desulfotomaculum reducens Burkholderia vietnamiensis Holdemania filiformis Sodalis glossinidius Methanocaldococcus infernus Enterobacter cancerogenus Methanocaldococcus vulcanius Alloprevotella tannerae Bacillus clausii Methanocaldococcus fervens Lactobacillus amylolyticus Methanobrevibacter ruminantium Bacillus selenitireducens Achromobacter xylosoxidans Burkholderia multivorans Burkholderia cenocepacia Methylibium petroleiphilum Syntrophobacter fumaroxidans Citrobacter youngae Leuconostoc kimchii Collinsella stercoris Lactobacillus iners Burkholderia ambifaria Ignicoccus hospitalis Prevotella copri Ilyobacter polytropus Marvinbryantia formatexigens Anaerotruncus colihominis Alicycliphilus denitrificans Desulfovibrio magneticus Shewanella denitrificans Methylocella silvestris Escherichia albertii Dialister invisus Geobacter bemidjiensis Lactobacillus antri Lactobacillus ultunensis Streptococcus pseudopneumoniae Bacteroides plebeius Phocaeicola coprocola Geobacter lovleyi Streptococcus gallolyticus Bacteroides intestinalis Bacteroides salanitronis Actinomyces oris Bacteroides oleiciplenus Bacteroides faecis Alistipes shahii Bacteroides helcogenes Bifidobacterium catenulatum Blautia hansenii Blautia obeum Campylobacter coli Campylobacter jejuni Clostridium beijerinckii Dorea formicigenerans Dysgonomonas gadei Enterococcus hirae Fusobacterium nucleatum Gemella sanguinis Haemophilus parainfluenzae Klebsiella variicola Lactobacillus rhamnosus Lactobacillus ruminis Lactococcus lactis Leuconostoc citreum Odoribacter splanchnicus Parabacteroides goldsteinii Veillonella parvula Rothia dentocariosa Rothia mucilaginosa Achromobacter xylosoxidans A8 Actinobacillus pleuropneumoniae serovar 5b str. L20 Actinobacillus pleuropneumoniae serovar 3 str. JL03 Actinobacillus pleuropneumoniae serovar 7 str. AP76 Aeromonas hydrophila subsp. hydrophila ATCC 7966 Agrobacterium tumefaciens str. C58 Arcanobacterium haemolyticum DSM 20595 Bacillus cereus ATCC 10987 Bacillus megaterium QM B1551 Bacillus thuringiensis serovar konkukian str. 97-27 Bacillus licheniformis ATCC 14580 Bacillus clausii KSM-K16 Bacillus amyloliquefaciens FZB42 Bacillus pumilus SAFR-032 Bacillus cereus B4264 Bacillus cereus AH820 Bacillus cereus G9842 Bacillus cereus Q1 Priestia megaterium DSM 319 Bacillus subtilis subsp. spizizenii str. W23 Bacillus amyloliquefaciens DSM 7 Bradyrhizobium japonicum USDA 110 Campylobacter jejuni subsp. jejuni 81-176 Campylobacter jejuni subsp. doylei 269.97 Campylobacter curvus 525.92 Campylobacter concisus 13826 Campylobacter lari RM2100 Citrobacter koseri ATCC BAA-895 Clostridium perfringens str. 13 Clostridium botulinum A str. Hall Clostridium botulinum B1 str. Okra Clostridium botulinum A2 str. Kyoto Clostridium botulinum Ba4 str. 657 Clostridium perfringens SM101 Corynebacterium aurimucosum ATCC 700975 Cronobacter sakazakii ATCC BAA-894 Cryptobacterium curtum DSM 15641 Delftia acidovorans SPH-1 Dyadobacter fermentans DSM 18053 Enterobacter cloacae subsp. cloacae ATCC 13047 Escherichia coli APEC O1 Escherichia coli E24377A Escherichia coli O127:H6 str. E2348/69 Escherichia coli UMN026 Escherichia fergusonii ATCC 35469 Escherichia coli ED1a Escherichia coli IAI39 Haemophilus influenzae 86-028NP Haemophilus influenzae PittGG Helicobacter pylori J99 Helicobacter pylori G27 Helicobacter pylori P12 Klebsiella pneumoniae subsp. pneumoniae MGH 78578 Lactobacillus plantarum WCFS1 Lactobacillus johnsonii NCC 533 Lactobacillus salivarius UCC118 Lactobacillus acidophilus NCFM Lactobacillus sakei subsp. sakei 23K Lactobacillus brevis ATCC 367 Lactobacillus casei ATCC 334 Lactobacillus reuteri DSM 20016 Lactobacillus helveticus DPC 4571 Lactobacillus amylovorus GRL 1112 Lactobacillus reuteri SD2112 Lactococcus lactis subsp. lactis Il1403 Lactococcus lactis subsp. cremoris MG1363 Laribacter hongkongensis HLHK9 Leptotrichia buccalis C-1013-b Leuconostoc mesenteroides subsp. mesenteroides ATCC 8293 Lysinibacillus sphaericus C3-41 Mesorhizobium loti MAFF303099 Methanobrevibacter ruminantium M1 Methanosphaera stadtmanae DSM 3091 Mycobacterium avium subsp. paratuberculosis K-10 Neisseria gonorrhoeae FA 1090 Neisseria meningitidis MC58 Neisseria meningitidis Z2491 Neisseria meningitidis FAM18 Neisseria gonorrhoeae NCCP11945 Escherichia coli 042 Edwardsiella tarda FL6-60 Pediococcus pentosaceus ATCC 25745 Porphyromonas gingivalis W83 Proteus mirabilis HI4320 Pseudomonas putida KT2440 Pseudomonas fluorescens Pf0-1 Pseudomonas stutzeri A1501 Pseudomonas fluorescens SBW25 Pseudomonas putida GB-1 Rhizobium leguminosarum bv. viciae 3841 Rhizobium leguminosarum bv. trifolii WSM2304 Rothia mucilaginosa DY-18 Rothia dentocariosa ATCC 17931 Ruminococcus albus 7 Salmonella enterica subsp. enterica serovar Typhimurium str. LT2 Salmonella enterica subsp. enterica serovar Newport str. SL254 Salmonella enterica subsp. enterica serovar Heidelberg str. SL476 Salmonella enterica subsp. enterica serovar Agona str. SL483 Salmonella enterica subsp. enterica serovar Dublin str. CT02021853 Shigella sonnei Ss046 Shigella dysenteriae Sd197 Shigella flexneri 5 str. 8401 Spirosoma linguale DSM 74 Staphylococcus aureus subsp. aureus Mu50 Staphylococcus aureus subsp. aureus COL Staphylococcus aureus subsp. aureus MRSA252 Staphylococcus saprophyticus subsp. saprophyticus ATCC 15305 Staphylococcus aureus subsp. aureus NCTC 8325 Streptococcus agalactiae 2603V/R Streptococcus agalactiae NEM316 Streptococcus uberis 0140J Sulfolobus solfataricus P2 Vibrio parahaemolyticus RIMD 2210633 Wolinella succinogenes DSM 1740 Yersinia enterocolitica subsp. enterocolitica 8081 Yersinia pseudotuberculosis IP 31758 Aquifex aeolicus Bacteroides cellulosilyticus DSM 14838 Bacteroides eggerthii 1_2_48FAA Bacteroides graminisolvens Bacteroides graminisolvens DSM 19988 = JCM 15093 Bacteroides intestinalis DSM 17393 Bacteroides oleiciplenus YIT 12058 Bacteroides ovatus ATCC 8483 Bacteroides pyogenes DSM 20611 = JCM 6294 Bacteroides uniformis ATCC 8492 Bacteroides xylanisolvens SD CC 1b Bacteroides sp. 1_1_30 Bacteroides sp. 2_1_22 Bacteroides sp. D2 Bacteroides sp. D20 Bacteroides sp. D22 Butyricimonas virosa Alloprevotella tannerae ATCC 51259 Prevotella denticola Prevotella pallens ATCC 700821 Alistipes indistinctus YIT 12060 Parabacteroides johnsonii DSM 18315 Tannerella forsythia Bacteroides coprophilus DSM 18228 = JCM 13818 Bacteroides dorei DSM 17855 Spirosoma linguale Chlorobium limicola Cetobacterium somerae ATCC BAA-474 Fusobacterium gonidiaformans 3-1-5R Fusobacterium nucleatum subsp. animalis 4_8 Fusobacterium nucleatum subsp. animalis 7_1 Fusobacterium nucleatum subsp. animalis D11 Fusobacterium nucleatum subsp. vincentii 4_1_13 Fusobacterium periodonticum 1_1_41FAA Thermodesulfovibrio yellowstonii Beijerinckia indica Bradyrhizobium elkanii Rhizobium etli Azorhizobium caulinodans Xanthobacter autotrophicus Alcaligenes faecalis Burkholderia cepacia GG4 Parasutterella excrementihominis YIT 11859 Sutterella parvirubra Sutterella parvirubra YIT 11816 Laribacter hongkongensis Eikenella corrodens Eikenella corrodens ATCC 23834 Kingella oralis Kingella oralis ATCC 51147 Neisseria cinerea ATCC 14685 Neisseria elongata Neisseria elongata subsp. glycolytica ATCC 29315 Neisseria macacae Neisseria macacae ATCC 33926 Neisseria meningitidis Neisseria mucosa ATCC 25996 Neisseria subflava NJ9703 Nitrosospira multiformis Methyloversatilis universalis Methyloversatilis universalis FAM5 Bilophila wadsworthia 3_1_6 Arcobacter butzleri Campylobacter hyointestinalis Campylobacter rectus RM3267 Campylobacter showae CSUNSWCD Campylobacter upsaliensis JV21 Helicobacter bilis ATCC 43879 Helicobacter pullorum MIT 98-5489 Aeromonas caviae Aeromonas media Aeromonas veronii Succinatimonas hippei Succinatimonas hippei YIT 12066 Succinivibrio dextrinosolvens Allochromatium vinosum Cedecea davisae Cedecea davisae DSM 4568 Citrobacter amalonaticus Citrobacter amalonaticus Y19 Citrobacter freundii Citrobacter youngae ATCC 29220 Enterobacter hormaechei Escherichia albertii TW07627 Klebsiella aerogenes Salmonella Salmonella enterica subsp. enterica serovar Typhimurium Trabulsiella guamensis Trabulsiella guamensis ATCC 49490 Tatumella ptyseos Tatumella ptyseos ATCC 33301 Edwardsiella tarda Edwardsiella tarda ATCC 23685 Hafnia alvei Hafnia alvei ATCC 51873 Morganella morganii Morganella morganii subsp. morganii KT Providencia rustigianii DSM 4541 Providencia stuartii ATCC 25827 Serratia marcescens subsp. marcescens Db11 Yersinia enterocolitica Yersinia pestis Yersinia pseudotuberculosis Plesiomonas shigelloides 302-73 Actinobacillus pleuropneumoniae Aggregatibacter aphrophilus Haemophilus haemolyticus Haemophilus sputorum Grimontia hollisae CIP 101886 Vibrio fluvialis Vibrio fluvialis PG41 Vibrio parahaemolyticus Vibrio mimicus Brachyspira pilosicoli B2904 Leptospira interrogans Acetomicrobium hydrogeniformans Actinomyces naeslundii Actinomyces naeslundii str. Howell 279 Actinomyces viscosus C505 Trueperella pyogenes Bifidobacterium catenulatum DSM 16992 = JCM 1194 = LMG 11043 Bifidobacterium longum subsp. infantis CCUG 52486 Bifidobacterium pseudocatenulatum DSM 20438 = JCM 1200 = LMG 10505 Corynebacterium amycolatum Corynebacterium aurimucosum Corynebacterium durum Corynebacterium durum F0235 Gordonia terrae C-6 Rhodococcus erythropolis Brevibacterium casei Brevibacterium casei S18 Brevibacterium linens Microbacterium oleivorans Rothia aeria F0474 Cellulosimicrobium cellulans Atopobium minutum 10063974 Olsenella profusa F0195 Collinsella intestinalis DSM 13280 Collinsella stercoris DSM 13279 Cryptobacterium curtum Slackia piriformis YIT 12062 Bacillus altitudinis Lysinibacillus sphaericus Listeria grayi Listeria grayi DSM 20601 Listeria monocytogenes 10403S Aneurinibacillus aneurinilyticus Aneurinibacillus aneurinilyticus ATCC 12856 Paenibacillus lactis 154 Exiguobacterium aurantiacum Granulicatella elegans Granulicatella elegans ATCC 700633 Enterococcus asini ATCC 700915 Enterococcus caccae ATCC BAA-1240 Enterococcus casseliflavus ATCC 12755 Enterococcus cecorum DSM 20682 = ATCC 43198 Enterococcus dispar ATCC 51266 Enterococcus phoeniculicola ATCC BAA-412 Lactobacillus paracasei subsp. paracasei 8700:2 Lactobacillus rhamnosus LMS2-1 Lactobacillus amylolyticus DSM 11664 Lactobacillus iners DSM 13335 Lactobacillus ultunensis DSM 16047 Lactobacillus hilgardii DSM 20176 = ATCC 8290 Lactobacillus ruminis ATCC 25644 Lactobacillus salivarius DSM 20555 = ATCC 11741 Lactobacillus antri DSM 16041 Lactobacillus coleohominis 101-4-CHN Lactobacillus mucosae LM1 Lactobacillus vaginalis DSM 5837 = ATCC 49540 Lactobacillus reuteri CF48-3A Lactobacillus reuteri MM4-1A Lactobacillus coryniformis subsp. coryniformis CECT 5711 Pediococcus acidilactici DSM 20284 Pediococcus pentosaceus Leuconostoc mesenteroides subsp. cremoris ATCC 19254 Oenococcus oeni Weissella cibaria Weissella paramesenteroides Weissella paramesenteroides ATCC 33313 Lactococcus garvieae Streptococcus equi subsp. zooepidemicus H70 Clostridium butyricum E4 str. BoNT E BL5262 Clostridium sartagoforme AAU1 Eubacterium ventriosum ATCC 27560 [Eubacterium] cellulosolvens 6 Anaerostipes caccae DSM 14662 Blautia hydrogenotrophica DSM 10507 Blautia wexlerae Dorea longicatena DSM 13814 [Clostridium] bolteae ATCC BAA-613 Clostridium citroniae WAL-17108 [Clostridium] hylemonae DSM 15053 [Ruminococcus] gnavus ATCC 29149 [Ruminococcus] lactaris ATCC 29176 Anaerotruncus colihominis DSM 17241 Flavonifractor plautii ATCC 29863 Ruminococcus callidus ATCC 27760 Ruminococcus champanellensis [Clostridium] leptum DSM 753 [Eubacterium] siraeum DSM 15702 [Bacteroides] pectinophilus ATCC 43243 Eggerthia catenaformis OT 569 = DSM 20559 [Clostridium] innocuum 2959 [Clostridium] spiroforme DSM 1552 Holdemania filiformis DSM 12042 Kandleria vitulina Kandleria vitulina DSM 20405 Solobacterium moorei F0204 Acidaminococcus intestini Phascolarctobacterium succinatutens YIT 12067 Mitsuokella multacida DSM 20544 Dialister invisus DSM 15470 Dialister succinatiphilus Dialister succinatiphilus YIT 11850 Megasphaera elsdenii Veillonella atypica ACS-049-V-Sch6 Veillonella dispar ATCC 17748 Anaerococcus vaginalis ATCC 51170 Halococcus morrhuae DSM 1307 Halococcus morrhuae Streptomyces coelicolor A3(2) Bordetella pertussis Tohama I Bordetella parapertussis 12822 Ralstonia eutropha H16 Vibrio cholerae M66-2 Clostridioides difficile 630 Clostridioides difficile NAP08 Shewanella frigidimarina NCIMB 400 Bacillus cytotoxicus NVH 391-98 Bifidobacterium longum subsp. infantis Bifidobacterium longum subsp. longum Lachnoclostridium phytofermentans ISDg Leuconostoc citreum KM20 Alkaliphilus metalliredigens QYMF Amycolatopsis mediterranei U32 Anoxybacillus flavithermus WK1 Arthrobacter sp. FB24 Arthrobacter aurescens TC1 Arthrobacter chlorophenolicus A6 Bacillus selenitireducens MLS10 Beutenbergia cavernae DSM 12333 Clavibacter michiganensis subsp. michiganensis NCPPB 382 Clostridium tetani E88 Clostridium novyi NT Clostridium thermocellum ATCC 27405 Clostridium cellulolyticum H10 Corynebacterium jeikeium K411 Dehalococcoides ethenogenes 195 Deinococcus radiodurans R1 Deinococcus geothermalis DSM 11300 Deinococcus proteolyticus MRP Desulfotomaculum reducens MI-1 Exiguobacterium sibiricum 255-15 Exiguobacterium sp. AT1b Frankia alni ACN14a Gardnerella vaginalis ATCC 14019 Geobacillus kaustophilus HTA426 Geobacillus thermodenitrificans NG80-2 Kineococcus radiotolerans SRS30216 Kribbella flavida DSM 17836 Lactobacillus johnsonii FI9785 Lactobacillus crispatus ST1 Leuconostoc kimchii IMSNU 11154 Listeria innocua Clip11262 Listeria welshimeri serovar 6b str. SLCC5334 Macrococcus caseolyticus JCSC5402 Meiothermus ruber DSM 1279 Nakamurella multipartita DSM 44233 Nocardia farcinica IFM 10152 Nocardioides sp. JS614 Oceanobacillus iheyensis HTE831 Caldicellulosiruptor saccharolyticus DSM 8903 Dictyoglomus turgidum DSM 6724 Thermobaculum terrenum ATCC BAA-798 Oenococcus oeni PSU-1 Rhodococcus equi 103S Rubrobacter xylanophilus DSM 9941 Saccharomonospora viridis DSM 43017 Salinispora tropica CNB-440 Sanguibacter keddieii DSM 10542 Slackia heliotrinireducens DSM 20476 Sphaerobacter thermophilus DSM 20745 Staphylococcus carnosus subsp. carnosus TM300 Streptococcus equi subsp. zooepidemicus Streptococcus gallolyticus UCN34 Streptomyces violaceusniger Tu 4113 Streptosporangium roseum DSM 43021 Symbiobacterium thermophilum IAM 14863 Thermoanaerobacter sp. X514 Thermoanaerobacter pseudethanolicus ATCC 33223 Thermoanaerobacter italicus Ab9 Thermoanaerobacterium thermosaccharolyticum DSM 571 Thermobispora bispora DSM 43833 Xylanimonas cellulosilytica DSM 15894 Aspergillus nomiae NRRL 13137 Aspergillus novofumigatus Aspergillus novofumigatus IBT 16806 Aspergillus parasiticus SU-1 Aspergillus ruber Aspergillus glaucus Aspergillus oryzae RIB40 Aspergillus terreus NIH2624 Aspergillus wentii Aspergillus nidulans FGSC A4 Aspergillus thermomutatus Aspergillus viridinutans Penicillium canescens Fusarium heterosporum Fusarium pseudograminearum CS3096 Fusarium tricinctum Paraburkholderia graminis C4D1M Schaalia cardiffensis F0333 Schaalia odontolytica ATCC 17982 Schaalia turicensis ACS-279-V-Col4 Rhodococcus hoagii ATCC 33707 Acidipropionibacterium acidipropionici ATCC 4875 Cutibacterium granulosum DSM 20700 Leuconostoc mesenteroides subsp. cremoris Anaerobutyricum hallii DSM 3353 Absiella dolichum DSM 3991 Bacteroides helcogenes P 36-108 Bacteroides salanitronis DSM 18170 Klebsiella aerogenes KCTC 2190 Treponema succinifaciens DSM 2489 Halanaerobium hydrogeniformans Acidiphilium cryptum JF-5 Acidiphilium multivorum AIU301 Acidithiobacillus ferrooxidans ATCC 23270 Acidobacterium capsulatum ATCC 51196 Aeromonas salmonicida subsp. salmonicida A449 Agrobacterium vitis S4 Rhodoferax ferrireducens T118 Alcanivorax borkumensis SK2 Alicycliphilus denitrificans K601 Vibrio fischeri MJ11 Aliivibrio salmonicida LFI1238 Alkalilimnicola ehrlichii MLHE-1 Anabaena variabilis ATCC 29413 Anaeromyxobacter dehalogenans 2CP-C Anaeromyxobacter sp. Fw109-5 Anaeromyxobacter sp. K Anaeromyxobacter dehalogenans 2CP-1 Aquifex aeolicus VF5 Arcobacter nitrofigilis DSM 7299 Azorhizobium caulinodans ORS 571 Azotobacter vinelandii DJ Mannheimia succiniciproducens MBEL55E Beijerinckia indica subsp. indica ATCC 9039 Bordetella petrii DSM 12804 Bordetella avium 197N Brachyspira hyodysenteriae WA1 Brachyspira murdochii DSM 12563 Brachyspira pilosicoli 95/1000 Bradyrhizobium sp. ORS278 Bradyrhizobium sp. BTAi1 Burkholderia mallei ATCC 23344 Burkholderia pseudomallei 1710b Burkholderia sp. 383 Burkholderia xenovorans LB400 Burkholderia ambifaria AMMD Burkholderia mallei NCTC 10229 Burkholderia pseudomallei 1106a Burkholderia vietnamiensis G4 Burkholderia cenocepacia MC0-3 Burkholderia ambifaria MC40-6 Burkholderia phymatum STM815 Burkholderia phytofirmans PsJN Burkholderia cenocepacia J2315 Burkholderia rhizoxinica HKI 454 Candidatus Blochmannia floridanus Candidatus Blochmannia pennsylvanicus str. BPEN Candidatus Hamiltonella defensa 5AT (Acyrthosiphon pisum) Candidatus Koribacter versatilis Ellin345 Candidatus Pelagibacter ubique HTCC1062 Candidatus Protochlamydia amoebophila UWE25 Caulobacter crescentus CB15 Caulobacter crescentus NA1000 Caulobacter segnis ATCC 21756 Clostridium lentocellum DSM 5427 Cellvibrio japonicus Ueda107 Chitinophaga pinensis DSM 2588 Chlorobium tepidum TLS Chlorobium phaeobacteroides DSM 266 Chlorobium limicola DSM 245 Chloroflexus aurantiacus J-10-fl Chloroflexus aggregans DSM 9485 Chloroherpeton thalassium ATCC 35110 Chromohalobacter salexigens DSM 3043 Citrobacter rodentium ICC168 Colwellia psychrerythraea 34H Coxiella burnetii RSA 493 Coxiella burnetii Dugway 5J108-111 Cronobacter turicensis z3032 Cupriavidus metallidurans CH34 Cupriavidus taiwanensis LMG 19424 Cupriavidus necator N-1 Cyanothece sp. ATCC 51142 Cyanothece sp. PCC 7424 Cytophaga hutchinsonii ATCC 33406 Desulfobacterium autotrophicum HRM2 Desulfomicrobium baculatum DSM 4028 Desulfotalea psychrophila LSv54 Desulfovibrio vulgaris str. Hildenborough Desulfovibrio vulgaris DP4 Desulfovibrio magneticus RS-1 Desulfovibrio salexigens DSM 2638 Dichelobacter nodosus VCS1703A Dickeya dadantii Ech703 Dickeya zeae Ech1591 Dickeya dadantii Ech586 Dickeya dadantii 3937 Edwardsiella ictaluri 93-146 Enterobacter sp. 638 Enterobacter cloacae SCF1 Erwinia tasmaniensis Et1/99 Erwinia amylovora CFBP1430 Erwinia billingiae Eb661 Ferrimonas balearica DSM 9799 Fervidobacterium nodosum Rt17-B1 Geobacter metallireducens GS-15 Geobacter uraniireducens Rf4 Geobacter lovleyi SZ Geobacter bemidjiensis Bem Geobacter sp. FRC-32 Geobacter sp. M18 Gloeobacter violaceus PCC 7421 Gluconacetobacter diazotrophicus PAl 5 Gluconobacter oxydans 621H Gramella forsetii KT0803 Granulibacter bethesdensis CGDNIH1 Haemophilus parasuis SH0165 Haemophilus influenzae F3047 Hahella chejuensis KCTC 2396 Halorhabdus utahensis DSM 12940 Halorhodospira halophila SL1 Haloterrigena turkmenica DSM 5511 Halothermothrix orenii H 168 Helicobacter acinonychis str. Sheeba Helicobacter mustelae 12198 Helicobacter pylori B8 Helicobacter felis ATCC 49179 Helicobacter bizzozeronii CIII-1 Heliobacterium modesticaldum Ice1 Herpetosiphon aurantiacus DSM 785 Hydrogenobacter thermophilus TK-6 Hyphomonas neptunium ATCC 15444 Ignicoccus hospitalis KIN4/I Ilyobacter polytropus DSM 2926 Isosphaera pallida ATCC 43644 Jannaschia sp. CCS1 Klebsiella pneumoniae 342 Kosmotoga olearia TBF 19.5.1 Lawsonia intracellularis PHE/MN1-00 Leadbetterella byssophila DSM 17132 Legionella longbeachae NSW150 Leptospira borgpetersenii serovar Hardjo-bovis JB197 Leptothrix cholodnii SP-6 Magnetospirillum magneticum AMB-1 Marinobacter aquaeolei VT8 Marinomonas mediterranea MMB-1 Marinomonas posidonica IVIA-Po-181 Meiothermus silvanus DSM 9946 Methanocaldococcus fervens AG86 Methanocaldococcus vulcanius M7 Methanocaldococcus infernus ME Methanococcus vannielii SB Methanoculleus marisnigri JR1 Methylibium petroleiphilum PM1 Methylobacillus flagellatus KT Methylocella silvestris BL2 Methylotenera mobilis JLW8 Methylovorus glucosetrophus SIP3-4 Microbacterium testaceum StLB037 Mycoplasma genitalium G37 Natrialba magadii ATCC 43099 Nautilia profundicola AmH Neisseria meningitidis alpha14 Neisseria lactamica 020-06 Nitratiruptor sp. SB155-2 Nitrobacter winogradskyi Nb-255 Nitrobacter hamburgensis X14 Nitrosococcus oceani ATCC 19707 Nitrosococcus halophilus Nc4 Nitrosospira multiformis ATCC 25196 Candidatus Korarchaeum cryptofilum OPF8 Nostoc sp. PCC 7120 Nostoc punctiforme PCC 73102 Bordetella bronchiseptica RB50 Geobacter sulfurreducens PCA Haemophilus ducreyi 35000HP Leptospira interrogans serovar Lai str. 56601 Helicobacter hepaticus ATCC 51449 Chromobacterium violaceum ATCC 12472 Bdellovibrio bacteriovorus HD100 Leptospira interrogans serovar Copenhageni str. Fiocruz L1-130 Thermus thermophilus HB27 Sodalis glossinidius str. 'morsitans' Synechococcus sp. JA-2-3B'a(2-13) Magnetococcus sp. MC-1 Sorangium cellulosum 'So ce 56' Opitutus terrae PB90-1 Leptospira biflexa serovar Patoc strain 'Patoc 1 (Paris)' Elusimicrobium minutum Pei191 Alteromonas macleodii str. 'Deep ecotype' Thermodesulfovibrio yellowstonii DSM 11347 Dictyoglomus thermophilum H-6-12 Gemmatimonas aurantiaca T-27 Thermanaerovibrio acidaminovorans DSM 6589 Deferribacter desulfuricans SSM1 Denitrovibrio acetiphilus DSM 12809 Calditerrivibrio nitroreducens DSM 19672 Thermus scotoductus SA-01 Pantoea ananatis LMG 20103 Paracoccus denitrificans PD1222 Parvibaculum lavamentivorans DS-1 Pasteurella multocida subsp. multocida str. Pm70 Pectobacterium atrosepticum SCRI1043 Pectobacterium carotovorum subsp. carotovorum PC1 Pelobacter carbinolicus DSM 2380 Pelobacter propionicus DSM 2379 Chlorobium luteolum DSM 273 Pelodictyon phaeoclathratiforme BU-1 Persephonella marina EX-H1 Petrotoga mobilis SJ95 Phenylobacterium zucineum HLK1 Photobacterium profundum SS9 Photorhabdus luminescens subsp. laumondii TTO1 Photorhabdus asymbiotica subsp. asymbiotica ATCC 43949 Planctomyces limnophilus DSM 3776 Polaromonas sp. JS666 Polaromonas naphthalenivorans CJ2 Polynucleobacter necessarius subsp. asymbioticus QLW-P1DMWA-1 Prochlorococcus marinus subsp. marinus str. CCMP1375 Prochlorococcus marinus subsp. pastoris str. CCMP1986 Prochlorococcus marinus str. AS9601 Prochlorococcus marinus str. MIT 9303 Prosthecochloris aestuarii DSM 271 Pseudomonas syringae pv. tomato str. DC3000 Pseudomonas syringae pv. phaseolicola 1448A Pseudomonas syringae pv. syringae B728a Pseudomonas entomophila L48 Pseudomonas fulva 12-X Psychromonas ingrahamii 37 Ralstonia solanacearum GMI1000 Rhizobium etli CFN 42 Rhizobium leguminosarum bv. trifolii WSM1325 Rhodopirellula baltica SH 1 Rhodopseudomonas palustris CGA009 Rhodopseudomonas palustris HaA2 Rhodopseudomonas palustris BisB5 Rhodospirillum centenum SW Roseiflexus sp. RS-1 Roseiflexus castenholzii DSM 13941 Roseobacter denitrificans OCh 114 Roseobacter litoralis Och 149 Ruegeria sp. TM1040 Salmonella enterica subsp. enterica serovar Paratyphi A str. Sebaldella termitidis ATCC 33386 Shewanella oneidensis MR-1 Shewanella sp. ANA-3 Shewanella amazonensis SB2B Shewanella sp. W3-18-1 Shewanella baltica OS155 Shewanella loihica PV-4 Shewanella sediminis HAW-EB3 Shewanella pealeana ATCC 700345 Shewanella baltica OS195 Shewanella halifaxensis HAW-EB4 Shewanella woodyi ATCC 51908 Shewanella piezotolerans WP3 Shewanella violacea DSS12 Shigella flexneri 2a str. 301 Shigella boydii Sb227 Shigella boydii CDC 3083-94 Sinorhizobium meliloti 1021 Sinorhizobium medicae WSM419 Streptobacillus moniliformis DSM 12112 Sulfurihydrogenibium azorense Az-Fu1 Sulfurimonas denitrificans DSM 1251 Sulfurimonas autotrophica DSM 16294 Synechococcus sp. JA-3-3Ab Synechococcus sp. PCC 7002 Syntrophobacter fumaroxidans MPOB Thermocrinis albus DSM 14484 Thermomicrobium roseum DSM 5159 Thermoplasma volcanium GSS1 Thermosipho melanesiensis BI429 Thermosipho africanus TCF52B Thermotoga petrophila RKU-1 Thermotoga sp. RQ2 Thermotoga neapolitana DSM 4359 Thioalkalivibrio sp. K90mix Thiobacillus denitrificans ATCC 25259 Tolumonas auensis DSM 9187 Variovorax paradoxus EPS Vibrio vulnificus CMCP6 Vibrio vulnificus YJ016 Vibrio splendidus LGP32 Waddlia chondrophila WSU 86-1044 Weeksella virosa DSM 16922 Xanthobacter autotrophicus Py2 Xenorhabdus bovienii SS-2004 Xenorhabdus nematophila ATCC 19061 Sphingobacterium paucimobilis HER1398 Neisseria meningitidis serogroup C Atlantibacter hermannii NBRC 105704 Klebsiella michiganensis KCTC 1686 Chania multitudinisentens RB-25 Hungatella hathewayi DSM 13479 Veillonella seminalis ACS-216-V-Col6b Veillonella sp. 6_1_27

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
MMDBr0019356	D-Glycero-D-manno-heptose 1-phosphate	ADP-D-Glycero-D-manno-heptose	Bifunctional protein HldE	Phosphorylation	PathBank	31602464
MMDBr0019357	ADP-D-Glycero-D-manno-heptose	ADP-L-glycero-beta-D-manno-heptose	ADP-L-glycero-D-manno-heptose-6-epimerase	Epimerization	PathBank	31602464

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	Proteobacteria	1	Human feces; Human sputum; Human ; Human unknown; Pig ; Human pleural fluid plaque; Human dental plaque; Human nasal swab; Human feces; pleural fluid plaque; bal	Unknown; Metabolic reconstruction
Bacteria/Eubacteria	Proteobacteria	171	Human feces; Human sputum; Human ; Human unknown; Pig ; Human pleural fluid plaque; Human dental plaque; Human nasal swab; Human feces; pleural fluid plaque; bal	Unknown; Metabolic reconstruction
Bacteria/Eubacteria	Firmicutes	26	Pig ; Human feces; Human	Metabolic reconstruction
Bacteria/Eubacteria	Actinobacteria	88	Human feces; Human pleural fluid plaque; Human dental plaque; Human sputum; Human ; Human nasopharyngeal swab; Human supragingival plaque; Human mucosa; Human subgingival plaque; Human saliva	Metabolic reconstruction
Bacteria/Eubacteria	Verrucomicrobia	1	Human ; Human feces	Metabolic reconstruction
Bacteria/Eubacteria	Bacteroidetes	94	Human feces; Human appendix biopsy; Human ; Human gastric fluid; Human saliva; Human subgingival plaque; Human supragingival plaque	Metabolic reconstruction
Bacteria/Eubacteria	Spirochaetes	1	Human feces	Metabolic reconstruction
Archaea	Thaumarchaeota	1		Metabolic reconstruction
Bacteria/Eubacteria	Fusobacteria	19	Human feces; Human	Metabolic reconstruction
Bacteria/Eubacteria	Synergistetes	2	Human feces	Metabolic reconstruction
Archaea	Euryarchaeota	4		Metabolic reconstruction
Bacteria/Eubacteria	Planctomycetes	1	Human feces	Metabolic reconstruction
Archaea	Crenarchaeota	1		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

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

441006

PDB ID

Not Available

ChEBI ID

16693

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Noronha A, Modamio J, Jarosz Y, Guerard E, Sompairac N, Preciat G, Danielsdottir AD, Krecke M, Merten D, Haraldsdottir HS, Heinken A, Heirendt L, Magnusdottir S, Ravcheev DA, Sahoo S, Gawron P, Friscioni L, Garcia B, Prendergast M, Puente A, Rodrigues M, Roy A, Rouquaya M, Wiltgen L, Zagare A, John E, Krueger M, Kuperstein I, Zinovyev A, Schneider R, Fleming RMT, Thiele I: The Virtual Metabolic Human database: integrating human and gut microbiome metabolism with nutrition and disease. Nucleic Acids Res. 2019 Jan 8;47(D1):D614-D624. doi: 10.1093/nar/gky992. [PubMed:30371894 ]
Wishart DS, Li C, Marcu A, Badran H, Pon A, Budinski Z, Patron J, Lipton D, Cao X, Oler E, Li K, Paccoud M, Hong C, Guo AC, Chan C, Wei W, Ramirez-Gaona M: PathBank: a comprehensive pathway database for model organisms. Nucleic Acids Res. 2020 Jan 8;48(D1):D470-D478. doi: 10.1093/nar/gkz861. [PubMed:31602464 ]

Showing metabocard for ADP-D-Glycero-D-manno-heptose (MMDBc0030035)

MOL for #<Metabolite:0x00007f2e38453c48>

3D MOL for #<Metabolite:0x00007f2e38453c48>

3D SDF for #<Metabolite:0x00007f2e38453c48>

3D-SDF for #<Metabolite:0x00007f2e38453c48>

PDB for #<Metabolite:0x00007f2e38453c48>

3D PDB for #<Metabolite:0x00007f2e38453c48>

SMILES for #<Metabolite:0x00007f2e38453c48>

INCHI for #<Metabolite:0x00007f2e38453c48>

Structure for #<Metabolite:0x00007f2e38453c48>

3D Structure for #<Metabolite:0x00007f2e38453c48>