MiMeDB: Showing metabocard for Acetyl-CoA (MMDBc0029589)

Microbial

Plant

Animal

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2021-11-17 23:33:26 UTC

Update Date

2024-04-30 19:38:33 UTC

Metabolite ID

MMDBc0029589

Metabolite Identification

Common Name

Acetyl-CoA

Description

Acetyl-CoA is the thioester formed between coenzyme A (a thiol) and acetic acid (an acyl group carrier). Acetyl-CoA is produced during the second step of aerobic cellular respiration, pyruvate decarboxylation. Its main function is to convey the carbon atoms within the acetyl group to the citric acid cycle (Krebs cycle) to be oxidized for energy production.

Structure

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


  Mrv1652306252016422D          

 51 53  0  0  1  0            999 V2000
   23.7699   -2.0121    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   23.1025   -1.5271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.5150   -2.7967    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   22.4350   -2.0121    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   22.6900   -2.7967    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   23.9999   -3.4642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0242   -6.0531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7670   -6.4656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3097   -6.4656    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.5953   -6.0531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8808   -6.4656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3381   -4.8155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5953   -5.2281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3381   -3.9906    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9092   -3.9906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6236   -3.5779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0526   -2.7530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9256   -1.6261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3381   -2.3405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7506   -1.6261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6236   -2.7530    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.9091   -2.3405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7670   -2.3405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4170   -2.3405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0670   -2.3405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5920   -1.5155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5920   -3.1655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.2420   -1.5155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.2420   -3.1655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5920   -2.3405    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   20.2420   -2.3405    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   21.6504   -1.7572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2049   -3.4642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.3800   -4.2892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0300   -4.2892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.2049   -4.2892    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   22.2049   -5.1142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.5544   -1.7572    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.1677   -2.3092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8901   -1.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8821   -1.8967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1677   -3.1342    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.7106   -1.0896    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.5966   -2.3091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8822   -3.5466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5966   -3.1341    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.3110   -1.8966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.4815   -6.0531    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   19.1960   -7.2906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1960   -6.4656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9104   -6.0531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 38  1  1  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  3  6  1  6  0  0  0
  4 32  1  1  0  0  0
  5  4  1  0  0  0  0
  5 33  1  6  0  0  0
  9  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 48  1  0  0  0  0
 10  9  1  0  0  0  0
 13 10  1  0  0  0  0
 10 11  2  0  0  0  0
 12 14  1  0  0  0  0
 13 12  1  0  0  0  0
 16 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16 21  1  0  0  0  0
 19 17  1  0  0  0  0
 17 23  1  0  0  0  0
 19 18  1  0  0  0  0
 21 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  6  0  0  0
 23 30  1  0  0  0  0
 30 24  1  0  0  0  0
 24 31  1  0  0  0  0
 31 25  1  0  0  0  0
 32 25  1  0  0  0  0
 30 26  2  0  0  0  0
 30 27  1  0  0  0  0
 31 28  2  0  0  0  0
 31 29  1  0  0  0  0
 33 36  1  0  0  0  0
 36 34  1  0  0  0  0
 36 35  1  0  0  0  0
 36 37  2  0  0  0  0
 39 38  1  0  0  0  0
 40 38  1  0  0  0  0
 41 39  2  0  0  0  0
 42 39  1  0  0  0  0
 43 40  2  0  0  0  0
 44 41  1  0  0  0  0
 43 41  1  0  0  0  0
 45 42  2  0  0  0  0
 46 44  2  0  0  0  0
 47 44  1  0  0  0  0
 46 45  1  0  0  0  0
 48 50  1  0  0  0  0
 50 49  2  0  0  0  0
 50 51  1  0  0  0  0
M  END

HMDB0001206
     RDKit          3D
Acetyl-CoA
 89 91  0  0  0  0  0  0  0  0999 V2000
   11.5647    0.2166    0.0112 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3766   -1.0204    0.0739 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6150   -0.8189    0.1624 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8218   -2.6646    0.0400 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.1049   -3.0216    0.0368 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3475   -2.7605    1.2881 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1833   -1.4211    1.7256 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4459   -0.4828    0.9490 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9546   -0.8570   -0.1379 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2538    0.9002    1.4050 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4409    1.6602    0.3667 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1468    1.0226    0.1948 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1683    1.5065   -0.7021 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5067    2.5551   -1.3604 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8493    0.9313   -0.9347 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1941    1.6419   -1.9456 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9343    0.8772    0.2424 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4308    0.0707    1.4094 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7235    2.2993    0.7848 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5572    0.3557   -0.1214 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9270    1.1350   -1.0623 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5971    0.4172   -1.3543 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.9844    0.8289   -2.7764 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5114   -1.2537   -1.3326 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7688    1.0362   -0.3197 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0375    0.0882    1.0294 P   0  0  0  0  0  5  0  0  0  0  0  0
   -1.3824   -1.2892    0.8829 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2418    0.8318    2.3501 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6528   -0.1701    1.3584 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4974    0.5072    0.4823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9512    0.2592    0.7984 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.7141    0.9608   -0.1096 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8514    0.2098   -0.3733 C   0  0  1  0  0  0  0  0  0  0  0  0
   -8.4519    0.6675   -1.5904 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8741    0.7633   -2.7988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7459    1.2336   -3.7039 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9159    1.4458   -3.0592 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1217    1.9191   -3.5253 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2752    2.2756   -4.8987 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1183    2.0215   -2.6285 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9378    1.6763   -1.3415 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7624    1.2139   -0.8831 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7296    1.0906   -1.7355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2563   -1.1891   -0.5052 C   0  0  2  0  0  0  0  0  0  0  0  0
   -8.2306   -2.1559   -0.3956 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3244   -1.1865    0.7146 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.0214   -1.5195    1.8753 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3595   -2.8062    2.7050 P   0  0  0  0  0  5  0  0  0  0  0  0
   -5.5384   -2.2409    3.8664 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3857   -3.7884    1.7510 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6250   -3.6912    3.4017 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7156    0.0489   -0.6766 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1660    0.4638    1.0037 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1826    1.0875   -0.3552 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6167   -2.3614   -0.7640 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8768   -4.0962   -0.2498 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8331   -3.3733    2.1174 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3301   -3.2687    1.1443 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6043   -1.1035    2.6297 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6435    0.9089    2.3644 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1687    1.4650    1.6251 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9987    1.7079   -0.5741 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2316    2.6635    0.8121 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9242    0.1686    0.7492 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9746   -0.1030   -1.3204 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5804    2.5200   -2.1197 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0509    0.6569    2.1199 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5079   -0.1798    2.0206 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8410   -0.9136    1.1393 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9359    2.2143    1.5386 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6765    2.6746    1.2100 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4371    2.9593   -0.0683 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7252   -0.6426   -0.5851 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9588    0.3188    0.7868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1346   -1.5681   -2.2101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7594    1.5683    2.7142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2988    0.0888   -0.5288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2629    1.5881    0.4204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1552    0.6790    1.8043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5177    0.2485    0.4921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8433    0.4905   -2.9852 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8137    1.6544   -5.6003 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8225    3.1190   -5.2074 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7867    1.7826   -0.6621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6209   -1.2812   -1.3883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8538   -2.9778    0.0286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4479   -1.8396    0.5483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1922   -4.6173    2.2372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1534   -3.0324    3.9337 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 17 19  1  0
 17 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 22 25  1  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
 26 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  2  0
 38 39  1  0
 38 40  1  0
 40 41  2  0
 41 42  1  0
 42 43  2  0
 33 44  1  0
 44 45  1  0
 44 46  1  0
 46 47  1  0
 47 48  1  0
 48 49  2  0
 48 50  1  0
 48 51  1  0
 46 31  1  0
 43 34  1  0
 43 37  1  0
  1 52  1  0
  1 53  1  0
  1 54  1  0
  5 55  1  0
  5 56  1  0
  6 57  1  0
  6 58  1  0
  7 59  1  0
 10 60  1  0
 10 61  1  0
 11 62  1  0
 11 63  1  0
 12 64  1  0
 15 65  1  6
 16 66  1  0
 18 67  1  0
 18 68  1  0
 18 69  1  0
 19 70  1  0
 19 71  1  0
 19 72  1  0
 20 73  1  0
 20 74  1  0
 24 75  1  0
 28 76  1  0
 30 77  1  0
 30 78  1  0
 31 79  1  1
 33 80  1  1
 35 81  1  0
 39 82  1  0
 39 83  1  0
 41 84  1  0
 44 85  1  6
 45 86  1  0
 46 87  1  6
 50 88  1  0
 51 89  1  0
M  END


  Mrv1652306252016422D          

 51 53  0  0  1  0            999 V2000
   23.7699   -2.0121    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   23.1025   -1.5271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.5150   -2.7967    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   22.4350   -2.0121    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   22.6900   -2.7967    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   23.9999   -3.4642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0242   -6.0531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7670   -6.4656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3097   -6.4656    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.5953   -6.0531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8808   -6.4656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3381   -4.8155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5953   -5.2281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3381   -3.9906    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9092   -3.9906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6236   -3.5779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0526   -2.7530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9256   -1.6261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3381   -2.3405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7506   -1.6261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6236   -2.7530    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.9091   -2.3405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7670   -2.3405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4170   -2.3405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0670   -2.3405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5920   -1.5155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5920   -3.1655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.2420   -1.5155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.2420   -3.1655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5920   -2.3405    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   20.2420   -2.3405    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   21.6504   -1.7572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2049   -3.4642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.3800   -4.2892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0300   -4.2892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.2049   -4.2892    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   22.2049   -5.1142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.5544   -1.7572    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.1677   -2.3092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8901   -1.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8821   -1.8967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1677   -3.1342    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.7106   -1.0896    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.5966   -2.3091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8822   -3.5466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5966   -3.1341    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.3110   -1.8966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.4815   -6.0531    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   19.1960   -7.2906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1960   -6.4656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9104   -6.0531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 38  1  1  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  3  6  1  6  0  0  0
  4 32  1  1  0  0  0
  5  4  1  0  0  0  0
  5 33  1  6  0  0  0
  9  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 48  1  0  0  0  0
 10  9  1  0  0  0  0
 13 10  1  0  0  0  0
 10 11  2  0  0  0  0
 12 14  1  0  0  0  0
 13 12  1  0  0  0  0
 16 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16 21  1  0  0  0  0
 19 17  1  0  0  0  0
 17 23  1  0  0  0  0
 19 18  1  0  0  0  0
 21 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  6  0  0  0
 23 30  1  0  0  0  0
 30 24  1  0  0  0  0
 24 31  1  0  0  0  0
 31 25  1  0  0  0  0
 32 25  1  0  0  0  0
 30 26  2  0  0  0  0
 30 27  1  0  0  0  0
 31 28  2  0  0  0  0
 31 29  1  0  0  0  0
 33 36  1  0  0  0  0
 36 34  1  0  0  0  0
 36 35  1  0  0  0  0
 36 37  2  0  0  0  0
 39 38  1  0  0  0  0
 40 38  1  0  0  0  0
 41 39  2  0  0  0  0
 42 39  1  0  0  0  0
 43 40  2  0  0  0  0
 44 41  1  0  0  0  0
 43 41  1  0  0  0  0
 45 42  2  0  0  0  0
 46 44  2  0  0  0  0
 47 44  1  0  0  0  0
 46 45  1  0  0  0  0
 48 50  1  0  0  0  0
 50 49  2  0  0  0  0
 50 51  1  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0029589

> <DATABASE_NAME>
MIME

> <SMILES>
CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N

> <INCHI_IDENTIFIER>
InChI=1S/C23H38N7O17P3S/c1-12(31)51-7-6-25-14(32)4-5-26-21(35)18(34)23(2,3)9-44-50(41,42)47-49(39,40)43-8-13-17(46-48(36,37)38)16(33)22(45-13)30-11-29-15-19(24)27-10-28-20(15)30/h10-11,13,16-18,22,33-34H,4-9H2,1-3H3,(H,25,32)(H,26,35)(H,39,40)(H,41,42)(H2,24,27,28)(H2,36,37,38)/t13-,16-,17-,18+,22-/m1/s1

> <INCHI_KEY>
ZSLZBFCDCINBPY-ZSJPKINUSA-N

> <FORMULA>
C23H38N7O17P3S

> <MOLECULAR_WEIGHT>
809.571

> <EXACT_MASS>
809.125773051

> <JCHEM_ACCEPTOR_COUNT>
17

> <JCHEM_ATOM_COUNT>
89

> <JCHEM_AVERAGE_POLARIZABILITY>
70.62112068041934

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[(2R,3S,4R,5R)-2-({[({[(3R)-3-[(2-{[2-(acetylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-5-(6-amino-9H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy}phosphonic acid

> <ALOGPS_LOGP>
-0.58

> <JCHEM_LOGP>
-5.881619113147957

> <ALOGPS_LOGS>
-2.27

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-4

> <JCHEM_PKA>
1.9001207347761846

> <JCHEM_PKA_STRONGEST_ACIDIC>
0.8209787813398228

> <JCHEM_PKA_STRONGEST_BASIC>
4.006053268556904

> <JCHEM_POLAR_SURFACE_AREA>
363.62999999999994

> <JCHEM_REFRACTIVITY>
172.208

> <JCHEM_ROTATABLE_BOND_COUNT>
20

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.30e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
acetyl-CoA

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0001206
     RDKit          3D
Acetyl-CoA
 89 91  0  0  0  0  0  0  0  0999 V2000
   11.5647    0.2166    0.0112 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3766   -1.0204    0.0739 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6150   -0.8189    0.1624 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8218   -2.6646    0.0400 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.1049   -3.0216    0.0368 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3475   -2.7605    1.2881 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1833   -1.4211    1.7256 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4459   -0.4828    0.9490 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9546   -0.8570   -0.1379 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2538    0.9002    1.4050 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4409    1.6602    0.3667 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1468    1.0226    0.1948 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1683    1.5065   -0.7021 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5067    2.5551   -1.3604 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8493    0.9313   -0.9347 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1941    1.6419   -1.9456 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9343    0.8772    0.2424 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4308    0.0707    1.4094 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7235    2.2993    0.7848 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5572    0.3557   -0.1214 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9270    1.1350   -1.0623 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5971    0.4172   -1.3543 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.9844    0.8289   -2.7764 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5114   -1.2537   -1.3326 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7688    1.0362   -0.3197 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0375    0.0882    1.0294 P   0  0  0  0  0  5  0  0  0  0  0  0
   -1.3824   -1.2892    0.8829 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2418    0.8318    2.3501 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6528   -0.1701    1.3584 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4974    0.5072    0.4823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9512    0.2592    0.7984 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.7141    0.9608   -0.1096 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8514    0.2098   -0.3733 C   0  0  1  0  0  0  0  0  0  0  0  0
   -8.4519    0.6675   -1.5904 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8741    0.7633   -2.7988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7459    1.2336   -3.7039 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9159    1.4458   -3.0592 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1217    1.9191   -3.5253 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2752    2.2756   -4.8987 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1183    2.0215   -2.6285 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9378    1.6763   -1.3415 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7624    1.2139   -0.8831 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7296    1.0906   -1.7355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2563   -1.1891   -0.5052 C   0  0  2  0  0  0  0  0  0  0  0  0
   -8.2306   -2.1559   -0.3956 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3244   -1.1865    0.7146 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.0214   -1.5195    1.8753 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3595   -2.8062    2.7050 P   0  0  0  0  0  5  0  0  0  0  0  0
   -5.5384   -2.2409    3.8664 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3857   -3.7884    1.7510 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6250   -3.6912    3.4017 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7156    0.0489   -0.6766 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1660    0.4638    1.0037 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1826    1.0875   -0.3552 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6167   -2.3614   -0.7640 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8768   -4.0962   -0.2498 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8331   -3.3733    2.1174 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3301   -3.2687    1.1443 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6043   -1.1035    2.6297 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6435    0.9089    2.3644 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1687    1.4650    1.6251 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9987    1.7079   -0.5741 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2316    2.6635    0.8121 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9242    0.1686    0.7492 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9746   -0.1030   -1.3204 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5804    2.5200   -2.1197 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0509    0.6569    2.1199 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5079   -0.1798    2.0206 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8410   -0.9136    1.1393 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9359    2.2143    1.5386 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6765    2.6746    1.2100 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4371    2.9593   -0.0683 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7252   -0.6426   -0.5851 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9588    0.3188    0.7868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1346   -1.5681   -2.2101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7594    1.5683    2.7142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2988    0.0888   -0.5288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2629    1.5881    0.4204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1552    0.6790    1.8043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5177    0.2485    0.4921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8433    0.4905   -2.9852 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8137    1.6544   -5.6003 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8225    3.1190   -5.2074 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7867    1.7826   -0.6621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6209   -1.2812   -1.3883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8538   -2.9778    0.0286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4479   -1.8396    0.5483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1922   -4.6173    2.2372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1534   -3.0324    3.9337 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 17 19  1  0
 17 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 22 25  1  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
 26 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  2  0
 38 39  1  0
 38 40  1  0
 40 41  2  0
 41 42  1  0
 42 43  2  0
 33 44  1  0
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 46 31  1  0
 43 34  1  0
 43 37  1  0
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 10 60  1  0
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 11 62  1  0
 11 63  1  0
 12 64  1  0
 15 65  1  6
 16 66  1  0
 18 67  1  0
 18 68  1  0
 18 69  1  0
 19 70  1  0
 19 71  1  0
 19 72  1  0
 20 73  1  0
 20 74  1  0
 24 75  1  0
 28 76  1  0
 30 77  1  0
 30 78  1  0
 31 79  1  1
 33 80  1  1
 35 81  1  0
 39 82  1  0
 39 83  1  0
 41 84  1  0
 44 85  1  6
 45 86  1  0
 46 87  1  6
 50 88  1  0
 51 89  1  0
M  END

HEADER    PROTEIN                                 25-JUN-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   25-JUN-20         0                                  
HETATM    1  C   UNK     0      44.370  -3.756   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      43.125  -2.851   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      43.895  -5.221   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      41.879  -3.756   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      42.355  -5.221   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      44.800  -6.467   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0      31.779 -11.299   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      33.165 -12.069   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0      30.445 -12.069   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0      29.111 -11.299   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      27.777 -12.069   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      30.498  -8.989   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      29.111  -9.759   0.000  0.00  0.00           C+0
HETATM   14  N   UNK     0      30.498  -7.449   0.000  0.00  0.00           N+0
HETATM   15  O   UNK     0      27.831  -7.449   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      29.164  -6.679   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      31.832  -5.139   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      29.728  -3.035   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      30.498  -4.369   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      31.268  -3.035   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      29.164  -5.139   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      27.830  -4.369   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      33.165  -4.369   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0      36.245  -4.369   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0      39.325  -4.369   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0      34.705  -2.829   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0      34.705  -5.909   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0      37.785  -2.829   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      37.785  -5.909   0.000  0.00  0.00           O+0
HETATM   30  P   UNK     0      34.705  -4.369   0.000  0.00  0.00           P+0
HETATM   31  P   UNK     0      37.785  -4.369   0.000  0.00  0.00           P+0
HETATM   32  C   UNK     0      40.414  -3.280   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      41.449  -6.467   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      39.909  -8.007   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0      42.989  -8.007   0.000  0.00  0.00           O+0
HETATM   36  P   UNK     0      41.449  -8.007   0.000  0.00  0.00           P+0
HETATM   37  O   UNK     0      41.449  -9.547   0.000  0.00  0.00           O+0
HETATM   38  N   UNK     0      45.835  -3.280   0.000  0.00  0.00           N+0
HETATM   39  C   UNK     0      46.980  -4.311   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      46.462  -1.873   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      48.313  -3.541   0.000  0.00  0.00           C+0
HETATM   42  N   UNK     0      46.980  -5.851   0.000  0.00  0.00           N+0
HETATM   43  N   UNK     0      47.993  -2.034   0.000  0.00  0.00           N+0
HETATM   44  C   UNK     0      49.647  -4.310   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      48.313  -6.620   0.000  0.00  0.00           C+0
HETATM   46  N   UNK     0      49.647  -5.850   0.000  0.00  0.00           N+0
HETATM   47  N   UNK     0      50.981  -3.540   0.000  0.00  0.00           N+0
HETATM   48  S   UNK     0      34.499 -11.299   0.000  0.00  0.00           S+0
HETATM   49  O   UNK     0      35.833 -13.609   0.000  0.00  0.00           O+0
HETATM   50  C   UNK     0      35.833 -12.069   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0      37.166 -11.299   0.000  0.00  0.00           C+0
CONECT    1   38    2    3                                                  
CONECT    2    1    4                                                       
CONECT    3    1    5    6                                                  
CONECT    4    2   32    5                                                  
CONECT    5    3    4   33                                                  
CONECT    6    3                                                            
CONECT    7    9    8                                                       
CONECT    8    7   48                                                       
CONECT    9    7   10                                                       
CONECT   10    9   13   11                                                  
CONECT   11   10                                                            
CONECT   12   14   13                                                       
CONECT   13   10   12                                                       
CONECT   14   12   16                                                       
CONECT   15   16                                                            
CONECT   16   14   15   21                                                  
CONECT   17   19   23                                                       
CONECT   18   19                                                            
CONECT   19   17   18   21   20                                             
CONECT   20   19                                                            
CONECT   21   16   19   22                                                  
CONECT   22   21                                                            
CONECT   23   17   30                                                       
CONECT   24   30   31                                                       
CONECT   25   31   32                                                       
CONECT   26   30                                                            
CONECT   27   30                                                            
CONECT   28   31                                                            
CONECT   29   31                                                            
CONECT   30   23   24   26   27                                             
CONECT   31   24   25   28   29                                             
CONECT   32    4   25                                                       
CONECT   33    5   36                                                       
CONECT   34   36                                                            
CONECT   35   36                                                            
CONECT   36   33   34   35   37                                             
CONECT   37   36                                                            
CONECT   38    1   39   40                                                  
CONECT   39   38   41   42                                                  
CONECT   40   38   43                                                       
CONECT   41   39   44   43                                                  
CONECT   42   39   45                                                       
CONECT   43   40   41                                                       
CONECT   44   41   46   47                                                  
CONECT   45   42   46                                                       
CONECT   46   44   45                                                       
CONECT   47   44                                                            
CONECT   48    8   50                                                       
CONECT   49   50                                                            
CONECT   50   48   49   51                                                  
CONECT   51   50                                                            
MASTER        0    0    0    0    0    0    0    0   51    0  106    0
END

COMPND    HMDB0001206
HETATM    1  C1  UNL     1      11.565   0.217   0.011  1.00  0.00           C  
HETATM    2  C2  UNL     1      12.377  -1.020   0.074  1.00  0.00           C  
HETATM    3  O1  UNL     1      13.615  -0.819   0.162  1.00  0.00           O  
HETATM    4  S1  UNL     1      11.822  -2.665   0.040  1.00  0.00           S  
HETATM    5  C3  UNL     1      10.105  -3.022   0.037  1.00  0.00           C  
HETATM    6  C4  UNL     1       9.347  -2.761   1.288  1.00  0.00           C  
HETATM    7  N1  UNL     1       9.183  -1.421   1.726  1.00  0.00           N  
HETATM    8  C5  UNL     1       8.446  -0.483   0.949  1.00  0.00           C  
HETATM    9  O2  UNL     1       7.955  -0.857  -0.138  1.00  0.00           O  
HETATM   10  C6  UNL     1       8.254   0.900   1.405  1.00  0.00           C  
HETATM   11  C7  UNL     1       7.441   1.660   0.367  1.00  0.00           C  
HETATM   12  N2  UNL     1       6.147   1.023   0.195  1.00  0.00           N  
HETATM   13  C8  UNL     1       5.168   1.507  -0.702  1.00  0.00           C  
HETATM   14  O3  UNL     1       5.507   2.555  -1.360  1.00  0.00           O  
HETATM   15  C9  UNL     1       3.849   0.931  -0.935  1.00  0.00           C  
HETATM   16  O4  UNL     1       3.194   1.642  -1.946  1.00  0.00           O  
HETATM   17  C10 UNL     1       2.934   0.877   0.242  1.00  0.00           C  
HETATM   18  C11 UNL     1       3.431   0.071   1.409  1.00  0.00           C  
HETATM   19  C12 UNL     1       2.724   2.299   0.785  1.00  0.00           C  
HETATM   20  C13 UNL     1       1.557   0.356  -0.121  1.00  0.00           C  
HETATM   21  O5  UNL     1       0.927   1.135  -1.062  1.00  0.00           O  
HETATM   22  P1  UNL     1      -0.597   0.417  -1.354  1.00  0.00           P  
HETATM   23  O6  UNL     1      -0.984   0.829  -2.776  1.00  0.00           O  
HETATM   24  O7  UNL     1      -0.511  -1.254  -1.333  1.00  0.00           O  
HETATM   25  O8  UNL     1      -1.769   1.036  -0.320  1.00  0.00           O  
HETATM   26  P2  UNL     1      -2.037   0.088   1.029  1.00  0.00           P  
HETATM   27  O9  UNL     1      -1.382  -1.289   0.883  1.00  0.00           O  
HETATM   28  O10 UNL     1      -1.242   0.832   2.350  1.00  0.00           O  
HETATM   29  O11 UNL     1      -3.653  -0.170   1.358  1.00  0.00           O  
HETATM   30  C14 UNL     1      -4.497   0.507   0.482  1.00  0.00           C  
HETATM   31  C15 UNL     1      -5.951   0.259   0.798  1.00  0.00           C  
HETATM   32  O12 UNL     1      -6.714   0.961  -0.110  1.00  0.00           O  
HETATM   33  C16 UNL     1      -7.851   0.210  -0.373  1.00  0.00           C  
HETATM   34  N3  UNL     1      -8.452   0.667  -1.590  1.00  0.00           N  
HETATM   35  C17 UNL     1      -7.874   0.763  -2.799  1.00  0.00           C  
HETATM   36  N4  UNL     1      -8.746   1.234  -3.704  1.00  0.00           N  
HETATM   37  C18 UNL     1      -9.916   1.446  -3.059  1.00  0.00           C  
HETATM   38  C19 UNL     1     -11.122   1.919  -3.525  1.00  0.00           C  
HETATM   39  N5  UNL     1     -11.275   2.276  -4.899  1.00  0.00           N  
HETATM   40  N6  UNL     1     -12.118   2.021  -2.629  1.00  0.00           N  
HETATM   41  C20 UNL     1     -11.938   1.676  -1.341  1.00  0.00           C  
HETATM   42  N7  UNL     1     -10.762   1.214  -0.883  1.00  0.00           N  
HETATM   43  C21 UNL     1      -9.730   1.091  -1.735  1.00  0.00           C  
HETATM   44  C22 UNL     1      -7.256  -1.189  -0.505  1.00  0.00           C  
HETATM   45  O13 UNL     1      -8.231  -2.156  -0.396  1.00  0.00           O  
HETATM   46  C23 UNL     1      -6.324  -1.186   0.715  1.00  0.00           C  
HETATM   47  O14 UNL     1      -7.021  -1.519   1.875  1.00  0.00           O  
HETATM   48  P3  UNL     1      -6.360  -2.806   2.705  1.00  0.00           P  
HETATM   49  O15 UNL     1      -5.538  -2.241   3.866  1.00  0.00           O  
HETATM   50  O16 UNL     1      -5.386  -3.788   1.751  1.00  0.00           O  
HETATM   51  O17 UNL     1      -7.625  -3.691   3.402  1.00  0.00           O  
HETATM   52  H1  UNL     1      10.716   0.049  -0.677  1.00  0.00           H  
HETATM   53  H2  UNL     1      11.166   0.464   1.004  1.00  0.00           H  
HETATM   54  H3  UNL     1      12.183   1.087  -0.355  1.00  0.00           H  
HETATM   55  H4  UNL     1       9.617  -2.361  -0.764  1.00  0.00           H  
HETATM   56  H5  UNL     1       9.877  -4.096  -0.250  1.00  0.00           H  
HETATM   57  H6  UNL     1       9.833  -3.373   2.117  1.00  0.00           H  
HETATM   58  H7  UNL     1       8.330  -3.269   1.144  1.00  0.00           H  
HETATM   59  H8  UNL     1       9.604  -1.103   2.630  1.00  0.00           H  
HETATM   60  H9  UNL     1       7.644   0.909   2.364  1.00  0.00           H  
HETATM   61  H10 UNL     1       9.169   1.465   1.625  1.00  0.00           H  
HETATM   62  H11 UNL     1       7.999   1.708  -0.574  1.00  0.00           H  
HETATM   63  H12 UNL     1       7.232   2.664   0.812  1.00  0.00           H  
HETATM   64  H13 UNL     1       5.924   0.169   0.749  1.00  0.00           H  
HETATM   65  H14 UNL     1       3.975  -0.103  -1.320  1.00  0.00           H  
HETATM   66  H15 UNL     1       3.580   2.520  -2.120  1.00  0.00           H  
HETATM   67  H16 UNL     1       4.051   0.657   2.120  1.00  0.00           H  
HETATM   68  H17 UNL     1       2.508  -0.180   2.021  1.00  0.00           H  
HETATM   69  H18 UNL     1       3.841  -0.914   1.139  1.00  0.00           H  
HETATM   70  H19 UNL     1       1.936   2.214   1.539  1.00  0.00           H  
HETATM   71  H20 UNL     1       3.676   2.675   1.210  1.00  0.00           H  
HETATM   72  H21 UNL     1       2.437   2.959  -0.068  1.00  0.00           H  
HETATM   73  H22 UNL     1       1.725  -0.643  -0.585  1.00  0.00           H  
HETATM   74  H23 UNL     1       0.959   0.319   0.787  1.00  0.00           H  
HETATM   75  H24 UNL     1      -0.135  -1.568  -2.210  1.00  0.00           H  
HETATM   76  H25 UNL     1      -1.759   1.568   2.714  1.00  0.00           H  
HETATM   77  H26 UNL     1      -4.299   0.089  -0.529  1.00  0.00           H  
HETATM   78  H27 UNL     1      -4.263   1.588   0.420  1.00  0.00           H  
HETATM   79  H28 UNL     1      -6.155   0.679   1.804  1.00  0.00           H  
HETATM   80  H29 UNL     1      -8.518   0.249   0.492  1.00  0.00           H  
HETATM   81  H30 UNL     1      -6.843   0.490  -2.985  1.00  0.00           H  
HETATM   82  H31 UNL     1     -10.814   1.654  -5.600  1.00  0.00           H  
HETATM   83  H32 UNL     1     -11.823   3.119  -5.207  1.00  0.00           H  
HETATM   84  H33 UNL     1     -12.787   1.783  -0.662  1.00  0.00           H  
HETATM   85  H34 UNL     1      -6.621  -1.281  -1.388  1.00  0.00           H  
HETATM   86  H35 UNL     1      -7.854  -2.978   0.029  1.00  0.00           H  
HETATM   87  H36 UNL     1      -5.448  -1.840   0.548  1.00  0.00           H  
HETATM   88  H37 UNL     1      -5.192  -4.617   2.237  1.00  0.00           H  
HETATM   89  H38 UNL     1      -8.153  -3.032   3.934  1.00  0.00           H  
CONECT    1    2   52   53   54
CONECT    2    3    3    4
CONECT    4    5
CONECT    5    6   55   56
CONECT    6    7   57   58
CONECT    7    8   59
CONECT    8    9    9   10
CONECT   10   11   60   61
CONECT   11   12   62   63
CONECT   12   13   64
CONECT   13   14   14   15
CONECT   15   16   17   65
CONECT   16   66
CONECT   17   18   19   20
CONECT   18   67   68   69
CONECT   19   70   71   72
CONECT   20   21   73   74
CONECT   21   22
CONECT   22   23   23   24   25
CONECT   24   75
CONECT   25   26
CONECT   26   27   27   28   29
CONECT   28   76
CONECT   29   30
CONECT   30   31   77   78
CONECT   31   32   46   79
CONECT   32   33
CONECT   33   34   44   80
CONECT   34   35   43
CONECT   35   36   36   81
CONECT   36   37
CONECT   37   38   38   43
CONECT   38   39   40
CONECT   39   82   83
CONECT   40   41   41
CONECT   41   42   84
CONECT   42   43   43
CONECT   44   45   46   85
CONECT   45   86
CONECT   46   47   87
CONECT   47   48
CONECT   48   49   49   50   51
CONECT   50   88
CONECT   51   89
END

HMDB0001206
     RDKit          3D
Acetyl-CoA
 89 91  0  0  0  0  0  0  0  0999 V2000
   11.5647    0.2166    0.0112 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3766   -1.0204    0.0739 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6150   -0.8189    0.1624 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8218   -2.6646    0.0400 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.1049   -3.0216    0.0368 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3475   -2.7605    1.2881 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1833   -1.4211    1.7256 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4459   -0.4828    0.9490 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9546   -0.8570   -0.1379 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2538    0.9002    1.4050 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4409    1.6602    0.3667 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1468    1.0226    0.1948 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1683    1.5065   -0.7021 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5067    2.5551   -1.3604 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8493    0.9313   -0.9347 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1941    1.6419   -1.9456 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9343    0.8772    0.2424 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4308    0.0707    1.4094 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7235    2.2993    0.7848 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5572    0.3557   -0.1214 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9270    1.1350   -1.0623 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5971    0.4172   -1.3543 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.9844    0.8289   -2.7764 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5114   -1.2537   -1.3326 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7688    1.0362   -0.3197 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0375    0.0882    1.0294 P   0  0  0  0  0  5  0  0  0  0  0  0
   -1.3824   -1.2892    0.8829 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2418    0.8318    2.3501 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6528   -0.1701    1.3584 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4974    0.5072    0.4823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9512    0.2592    0.7984 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.7141    0.9608   -0.1096 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8514    0.2098   -0.3733 C   0  0  1  0  0  0  0  0  0  0  0  0
   -8.4519    0.6675   -1.5904 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8741    0.7633   -2.7988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7459    1.2336   -3.7039 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9159    1.4458   -3.0592 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1217    1.9191   -3.5253 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2752    2.2756   -4.8987 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1183    2.0215   -2.6285 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9378    1.6763   -1.3415 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7624    1.2139   -0.8831 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7296    1.0906   -1.7355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2563   -1.1891   -0.5052 C   0  0  2  0  0  0  0  0  0  0  0  0
   -8.2306   -2.1559   -0.3956 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3244   -1.1865    0.7146 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.0214   -1.5195    1.8753 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3595   -2.8062    2.7050 P   0  0  0  0  0  5  0  0  0  0  0  0
   -5.5384   -2.2409    3.8664 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3857   -3.7884    1.7510 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6250   -3.6912    3.4017 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7156    0.0489   -0.6766 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1660    0.4638    1.0037 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1826    1.0875   -0.3552 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6167   -2.3614   -0.7640 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8768   -4.0962   -0.2498 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8331   -3.3733    2.1174 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3301   -3.2687    1.1443 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6043   -1.1035    2.6297 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6435    0.9089    2.3644 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1687    1.4650    1.6251 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9987    1.7079   -0.5741 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2316    2.6635    0.8121 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9242    0.1686    0.7492 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9746   -0.1030   -1.3204 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5804    2.5200   -2.1197 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0509    0.6569    2.1199 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5079   -0.1798    2.0206 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8410   -0.9136    1.1393 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9359    2.2143    1.5386 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6765    2.6746    1.2100 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4371    2.9593   -0.0683 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7252   -0.6426   -0.5851 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9588    0.3188    0.7868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1346   -1.5681   -2.2101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7594    1.5683    2.7142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2988    0.0888   -0.5288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2629    1.5881    0.4204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1552    0.6790    1.8043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5177    0.2485    0.4921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8433    0.4905   -2.9852 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8137    1.6544   -5.6003 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8225    3.1190   -5.2074 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7867    1.7826   -0.6621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6209   -1.2812   -1.3883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8538   -2.9778    0.0286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4479   -1.8396    0.5483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1922   -4.6173    2.2372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1534   -3.0324    3.9337 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 17 19  1  0
 17 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 22 25  1  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
 26 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  2  0
 38 39  1  0
 38 40  1  0
 40 41  2  0
 41 42  1  0
 42 43  2  0
 33 44  1  0
 44 45  1  0
 44 46  1  0
 46 47  1  0
 47 48  1  0
 48 49  2  0
 48 50  1  0
 48 51  1  0
 46 31  1  0
 43 34  1  0
 43 37  1  0
  1 52  1  0
  1 53  1  0
  1 54  1  0
  5 55  1  0
  5 56  1  0
  6 57  1  0
  6 58  1  0
  7 59  1  0
 10 60  1  0
 10 61  1  0
 11 62  1  0
 11 63  1  0
 12 64  1  0
 15 65  1  6
 16 66  1  0
 18 67  1  0
 18 68  1  0
 18 69  1  0
 19 70  1  0
 19 71  1  0
 19 72  1  0
 20 73  1  0
 20 74  1  0
 24 75  1  0
 28 76  1  0
 30 77  1  0
 30 78  1  0
 31 79  1  1
 33 80  1  1
 35 81  1  0
 39 82  1  0
 39 83  1  0
 41 84  1  0
 44 85  1  6
 45 86  1  0
 46 87  1  6
 50 88  1  0
 51 89  1  0
M  END

Synonyms

Value	Source
AcCoA	ChEBI
Acetyl coenzyme A	ChEBI
S-Acetyl-CoA	ChEBI
S-Acetyl-coenzyme A	ChEBI
Acetyl CoA	MeSH
CoA, Acetyl	MeSH
coenzyme A, Acetyl	MeSH
Ac-CoA	HMDB
Ac-coenzyme A	HMDB
Ac-S-CoA	HMDB
Ac-S-coenzyme A	HMDB
Acetyl-coenzyme A	HMDB
Acetyl-S-CoA	HMDB
Acetyl-S-coenzyme A	HMDB
Acetylcoenzyme A	HMDB
S-Acetate CoA	HMDB
S-Acetate coenzyme A	HMDB
S-Acetyl coenzyme A	HMDB

Molecular Formula

C₂₃H₃₈N₇O₁₇P₃S

Average Mass

809.571

Monoisotopic Mass

809.125773051

IUPAC Name

{[(2R,3S,4R,5R)-2-({[({[(3R)-3-[(2-{[2-(acetylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-5-(6-amino-9H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy}phosphonic acid

Traditional Name

acetyl-CoA

CAS Registry Number

72-89-9

SMILES

CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N

InChI Identifier

InChI=1S/C23H38N7O17P3S/c1-12(31)51-7-6-25-14(32)4-5-26-21(35)18(34)23(2,3)9-44-50(41,42)47-49(39,40)43-8-13-17(46-48(36,37)38)16(33)22(45-13)30-11-29-15-19(24)27-10-28-20(15)30/h10-11,13,16-18,22,33-34H,4-9H2,1-3H3,(H,25,32)(H,26,35)(H,39,40)(H,41,42)(H2,24,27,28)(H2,36,37,38)/t13-,16-,17-,18+,22-/m1/s1

InChI Key

ZSLZBFCDCINBPY-ZSJPKINUSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as acyl coas. These are organic compounds containing a coenzyme A substructure linked to an acyl chain.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty acyl thioesters

Direct Parent

Acyl CoAs

Alternative Parents

Substituents

Coenzyme a or derivatives
Purine ribonucleoside 3',5'-bisphosphate
Purine ribonucleoside bisphosphate
Purine ribonucleoside diphosphate
Ribonucleoside 3'-phosphate
Pentose phosphate
Pentose-5-phosphate
Beta amino acid or derivatives
Glycosyl compound
N-glycosyl compound
6-aminopurine
Monosaccharide phosphate
Organic pyrophosphate
Pentose monosaccharide
Imidazopyrimidine
Purine
Monoalkyl phosphate
Aminopyrimidine
Imidolactam
N-acyl-amine
N-substituted imidazole
Organic phosphoric acid derivative
Monosaccharide
Pyrimidine
Alkyl phosphate
Fatty amide
Phosphoric acid ester
Tetrahydrofuran
Imidazole
Azole
Heteroaromatic compound
Carbothioic s-ester
Secondary alcohol
Thiocarboxylic acid ester
Carboxamide group
Secondary carboxylic acid amide
Amino acid or derivatives
Sulfenyl compound
Thiocarboxylic acid or derivatives
Organoheterocyclic compound
Azacycle
Oxacycle
Carboxylic acid derivative
Organosulfur compound
Organic oxygen compound
Hydrocarbon derivative
Carbonyl group
Organic nitrogen compound
Primary amine
Organopnictogen compound
Organic oxide
Organooxygen compound
Organonitrogen compound
Alcohol
Amine
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

acyl-CoA (CHEBI:15351 )

Functional Ontology

Not Available

Physical Properties

State

Solid

Predicted Properties

Property	Value	Source
Water Solubility	4.3 g/L	ALOGPS
logP	-0.58	ALOGPS
logP	-5.9	ChemAxon
logS	-2.3	ALOGPS
pKa (Strongest Acidic)	0.82	ChemAxon
pKa (Strongest Basic)	4.01	ChemAxon
Physiological Charge	-4	ChemAxon
Hydrogen Acceptor Count	17	ChemAxon
Hydrogen Donor Count	9	ChemAxon
Polar Surface Area	363.63 Å²	ChemAxon
Rotatable Bond Count	20	ChemAxon
Refractivity	172.21 m³·mol⁻¹	ChemAxon
Polarizability	70.62 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-10-19	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-19	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-19	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-19	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-19	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-19	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-19	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-10-19	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT 35V, positive	splash10-0fb9-0035910000-cecfaf54528fc3ef9f00	2020-07-21	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT 35V, positive	splash10-0ufr-0005900000-491971eb7a5c2b327554	2020-07-21	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT 35V, negative	splash10-0a4i-0900000000-1b259612c3897ed851f0	2020-07-21	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT 35V, negative	splash10-08i0-0001901200-8d4f5232c27f2875cf8b	2020-07-21	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT 35V, negative	splash10-08i0-0000901200-33f8d3ced8c83336df0c	2020-07-21	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 33V, Negative	splash10-0a4i-1101800090-5031dc04edf8ba0f3afb	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 33V, Negative	splash10-0a4i-1101900080-6691464da5a030f7d086	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 33V, Negative	splash10-0a4i-1101900080-8a1491c56fc1331c5df1	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 33V, Negative	splash10-0a4i-1101900080-9ec3eecc20f19a822002	2021-09-20	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-000i-1901000300-57c996f08055dba75dd7	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-000i-0902000000-dffb00601bfc54014ae4	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-000i-2901000000-155f0890adf4c76dca85	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0arr-6820231930-984ae0f98e0d17e4a7fc	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-003r-3910100000-87da6b6d742efbc6e74a	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-057i-5900000000-8701decc3b2311880b97	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0a4i-0000000090-fd17a06b039262f96463	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-05vx-9100203430-9e39d5da3afdd3a15f91	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-00b9-9101401200-719cb55952a06d96d3c8	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-03di-0000000090-02de4c2ee732e6d50b2d	2021-09-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-01p9-1901002440-79ee9e61778bd08a750f	2021-09-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0udi-0209000000-84f7f68fc2e83a8ae770	2021-09-23	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-25	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	624.7
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-23	520.4
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (eluted)	2025-10-23	264.8
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-23	412.9
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-23	350.2
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (eluted)	2025-10-23	171.9
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	1056.4
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	851.7
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-23	361.4
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	143.8
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	370.5
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	162.5
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	87.4
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	477.6
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	504.3
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	74.1
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	233.4
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-23	659.3
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-23	628.4

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	Acetyl-CoA_TMS_1	CC(=O)SCCNC(=O)CCNC(=O)[C@H](O[Si](C)(C)C)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1OP(=O)(O)O	standard non polar	2025-10-23	1244.21
Gas Chromatography	Acetyl-CoA_TMS_2	CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	standard non polar	2025-10-23	2050.02
Gas Chromatography	Acetyl-CoA_TMS_3	CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1OP(=O)(O)O	standard non polar	2025-10-23	1125.12
Gas Chromatography	Acetyl-CoA_TMS_4	CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1OP(=O)(O)O)O[Si](C)(C)C	standard non polar	2025-10-23	1254.43
Gas Chromatography	Acetyl-CoA_TMS_5	CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1OP(=O)(O)O[Si](C)(C)C	standard non polar	2025-10-23	1286.31
Gas Chromatography	Acetyl-CoA_TMS_6	CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1OP(=O)(O)O	standard non polar	2025-10-23	3144.91
Gas Chromatography	Acetyl-CoA_TMS_7	CC(=O)SCCN(C(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1OP(=O)(O)O)[Si](C)(C)C	standard non polar	2025-10-23	2830.79
Gas Chromatography	Acetyl-CoA_TMS_8	CC(=O)SCCNC(=O)CCN(C(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1OP(=O)(O)O)[Si](C)(C)C	standard non polar	2025-10-23	1687.98
Gas Chromatography	Acetyl-CoA_TMS_1	CC(=O)SCCNC(=O)CCNC(=O)[C@H](O[Si](C)(C)C)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1OP(=O)(O)O	standard polar	2025-10-23	1244.19
Gas Chromatography	Acetyl-CoA_TMS_2	CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	standard polar	2025-10-23	3252.5
Gas Chromatography	Acetyl-CoA_TMS_3	CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1OP(=O)(O)O	standard polar	2025-10-23	669.896
Gas Chromatography	Acetyl-CoA_TMS_4	CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1OP(=O)(O)O)O[Si](C)(C)C	standard polar	2025-10-23	3097.26
Gas Chromatography	Acetyl-CoA_TMS_5	CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1OP(=O)(O)O[Si](C)(C)C	standard polar	2025-10-23	878.149
Gas Chromatography	Acetyl-CoA_TMS_6	CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1OP(=O)(O)O	standard polar	2025-10-23	2543.61
Gas Chromatography	Acetyl-CoA_TMS_7	CC(=O)SCCN(C(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1OP(=O)(O)O)[Si](C)(C)C	standard polar	2025-10-23	3095.58
Gas Chromatography	Acetyl-CoA_TMS_8	CC(=O)SCCNC(=O)CCN(C(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1OP(=O)(O)O)[Si](C)(C)C	standard polar	2025-10-23	2184.59

Biological Properties

Cellular Locations

Cytoplasm
Endoplasmic reticulum
Extracellular
Golgi apparatus
Membrane
Mitochondria
Nucleus
Peroxisome

Biospecimen Locations

Adipose Tissue
Brain
Feces
Platelet
Prostate
Skeletal Muscle
Spleen

Tissue Locations

Adipose Tissue
Brain
Platelet
Prostate
Skeletal Muscle
Spleen

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species
MMDBp0191685	Hydroxymethylglutaryl-CoA lyase, mitochondrial	Enzyme	P35914	Homo sapiens
MMDBp0191686	ATP-citrate synthase	Enzyme	P53396	Homo sapiens
MMDBp0191687	Histone acetyltransferase p300	Unknown	Q09472	Homo sapiens
MMDBp0191688	Pyruvate dehydrogenase E1 component subunit beta, mitochondrial	Enzyme	P11177	Homo sapiens
MMDBp0191689	Acetyl-CoA acetyltransferase, cytosolic	Enzyme	Q9BWD1	Homo sapiens
MMDBp0191690	CREB-binding protein	Unknown	Q92793	Homo sapiens
MMDBp0191691	Diamine acetyltransferase 2	Enzyme	Q96F10	Homo sapiens
MMDBp0191692	Malonyl-CoA decarboxylase, mitochondrial	Enzyme	O95822	Homo sapiens
MMDBp0191694	Acetyl-CoA carboxylase 2	Unknown	O00763	Homo sapiens
MMDBp0191695	Pyruvate carboxylase, mitochondrial	Unknown	P11498	Homo sapiens
MMDBp0191696	Arylamine N-acetyltransferase 1	Enzyme	P18440	Homo sapiens
MMDBp0191697	Arylamine N-acetyltransferase 2	Enzyme	P11245	Homo sapiens
MMDBp0191698	5-aminolevulinate synthase, nonspecific, mitochondrial	Unknown	P13196	Homo sapiens
MMDBp0191699	General transcription factor 3C polypeptide 4	Enzyme	Q9UKN8	Homo sapiens
MMDBp0191700	Acyl-coenzyme A thioesterase 12	Enzyme	Q8WYK0	Homo sapiens
MMDBp0191701	Choline O-acetyltransferase	Enzyme	P28329	Homo sapiens
MMDBp0191702	Nuclear receptor coactivator 3	Enzyme	Q9Y6Q9	Homo sapiens
MMDBp0191703	Histone acetyltransferase KAT2B	Enzyme	Q92831	Homo sapiens
MMDBp0191704	Carnitine O-acetyltransferase	Enzyme	P43155	Homo sapiens
MMDBp0191705	Diamine acetyltransferase 1	Enzyme	P21673	Homo sapiens
MMDBp0191706	Serotonin N-acetyltransferase	Enzyme	Q16613	Homo sapiens
MMDBp0191707	3-ketoacyl-CoA thiolase, mitochondrial	Enzyme	P42765	Homo sapiens
MMDBp0191708	Testis-specific chromodomain protein Y 1	Enzyme	Q9Y6F8	Homo sapiens
MMDBp0191709	Fatty acid synthase	Enzyme	P49327	Homo sapiens
MMDBp0191710	Histone acetyltransferase KAT5	Enzyme	Q92993	Homo sapiens
MMDBp0191711	Acetyl-coenzyme A synthetase, cytoplasmic	Enzyme	Q9NR19	Homo sapiens
MMDBp0191712	Acetyl-CoA acetyltransferase, mitochondrial	Enzyme	P24752	Homo sapiens
MMDBp0191713	Nuclear receptor coactivator 1	Enzyme	Q15788	Homo sapiens
MMDBp0191714	Hydroxymethylglutaryl-CoA synthase, mitochondrial	Enzyme	P54868	Homo sapiens
MMDBp0191716	Acetyl-coenzyme A synthetase 2-like, mitochondrial	Enzyme	Q9NUB1	Homo sapiens
MMDBp0191717	Citrate synthase, mitochondrial	Enzyme	O75390	Homo sapiens
MMDBp0191718	Testis-specific chromodomain protein Y 2	Enzyme	Q9Y6F7	Homo sapiens
MMDBp0191719	3-ketoacyl-CoA thiolase, peroxisomal	Enzyme	P09110	Homo sapiens
MMDBp0191720	Pyruvate dehydrogenase E1 component subunit alpha, somatic form, mitochondrial	Enzyme	P08559	Homo sapiens
MMDBp0191721	Acetyl-CoA carboxylase 1	Unknown	Q13085	Homo sapiens
MMDBp0191722	Trifunctional enzyme subunit beta, mitochondrial	Enzyme	P55084	Homo sapiens
MMDBp0191723	2-amino-3-ketobutyrate coenzyme A ligase, mitochondrial	Enzyme	O75600	Homo sapiens
MMDBp0191724	Pyruvate dehydrogenase E1 component subunit alpha, testis-specific form, mitochondrial	Enzyme	P29803	Homo sapiens
MMDBp0191725	Methylmalonate-semialdehyde dehydrogenase [acylating], mitochondrial	Unknown	Q02252	Homo sapiens
MMDBp0191726	Glucosamine 6-phosphate N-acetyltransferase	Enzyme	Q96EK6	Homo sapiens
MMDBp0191727	Hydroxymethylglutaryl-CoA synthase, cytoplasmic	Enzyme	Q01581	Homo sapiens
MMDBp0191728	Dihydrolipoyl dehydrogenase, mitochondrial	Unknown	P09622	Homo sapiens
MMDBp0191729	Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex, mitochondrial	Enzyme	P10515	Homo sapiens
MMDBp0191775	Long-chain specific acyl-CoA dehydrogenase, mitochondrial	Unknown	P28330	Homo sapiens
MMDBp0191776	Short-chain specific acyl-CoA dehydrogenase, mitochondrial	Unknown	P16219	Homo sapiens
MMDBp0191777	Medium-chain specific acyl-CoA dehydrogenase, mitochondrial	Unknown	P11310	Homo sapiens
MMDBp0191817	Peroxisomal acyl-coenzyme A oxidase 1	Unknown	Q15067	Homo sapiens
MMDBp0191835	Peroxisomal acyl-coenzyme A oxidase 2	Unknown	Q99424	Homo sapiens
MMDBp0191837	Isovaleryl-CoA dehydrogenase, mitochondrial	Unknown	P26440	Homo sapiens
MMDBp0191863	Peroxisomal acyl-coenzyme A oxidase 3	Unknown	O15254	Homo sapiens
MMDBp0191873	Glutaryl-CoA dehydrogenase, mitochondrial	Unknown	Q92947	Homo sapiens
MMDBp0191896	Hepatic triacylglycerol lipase	Enzyme	P11150	Homo sapiens
MMDBp0191913	Diacylglycerol O-acyltransferase 1	Enzyme	O75907	Homo sapiens
MMDBp0191969	2-oxoisovalerate dehydrogenase subunit beta, mitochondrial	Enzyme	P21953	Homo sapiens
MMDBp0191970	2-oxoisovalerate dehydrogenase subunit alpha, mitochondrial	Unknown	P12694	Homo sapiens
MMDBp0191983	Acyl-CoA desaturase	Unknown	O00767	Homo sapiens
MMDBp0192056	Trifunctional enzyme subunit alpha, mitochondrial	Unknown	P40939	Homo sapiens
MMDBp0192156	Sterol O-acyltransferase 2	Enzyme	O75908	Homo sapiens
MMDBp0192159	Sterol O-acyltransferase 1	Enzyme	P35610	Homo sapiens
MMDBp0192168	N-acetylglutamate synthase, mitochondrial	Enzyme	Q8N159	Homo sapiens
MMDBp0192196	Bile acid-CoA:amino acid N-acyltransferase	Enzyme	Q14032	Homo sapiens
MMDBp0192214	Long-chain-fatty-acid--CoA ligase 4	Unknown	O60488	Homo sapiens
MMDBp0192221	Long-chain-fatty-acid--CoA ligase 1	Unknown	P33121	Homo sapiens
MMDBp0192264	Long-chain-fatty-acid--CoA ligase 6	Unknown	Q9UKU0	Homo sapiens
MMDBp0192285	Long-chain-fatty-acid--CoA ligase 5	Unknown	Q9ULC5	Homo sapiens
MMDBp0192288	Long-chain-fatty-acid--CoA ligase 3	Unknown	O95573	Homo sapiens
MMDBp0192458	Glycerol-3-phosphate acyltransferase 1, mitochondrial	Enzyme	Q9HCL2	Homo sapiens
MMDBp0192622	Trans-2-enoyl-CoA reductase, mitochondrial	Unknown	Q9BV79	Homo sapiens
MMDBp0192623	Peroxisomal trans-2-enoyl-CoA reductase	Enzyme	Q9BY49	Homo sapiens
MMDBp0192655	Cytosolic acyl coenzyme A thioester hydrolase	Enzyme	O00154	Homo sapiens
MMDBp0192656	Acyl-coenzyme A thioesterase 2, mitochondrial	Enzyme	P49753	Homo sapiens
MMDBp0192657	Acyl-coenzyme A thioesterase 4	Enzyme	Q8N9L9	Homo sapiens
MMDBp0192658	Acyl-coenzyme A thioesterase 8	Enzyme	O14734	Homo sapiens
MMDBp0193098	Dihydroxyacetone phosphate acyltransferase	Enzyme	O15228	Homo sapiens
MMDBp0193131	1-acyl-sn-glycerol-3-phosphate acyltransferase gamma	Enzyme	Q9NRZ7	Homo sapiens
MMDBp0193133	1-acyl-sn-glycerol-3-phosphate acyltransferase beta	Enzyme	O15120	Homo sapiens
MMDBp0193135	1-acyl-sn-glycerol-3-phosphate acyltransferase alpha	Enzyme	Q99943	Homo sapiens
MMDBp0193161	Short/branched chain specific acyl-CoA dehydrogenase, mitochondrial	Unknown	P45954	Homo sapiens
MMDBp0193343	Very long-chain acyl-CoA synthetase	Enzyme	O14975	Homo sapiens
MMDBp0193442	Peroxisome proliferator-activated receptor gamma	Enzyme	P37231	Homo sapiens
MMDBp0193452	Peroxisome proliferator-activated receptor alpha	Enzyme	Q07869	Homo sapiens
MMDBp0193506	Peroxisome proliferator-activated receptor delta	Enzyme	Q03181	Homo sapiens
MMDBp0193514	Acyl-CoA-binding protein	Enzyme	P07108	Homo sapiens
MMDBp0193570	Histone acetyltransferase KAT2A	Enzyme	Q92830	Homo sapiens
MMDBp0193645	Fatty acid-binding protein, heart	Enzyme	P05413	Homo sapiens
MMDBp0193760	1-acyl-sn-glycerol-3-phosphate acyltransferase epsilon	Enzyme	Q9NUQ2	Homo sapiens
MMDBp0193774	Acetyl-coenzyme A transporter 1	Enzyme	O00400	Homo sapiens
MMDBp0193786	Bile acyl-CoA synthetase	Enzyme	Q9Y2P5	Homo sapiens
MMDBp0193802	Lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex, mitochondrial	Enzyme	P11182	Homo sapiens
MMDBp0193807	2-acylglycerol O-acyltransferase 2	Enzyme	Q3SYC2	Homo sapiens
MMDBp0193832	Long-chain fatty acid transport protein 3	Enzyme	Q5K4L6	Homo sapiens
MMDBp0193856	Long-chain fatty acid transport protein 1	Transporter	Q6PCB7	Homo sapiens
MMDBp0193877	Acyl-CoA dehydrogenase family member 10	Enzyme	Q6JQN1	Homo sapiens
MMDBp0193881	Acyl-CoA dehydrogenase family member 11	Enzyme	Q709F0	Homo sapiens
MMDBp0193899	Glycerol-3-phosphate acyltransferase 4	Enzyme	Q86UL3	Homo sapiens
MMDBp0193962	Acyl-coenzyme A synthetase ACSM1, mitochondrial	Unknown	Q08AH1	Homo sapiens
MMDBp0193979	Diacylglycerol O-acyltransferase 2	Enzyme	Q96PD7	Homo sapiens
MMDBp0193980	1-acyl-sn-glycerol-3-phosphate acyltransferase delta	Enzyme	Q9NRZ5	Homo sapiens
MMDBp0193981	2-acylglycerol O-acyltransferase 1	Enzyme	Q96PD6	Homo sapiens
MMDBp0193988	3-hydroxymethyl-3-methylglutaryl-CoA lyase, cytoplasmic	Enzyme	Q8TB92	Homo sapiens
MMDBp0193998	Isobutyryl-CoA dehydrogenase, mitochondrial	Unknown	Q9UKU7	Homo sapiens
MMDBp0193999	Acyl-CoA dehydrogenase family member 9, mitochondrial	Unknown	Q9H845	Homo sapiens
MMDBp0194042	Long-chain fatty acid transport protein 4	Enzyme	Q6P1M0	Homo sapiens
MMDBp0194068	Fatty acyl-CoA reductase 1	Enzyme	Q8WVX9	Homo sapiens
MMDBp0194069	Fatty acyl-CoA reductase 2	Enzyme	Q96K12	Homo sapiens
MMDBp0194074	Acyl-CoA wax alcohol acyltransferase 1	Enzyme	Q58HT5	Homo sapiens
MMDBp0194075	Acyl-CoA wax alcohol acyltransferase 2	Enzyme	Q6E213	Homo sapiens
MMDBp0194076	Diacylglycerol O-acyltransferase 2-like protein 6	Enzyme	Q6ZPD8	Homo sapiens
MMDBp0194077	Putative diacylglycerol O-acyltransferase 2-like protein 7	Enzyme	Q6IED9	Homo sapiens
MMDBp0194080	2-acylglycerol O-acyltransferase 3	Enzyme	Q86VF5	Homo sapiens
MMDBp0194083	Lysophospholipid acyltransferase 5	Enzyme	Q6P1A2	Homo sapiens
MMDBp0194085	Lysophosphatidylcholine acyltransferase 1	Unknown	Q8NF37	Homo sapiens
MMDBp0194086	Lysophosphatidylcholine acyltransferase 2	Enzyme	Q7L5N7	Homo sapiens
MMDBp0194104	Lysocardiolipin acyltransferase 1	Enzyme	Q6UWP7	Homo sapiens
MMDBp0191672	Lysophospholipid acyltransferase LPCAT4	Enzyme	Q643R3	Escherichia coli (strain K12)
MMDBp0194108	Glycerol-3-phosphate acyltransferase 3	Enzyme	Q53EU6	Homo sapiens
MMDBp0194143	Glycine N-acyltransferase	Enzyme	Q6IB77	Homo sapiens
MMDBp0194144	Glycine N-acyltransferase-like protein 1	Enzyme	Q969I3	Homo sapiens
MMDBp0194145	Glycine N-acyltransferase-like protein 2	Enzyme	Q8WU03	Homo sapiens
MMDBp0194147	Dihydrolipoamide S-acetyltransferase	Enzyme	Q86YI5	Homo sapiens
MMDBp0194156	Arylamine N-acetyltransferase 2	Enzyme	A4Z6T7	Homo sapiens
MMDBp0194159	Enoyl-CoA delta isomerase 2, mitochondrial	Enzyme	O75521	Homo sapiens
MMDBp0194177	Acyl-CoA synthetase family member 4	Enzyme	Q4L235	Homo sapiens
MMDBp0194181	ACSS2 protein	Enzyme	Q96FY7	Homo sapiens
MMDBp0195030	Very long-chain specific acyl-CoA dehydrogenase, mitochondrial	Unknown	P49748	Homo sapiens
MMDBp0195031	Acyl-coenzyme A oxidase-like protein	Unknown	Q9NUZ1	Homo sapiens
MMDBp0195070	Acyl-coenzyme A synthetase ACSM6, mitochondrial	Unknown	Q6P461	Homo sapiens
MMDBp0195466	Acyl-coenzyme A synthetase ACSM2A, mitochondrial	Unknown	Q08AH3	Homo sapiens
MMDBp0195467	Acyl-coenzyme A synthetase ACSM2B, mitochondrial	Unknown	Q68CK6	Homo sapiens
MMDBp0195468	Acyl-coenzyme A synthetase ACSM3, mitochondrial	Unknown	Q53FZ2	Homo sapiens
MMDBp0195469	Acyl-coenzyme A synthetase ACSM5, mitochondrial	Unknown	Q6NUN0	Homo sapiens
MMDBp0195550	Peroxisomal coenzyme A diphosphatase NUDT7	Unknown	P0C024	Homo sapiens
MMDBp0195764	Elongator complex protein 3	Unknown	Q9H9T3	Homo sapiens
MMDBp0195868	Acyl-coenzyme A synthetase ACSM4, mitochondrial	Unknown	P0C7M7	Homo sapiens
MMDBp0195915	3-oxoacyl-[acyl-carrier-protein] synthase, mitochondrial	Enzyme	Q9NWU1	Homo sapiens
MMDBp0196149	Histone acetyltransferase KAT6B	Enzyme	Q8WYB5	Homo sapiens
MMDBp0196150	MYST3 protein	Enzyme	A5PKX7	Homo sapiens
MMDBp0196151	Histone acetyltransferase KAT8	Enzyme	Q9H7Z6	Homo sapiens
MMDBp0196152	Histone acetyltransferase type B catalytic subunit	Enzyme	O14929	Homo sapiens
MMDBp0196217	Glycerol-3-phosphate acyltransferase 2, mitochondrial	Enzyme	Q6NUI2	Homo sapiens
MMDBp0196288	Chromodomain Y-like protein	Enzyme	Q9Y232	Homo sapiens
MMDBp0196510	Peroxisomal D3,D2-enoyl-CoA isomerase isoform 1 variant	Unknown	Q53GC8	Homo sapiens
MMDBp0196511	Peroxisomal D3,D2-enoyl-CoA isomerase isoform 1 variant	Enzyme	Q53HG3	Homo sapiens
MMDBp0196512	Nef-associated protein 1	Enzyme	Q9BU70	Homo sapiens
MMDBp0196513	Peroxisomal D3,D2-enoyl-CoA isomerase isoform 1 variant	Enzyme	Q59E94	Homo sapiens
MMDBp0196514	Acyl-coenzyme A thioesterase 9, mitochondrial	Enzyme	Q9Y305	Homo sapiens
MMDBp0196515	Acyl-CoA synthetase family member 3, mitochondrial	Enzyme	Q4G176	Homo sapiens
MMDBp0196516	Acyl-coenzyme A thioesterase 1	Enzyme	Q86TX2	Homo sapiens
MMDBp0196517	Cytosolic acyl coenzyme A thioester hydrolase-like	Enzyme	Q6ZUV0	Homo sapiens
MMDBp0196518	Acyl-CoA synthetase family member 2, mitochondrial	Enzyme	Q96CM8	Homo sapiens
MMDBp0196519	Acyl-coenzyme A thioesterase 11	Enzyme	Q8WXI4	Homo sapiens
MMDBp0196520	Long-chain-fatty-acid--CoA ligase ACSBG2	Enzyme	Q5FVE4	Homo sapiens
MMDBp0196521	Long-chain-fatty-acid--CoA ligase ACSBG1	Enzyme	Q96GR2	Homo sapiens
MMDBp0196532	Golgi resident protein GCP60	Unknown	Q9H3P7	Homo sapiens
MMDBp0196533	Acyl-CoA-binding domain-containing protein 4	Unknown	Q8NC06	Homo sapiens
MMDBp0196534	Acyl-CoA-binding domain-containing protein 5	Unknown	Q5T8D3	Homo sapiens
MMDBp0196535	ACAD11 protein	Unknown	Q08AE9	Homo sapiens
MMDBp0196536	Putative uncharacterized protein HADHA	Unknown	Q53T69	Homo sapiens
MMDBp0196537	KIAA1996 protein	Unknown	Q8NCM9	Homo sapiens
MMDBp0196538	Benzodiazepine receptor ligand	Unknown	Q71U42	Homo sapiens
MMDBp0196539	Putative uncharacterized protein HADHA	Unknown	Q53TA2	Homo sapiens
MMDBp0196540	Acyl-CoA-binding domain-containing protein 6	Unknown	Q9BR61	Homo sapiens
MMDBp0196541	PECI protein	Unknown	Q6IBN4	Homo sapiens
MMDBp0196542	Acyl-Coenzyme A binding domain containing 5	Unknown	Q5T8E0	Homo sapiens
MMDBp0196543	Acyl-CoA-binding domain-containing protein 7	Unknown	Q8N6N7	Homo sapiens
MMDBp0196544	Fatty acid-binding protein, intestinal	Unknown	P12104	Homo sapiens
MMDBp0196647	Circadian locomoter output cycles protein kaput	Enzyme	O15516	Homo sapiens
MMDBp0196658	Histone acetyltransferase KAT7	Enzyme	O95251	Homo sapiens
MMDBp0196678	Acyl-CoA synthetase short-chain family member 3, mitochondrial	Unknown	Q9H6R3
MMDBp0196702	Alpha-tubulin N-acetyltransferase	Unknown	Q5SQI0
MMDBp0196841	Heparan-alpha-glucosaminide N-acetyltransferase	Unknown	Q68CP4
MMDBp0196859	Histone acetyltransferase KAT6A	Unknown	Q92794
MMDBp0196897	N-alpha-acetyltransferase 10	Unknown	P41227
MMDBp0196898	N-alpha-acetyltransferase 11	Unknown	Q9BSU3
MMDBp0196899	N-alpha-acetyltransferase 20	Unknown	P61599
MMDBp0196900	N-alpha-acetyltransferase 30	Unknown	Q147X3
MMDBp0196901	N-alpha-acetyltransferase 60	Unknown	Q9H7X0
MMDBp0196903	N-acetylaspartate synthetase	Unknown	Q8N9F0
MMDBp0196905	Bifunctional protein NCOAT	Unknown	O60502

Human Pathways

Pathways

Name	SMPDB/PathBank
Acylcarnitine (1‐{[1‐carboxylato‐3‐(trimethylammonio)propan‐2‐ yl]oxy}‐1‐oxoicosa‐5,7,11,14‐tetraen‐9‐yl)peroxy
Acylcarnitine (10E,12E,14E)-16-hydroxy-9-oxooctadeca-10,12,14-trienoylcarnitine
Acylcarnitine (10E,12E,14E)-9-hydroxy-16-oxooctadeca-10,12,14-trienoylcarnitine
Acylcarnitine (10E,12Z)-9-hydroxyoctadeca-10,12-dienoylcarnitine
Acylcarnitine (10E,13E)-Nonadeca-10,13-dienoylcarnitine

Microbial Pathways

Pathways

This table shows at most 5 pathways. For the full list of associated pathways:

See All Associated Bacterial Pathways

Name	SMPDB/PathBank	Species
1-Acyl-sn-glycero-3-phosphoethanolamine (N-C12:0) metabolism		Escherichia coli Pseudomonas aeruginosa Escherichia coli SMS-3-5 Escherichia coli UTI89 Escherichia coli 55989 Escherichia coli SE11 Mycobacterium marinum M Pseudomonas aeruginosa PA7 Actinobacillus succinogenes 130Z Escherichia coli CFT073 Myxococcus xanthus DK 1622 Pseudomonas stutzeri Klebsiella pneumoniae Pseudomonas fluorescens Pf-5 Clostridium saccharoperbutylacetonicum N1-4(HMT) Salmonella enterica Clostridium acetobutylicum ATCC 824 Helicobacter pylori Haemophilus influenzae Haemophilus influenzae Rd KW20 Clostridium perfringens Rhodospirillum rubrum ATCC 11170 Streptomyces avermitilis MA-4680 Shewanella denitrificans OS217 Acinetobacter baumannii Arcobacter butzleri RM4018 Brevibacillus brevis NBRC 100599 Campylobacter fetus subsp. fetus 82-40 Campylobacter hominis ATCC BAA-381 Clostridium perfringens ATCC 13124 Clostridium saccharolyticum Clostridium sticklandii Fusobacterium nucleatum subsp. nucleatum ATCC 25586 Geobacter metallireducens Haemophilus parainfluenzae T3T1 Methylobacterium nodulans Roseburia hominis A2-183 Pelobacter carbinolicus Campylobacter curvus Campylobacter rectus Campylobacter showae Comamonas testosteroni Burkholderia cepacia Pseudomonas fluorescens Pseudomonas mendocina Pseudomonas putida Pseudomonas syringae Xanthomonas campestris Bradyrhizobium japonicum Moraxella catarrhalis Chromobacterium violaceum Citrobacter koseri Proteus mirabilis Shigella boydii Shigella dysenteriae Shigella flexneri Shigella sonnei Aeromonas hydrophila Vibrio vulnificus Campylobacter gracilis Fusobacterium periodonticum Desulfovibrio piger Cytophaga hutchinsonii Streptococcus sanguinis Priestia megaterium Clostridium kluyveri Desulfobacterium autotrophicum Campylobacter upsaliensis Pelobacter propionicus Helicobacter pullorum Helicobacter bilis Sulfurimonas denitrificans Stenotrophomonas maltophilia Leptotrichia buccalis Desulfotomaculum reducens Burkholderia vietnamiensis Sodalis glossinidius Enterobacter cancerogenus Achromobacter xylosoxidans Burkholderia multivorans Burkholderia cenocepacia Methylibium petroleiphilum Citrobacter youngae Burkholderia ambifaria Marvinbryantia formatexigens Alicycliphilus denitrificans Shewanella denitrificans Methylocella silvestris Escherichia albertii Geobacter bemidjiensis Geobacter lovleyi Campylobacter coli Campylobacter hominis Campylobacter jejuni Fusobacterium nucleatum Haemophilus parainfluenzae Klebsiella variicola Achromobacter xylosoxidans A8 Acinetobacter baumannii SDF Acinetobacter baumannii ACICU Acinetobacter baumannii AB0057 Acinetobacter baumannii AB307-0294 Actinobacillus pleuropneumoniae serovar 5b str. L20 Actinobacillus pleuropneumoniae serovar 3 str. JL03 Actinobacillus pleuropneumoniae serovar 7 str. AP76 Aeromonas hydrophila subsp. hydrophila ATCC 7966 Bacillus cereus ATCC 10987 Bacillus megaterium QM B1551 Priestia megaterium DSM 319 Bradyrhizobium japonicum USDA 110 Campylobacter jejuni subsp. jejuni 81-176 Campylobacter curvus 525.92 Citrobacter koseri ATCC BAA-895 Clostridium perfringens str. 13 Clostridium sticklandii DSM 519 Cronobacter sakazakii ATCC BAA-894 Delftia acidovorans SPH-1 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 Helicobacter pylori J99 Helicobacter pylori P12 Klebsiella pneumoniae subsp. pneumoniae MGH 78578 Leptotrichia buccalis C-1013-b Lysinibacillus sphaericus C3-41 Methylobacterium radiotolerans JCM 2831 Methylobacterium populi BJ001 Escherichia coli 042 Acinetobacter calcoaceticus PHEA-2 Edwardsiella tarda FL6-60 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 Rhodococcus erythropolis PR4 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 Stenotrophomonas maltophilia K279a Stenotrophomonas maltophilia R551-3 Streptococcus sanguinis SK36 Vibrio parahaemolyticus RIMD 2210633 Wolinella succinogenes DSM 1740 Yersinia enterocolitica subsp. enterocolitica 8081 Yersinia pseudotuberculosis IP 31758 Spirosoma linguale Cetobacterium somerae ATCC BAA-474 Fusobacterium nucleatum subsp. animalis 4_8 Fusobacterium nucleatum subsp. animalis 7_1 Fusobacterium nucleatum subsp. animalis D11 Fusobacterium nucleatum subsp. vincentii 4_1_13 Beijerinckia indica Bradyrhizobium elkanii Methylobacterium mesophilicum Methylobacterium mesophilicum SR1.6/6 Azorhizobium caulinodans Xanthobacter autotrophicus Alcaligenes faecalis Burkholderia cepacia GG4 Lautropia mirabilis Lautropia mirabilis ATCC 51599 Kingella oralis Kingella oralis ATCC 51147 Neisseria elongata Neisseria elongata subsp. glycolytica ATCC 29315 Methyloversatilis universalis Methyloversatilis universalis FAM5 Bilophila wadsworthia 3_1_6 Desulfovibrio piger ATCC 29098 Arcobacter butzleri Campylobacter gracilis RM3268 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 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 Acinetobacter pittii Acinetobacter haemolyticus Acinetobacter johnsonii Acinetobacter johnsonii SH046 Acinetobacter junii SH205 Grimontia hollisae CIP 101886 Vibrio fluvialis Vibrio fluvialis PG41 Vibrio parahaemolyticus Vibrio mimicus Gordonia terrae C-6 Rhodococcus erythropolis Streptomyces avermitilis Lysinibacillus sphaericus Aneurinibacillus aneurinilyticus Aneurinibacillus aneurinilyticus ATCC 12856 Exiguobacterium aurantiacum Streptococcus australis ATCC 700641 Butyricicoccus pullicaecorum Butyricicoccus pullicaecorum 1.2 Clostridium celatum DSM 1785 Pseudoramibacter alactolyticus ATCC 23263 Clostridium asparagiforme DSM 15981 Clostridium citroniae WAL-17108 [Clostridium] hylemonae DSM 15053 [Clostridium] symbiosum WAL-14163 Flavonifractor plautii ATCC 29863 Pseudoflavonifractor capillosus ATCC 29799 Bordetella pertussis Tohama I Bordetella parapertussis 12822 Ralstonia eutropha H16 Xanthomonas campestris pv. campestris str. ATCC 33913 Xanthomonas campestris pv. campestris str. B100 Xanthomonas campestris pv. campestris str. 8004 Vibrio cholerae M66-2 Vibrio cholerae O1 biovar El Tor str. N16961 Shewanella frigidimarina NCIMB 400 Bacillus cytotoxicus NVH 391-98 Lachnoclostridium phytofermentans ISDg Alicyclobacillus acidocaldarius subsp. acidocaldarius DSM 446 Alkaliphilus metalliredigens QYMF Alkaliphilus oremlandii OhILAs Clostridium tetani E88 Desulfotomaculum reducens MI-1 Exiguobacterium sp. AT1b Frankia alni ACN14a Frankia sp. EuI1c Gordonia bronchialis DSM 43247 Mycobacterium ulcerans Agy99 Mycobacterium vanbaalenii PYR-1 Mycobacterium abscessus ATCC 19977 Nakamurella multipartita DSM 44233 Nocardia farcinica IFM 10152 Nocardioides sp. JS614 Bacillus tusciae DSM 2912 Rhodococcus opacus B4 Rhodococcus jostii RHA1 Rhodococcus equi 103S Tsukamurella paurometabola DSM 20162 Aspergillus phoenicis Aspergillus niger ATCC 1015 Aspergillus tubingensis Paraburkholderia graminis C4D1M Mycolicibacterium fortuitum subsp. fortuitum DSM 46621 = ATCC 6841 Rhodococcus hoagii ATCC 33707 Anaerobutyricum hallii DSM 3353 Klebsiella aerogenes KCTC 2190 Halanaerobium hydrogeniformans Acidovorax citrulli AAC00-1 Acidovorax sp. JS42 Acidovorax ebreus TPSY Aeromonas salmonicida subsp. salmonicida A449 Agrobacterium vitis S4 Agrobacterium radiobacter K84 Rhodoferax ferrireducens T118 Alcanivorax borkumensis SK2 Alicycliphilus denitrificans K601 Vibrio fischeri MJ11 Aliivibrio salmonicida LFI1238 Alkalilimnicola ehrlichii MLHE-1 Arcobacter nitrofigilis DSM 7299 Azorhizobium caulinodans ORS 571 Azotobacter vinelandii DJ
1-Acyl-sn-glycero-3-phosphoethanolamine (N-C14:0) metabolism		Escherichia coli Pseudomonas aeruginosa Escherichia coli SMS-3-5 Escherichia coli UTI89 Escherichia coli 55989 Escherichia coli SE11 Mycobacterium marinum M Pseudomonas aeruginosa PA7 Actinobacillus succinogenes 130Z Escherichia coli CFT073 Myxococcus xanthus DK 1622 Pseudomonas stutzeri Klebsiella pneumoniae Pseudomonas fluorescens Pf-5 Clostridium saccharoperbutylacetonicum N1-4(HMT) Salmonella enterica Clostridium acetobutylicum ATCC 824 Helicobacter pylori Haemophilus influenzae Haemophilus influenzae Rd KW20 Clostridium perfringens Rhodospirillum rubrum ATCC 11170 Streptomyces avermitilis MA-4680 Shewanella denitrificans OS217 Acinetobacter baumannii Arcobacter butzleri RM4018 Brevibacillus brevis NBRC 100599 Campylobacter fetus subsp. fetus 82-40 Campylobacter hominis ATCC BAA-381 Clostridium perfringens ATCC 13124 Clostridium saccharolyticum Clostridium sticklandii Fusobacterium nucleatum subsp. nucleatum ATCC 25586 Geobacter metallireducens Haemophilus parainfluenzae T3T1 Methylobacterium nodulans Roseburia hominis A2-183 Pelobacter carbinolicus Campylobacter curvus Campylobacter rectus Campylobacter showae Comamonas testosteroni Burkholderia cepacia Pseudomonas fluorescens Pseudomonas mendocina Pseudomonas putida Pseudomonas syringae Xanthomonas campestris Bradyrhizobium japonicum Moraxella catarrhalis Chromobacterium violaceum Citrobacter koseri Proteus mirabilis Shigella boydii Shigella dysenteriae Shigella flexneri Shigella sonnei Aeromonas hydrophila Vibrio vulnificus Campylobacter gracilis Fusobacterium periodonticum Desulfovibrio piger Cytophaga hutchinsonii Streptococcus sanguinis Priestia megaterium Clostridium kluyveri Desulfobacterium autotrophicum Campylobacter upsaliensis Pelobacter propionicus Helicobacter pullorum Helicobacter bilis Sulfurimonas denitrificans Stenotrophomonas maltophilia Leptotrichia buccalis Desulfotomaculum reducens Burkholderia vietnamiensis Sodalis glossinidius Enterobacter cancerogenus Achromobacter xylosoxidans Burkholderia multivorans Burkholderia cenocepacia Methylibium petroleiphilum Citrobacter youngae Burkholderia ambifaria Marvinbryantia formatexigens Alicycliphilus denitrificans Shewanella denitrificans Methylocella silvestris Escherichia albertii Geobacter bemidjiensis Geobacter lovleyi Campylobacter coli Campylobacter hominis Campylobacter jejuni Fusobacterium nucleatum Haemophilus parainfluenzae Klebsiella variicola Achromobacter xylosoxidans A8 Acinetobacter baumannii SDF Acinetobacter baumannii ACICU Acinetobacter baumannii AB0057 Acinetobacter baumannii AB307-0294 Actinobacillus pleuropneumoniae serovar 5b str. L20 Actinobacillus pleuropneumoniae serovar 3 str. JL03 Actinobacillus pleuropneumoniae serovar 7 str. AP76 Aeromonas hydrophila subsp. hydrophila ATCC 7966 Bacillus cereus ATCC 10987 Bacillus megaterium QM B1551 Priestia megaterium DSM 319 Bradyrhizobium japonicum USDA 110 Campylobacter jejuni subsp. jejuni 81-176 Campylobacter curvus 525.92 Citrobacter koseri ATCC BAA-895 Clostridium perfringens str. 13 Clostridium sticklandii DSM 519 Cronobacter sakazakii ATCC BAA-894 Delftia acidovorans SPH-1 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 Helicobacter pylori J99 Helicobacter pylori P12 Klebsiella pneumoniae subsp. pneumoniae MGH 78578 Leptotrichia buccalis C-1013-b Lysinibacillus sphaericus C3-41 Methylobacterium radiotolerans JCM 2831 Methylobacterium populi BJ001 Escherichia coli 042 Acinetobacter calcoaceticus PHEA-2 Edwardsiella tarda FL6-60 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 Rhodococcus erythropolis PR4 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 Stenotrophomonas maltophilia K279a Stenotrophomonas maltophilia R551-3 Streptococcus sanguinis SK36 Vibrio parahaemolyticus RIMD 2210633 Wolinella succinogenes DSM 1740 Yersinia enterocolitica subsp. enterocolitica 8081 Yersinia pseudotuberculosis IP 31758 Spirosoma linguale Cetobacterium somerae ATCC BAA-474 Fusobacterium nucleatum subsp. animalis 4_8 Fusobacterium nucleatum subsp. animalis 7_1 Fusobacterium nucleatum subsp. animalis D11 Fusobacterium nucleatum subsp. vincentii 4_1_13 Beijerinckia indica Bradyrhizobium elkanii Methylobacterium mesophilicum Methylobacterium mesophilicum SR1.6/6 Azorhizobium caulinodans Xanthobacter autotrophicus Alcaligenes faecalis Burkholderia cepacia GG4 Lautropia mirabilis Lautropia mirabilis ATCC 51599 Kingella oralis Kingella oralis ATCC 51147 Neisseria elongata Neisseria elongata subsp. glycolytica ATCC 29315 Methyloversatilis universalis Methyloversatilis universalis FAM5 Bilophila wadsworthia 3_1_6 Desulfovibrio piger ATCC 29098 Arcobacter butzleri Campylobacter gracilis RM3268 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 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 Acinetobacter pittii Acinetobacter haemolyticus Acinetobacter johnsonii Acinetobacter johnsonii SH046 Acinetobacter junii SH205 Grimontia hollisae CIP 101886 Vibrio fluvialis Vibrio fluvialis PG41 Vibrio parahaemolyticus Vibrio mimicus Gordonia terrae C-6 Rhodococcus erythropolis Streptomyces avermitilis Lysinibacillus sphaericus Aneurinibacillus aneurinilyticus Aneurinibacillus aneurinilyticus ATCC 12856 Exiguobacterium aurantiacum Streptococcus australis ATCC 700641 Butyricicoccus pullicaecorum Butyricicoccus pullicaecorum 1.2 Clostridium celatum DSM 1785 Pseudoramibacter alactolyticus ATCC 23263 Clostridium asparagiforme DSM 15981 Clostridium citroniae WAL-17108 [Clostridium] hylemonae DSM 15053 [Clostridium] symbiosum WAL-14163 Flavonifractor plautii ATCC 29863 Pseudoflavonifractor capillosus ATCC 29799 Bordetella pertussis Tohama I Bordetella parapertussis 12822 Ralstonia eutropha H16 Xanthomonas campestris pv. campestris str. ATCC 33913 Xanthomonas campestris pv. campestris str. B100 Xanthomonas campestris pv. campestris str. 8004 Vibrio cholerae M66-2 Vibrio cholerae O1 biovar El Tor str. N16961 Shewanella frigidimarina NCIMB 400 Bacillus cytotoxicus NVH 391-98 Lachnoclostridium phytofermentans ISDg Alicyclobacillus acidocaldarius subsp. acidocaldarius DSM 446 Alkaliphilus metalliredigens QYMF Alkaliphilus oremlandii OhILAs Clostridium tetani E88 Desulfotomaculum reducens MI-1 Exiguobacterium sp. AT1b Frankia alni ACN14a Frankia sp. EuI1c Gordonia bronchialis DSM 43247 Mycobacterium ulcerans Agy99 Mycobacterium vanbaalenii PYR-1 Mycobacterium abscessus ATCC 19977 Nakamurella multipartita DSM 44233 Nocardia farcinica IFM 10152 Nocardioides sp. JS614 Bacillus tusciae DSM 2912 Rhodococcus opacus B4 Rhodococcus jostii RHA1 Rhodococcus equi 103S Tsukamurella paurometabola DSM 20162 Aspergillus phoenicis Aspergillus niger ATCC 1015 Aspergillus tubingensis Paraburkholderia graminis C4D1M Mycolicibacterium fortuitum subsp. fortuitum DSM 46621 = ATCC 6841 Rhodococcus hoagii ATCC 33707 Anaerobutyricum hallii DSM 3353 Klebsiella aerogenes KCTC 2190 Halanaerobium hydrogeniformans Acidovorax citrulli AAC00-1 Acidovorax sp. JS42 Acidovorax ebreus TPSY Aeromonas salmonicida subsp. salmonicida A449 Agrobacterium vitis S4 Agrobacterium radiobacter K84 Rhodoferax ferrireducens T118 Alcanivorax borkumensis SK2 Alicycliphilus denitrificans K601 Vibrio fischeri MJ11 Aliivibrio salmonicida LFI1238 Alkalilimnicola ehrlichii MLHE-1 Arcobacter nitrofigilis DSM 7299 Azorhizobium caulinodans ORS 571 Azotobacter vinelandii DJ
1-Acyl-sn-glycero-3-phosphoethanolamine (N-C16:0) metabolism		Escherichia coli Pseudomonas aeruginosa Escherichia coli SMS-3-5 Escherichia coli UTI89 Escherichia coli 55989 Escherichia coli SE11 Mycobacterium marinum M Pseudomonas aeruginosa PA7 Actinobacillus succinogenes 130Z Escherichia coli CFT073 Myxococcus xanthus DK 1622 Pseudomonas stutzeri Klebsiella pneumoniae Pseudomonas fluorescens Pf-5 Clostridium saccharoperbutylacetonicum N1-4(HMT) Salmonella enterica Clostridium acetobutylicum ATCC 824 Helicobacter pylori Haemophilus influenzae Haemophilus influenzae Rd KW20 Clostridium perfringens Rhodospirillum rubrum ATCC 11170 Streptomyces avermitilis MA-4680 Shewanella denitrificans OS217 Acinetobacter baumannii Arcobacter butzleri RM4018 Brevibacillus brevis NBRC 100599 Campylobacter fetus subsp. fetus 82-40 Campylobacter hominis ATCC BAA-381 Clostridium perfringens ATCC 13124 Clostridium saccharolyticum Clostridium sticklandii Fusobacterium nucleatum subsp. nucleatum ATCC 25586 Geobacter metallireducens Haemophilus parainfluenzae T3T1 Methylobacterium nodulans Roseburia hominis A2-183 Pelobacter carbinolicus Campylobacter curvus Campylobacter rectus Campylobacter showae Comamonas testosteroni Burkholderia cepacia Pseudomonas fluorescens Pseudomonas mendocina Pseudomonas putida Pseudomonas syringae Xanthomonas campestris Bradyrhizobium japonicum Moraxella catarrhalis Chromobacterium violaceum Citrobacter koseri Proteus mirabilis Shigella boydii Shigella dysenteriae Shigella flexneri Shigella sonnei Aeromonas hydrophila Vibrio vulnificus Campylobacter gracilis Fusobacterium periodonticum Desulfovibrio piger Cytophaga hutchinsonii Streptococcus sanguinis Priestia megaterium Clostridium kluyveri Desulfobacterium autotrophicum Campylobacter upsaliensis Pelobacter propionicus Helicobacter pullorum Helicobacter bilis Sulfurimonas denitrificans Stenotrophomonas maltophilia Leptotrichia buccalis Desulfotomaculum reducens Burkholderia vietnamiensis Sodalis glossinidius Enterobacter cancerogenus Achromobacter xylosoxidans Burkholderia multivorans Burkholderia cenocepacia Methylibium petroleiphilum Citrobacter youngae Burkholderia ambifaria Marvinbryantia formatexigens Alicycliphilus denitrificans Shewanella denitrificans Methylocella silvestris Escherichia albertii Geobacter bemidjiensis Geobacter lovleyi Campylobacter coli Campylobacter hominis Campylobacter jejuni Fusobacterium nucleatum Haemophilus parainfluenzae Klebsiella variicola Achromobacter xylosoxidans A8 Acinetobacter baumannii SDF Acinetobacter baumannii ACICU Acinetobacter baumannii AB0057 Acinetobacter baumannii AB307-0294 Actinobacillus pleuropneumoniae serovar 5b str. L20 Actinobacillus pleuropneumoniae serovar 3 str. JL03 Actinobacillus pleuropneumoniae serovar 7 str. AP76 Aeromonas hydrophila subsp. hydrophila ATCC 7966 Bacillus cereus ATCC 10987 Bacillus megaterium QM B1551 Priestia megaterium DSM 319 Bradyrhizobium japonicum USDA 110 Campylobacter jejuni subsp. jejuni 81-176 Campylobacter curvus 525.92 Citrobacter koseri ATCC BAA-895 Clostridium perfringens str. 13 Clostridium sticklandii DSM 519 Cronobacter sakazakii ATCC BAA-894 Delftia acidovorans SPH-1 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 Helicobacter pylori J99 Helicobacter pylori P12 Klebsiella pneumoniae subsp. pneumoniae MGH 78578 Leptotrichia buccalis C-1013-b Lysinibacillus sphaericus C3-41 Methylobacterium radiotolerans JCM 2831 Methylobacterium populi BJ001 Escherichia coli 042 Acinetobacter calcoaceticus PHEA-2 Edwardsiella tarda FL6-60 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 Rhodococcus erythropolis PR4 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 Stenotrophomonas maltophilia K279a Stenotrophomonas maltophilia R551-3 Streptococcus sanguinis SK36 Vibrio parahaemolyticus RIMD 2210633 Wolinella succinogenes DSM 1740 Yersinia enterocolitica subsp. enterocolitica 8081 Yersinia pseudotuberculosis IP 31758 Spirosoma linguale Cetobacterium somerae ATCC BAA-474 Fusobacterium nucleatum subsp. animalis 4_8 Fusobacterium nucleatum subsp. animalis 7_1 Fusobacterium nucleatum subsp. animalis D11 Fusobacterium nucleatum subsp. vincentii 4_1_13 Beijerinckia indica Bradyrhizobium elkanii Methylobacterium mesophilicum Methylobacterium mesophilicum SR1.6/6 Azorhizobium caulinodans Xanthobacter autotrophicus Alcaligenes faecalis Burkholderia cepacia GG4 Lautropia mirabilis Lautropia mirabilis ATCC 51599 Kingella oralis Kingella oralis ATCC 51147 Neisseria elongata Neisseria elongata subsp. glycolytica ATCC 29315 Methyloversatilis universalis Methyloversatilis universalis FAM5 Bilophila wadsworthia 3_1_6 Desulfovibrio piger ATCC 29098 Arcobacter butzleri Campylobacter gracilis RM3268 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 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 Acinetobacter pittii Acinetobacter haemolyticus Acinetobacter johnsonii Acinetobacter johnsonii SH046 Acinetobacter junii SH205 Grimontia hollisae CIP 101886 Vibrio fluvialis Vibrio fluvialis PG41 Vibrio parahaemolyticus Vibrio mimicus Gordonia terrae C-6 Rhodococcus erythropolis Streptomyces avermitilis Lysinibacillus sphaericus Aneurinibacillus aneurinilyticus Aneurinibacillus aneurinilyticus ATCC 12856 Exiguobacterium aurantiacum Streptococcus australis ATCC 700641 Butyricicoccus pullicaecorum Butyricicoccus pullicaecorum 1.2 Clostridium celatum DSM 1785 Pseudoramibacter alactolyticus ATCC 23263 Clostridium asparagiforme DSM 15981 Clostridium citroniae WAL-17108 [Clostridium] hylemonae DSM 15053 [Clostridium] symbiosum WAL-14163 Flavonifractor plautii ATCC 29863 Pseudoflavonifractor capillosus ATCC 29799 Bordetella pertussis Tohama I Bordetella parapertussis 12822 Ralstonia eutropha H16 Xanthomonas campestris pv. campestris str. ATCC 33913 Xanthomonas campestris pv. campestris str. B100 Xanthomonas campestris pv. campestris str. 8004 Vibrio cholerae M66-2 Vibrio cholerae O1 biovar El Tor str. N16961 Shewanella frigidimarina NCIMB 400 Bacillus cytotoxicus NVH 391-98 Lachnoclostridium phytofermentans ISDg Alicyclobacillus acidocaldarius subsp. acidocaldarius DSM 446 Alkaliphilus metalliredigens QYMF Alkaliphilus oremlandii OhILAs Clostridium tetani E88 Desulfotomaculum reducens MI-1 Exiguobacterium sp. AT1b Frankia alni ACN14a Frankia sp. EuI1c Gordonia bronchialis DSM 43247 Mycobacterium ulcerans Agy99 Mycobacterium vanbaalenii PYR-1 Mycobacterium abscessus ATCC 19977 Nakamurella multipartita DSM 44233 Nocardia farcinica IFM 10152 Nocardioides sp. JS614 Bacillus tusciae DSM 2912 Rhodococcus opacus B4 Rhodococcus jostii RHA1 Rhodococcus equi 103S Tsukamurella paurometabola DSM 20162 Aspergillus phoenicis Aspergillus niger ATCC 1015 Aspergillus tubingensis Paraburkholderia graminis C4D1M Mycolicibacterium fortuitum subsp. fortuitum DSM 46621 = ATCC 6841 Rhodococcus hoagii ATCC 33707 Anaerobutyricum hallii DSM 3353 Klebsiella aerogenes KCTC 2190 Halanaerobium hydrogeniformans Acidovorax citrulli AAC00-1 Acidovorax sp. JS42 Acidovorax ebreus TPSY Aeromonas salmonicida subsp. salmonicida A449 Agrobacterium vitis S4 Agrobacterium radiobacter K84 Rhodoferax ferrireducens T118 Alcanivorax borkumensis SK2 Alicycliphilus denitrificans K601 Vibrio fischeri MJ11 Aliivibrio salmonicida LFI1238 Alkalilimnicola ehrlichii MLHE-1 Arcobacter nitrofigilis DSM 7299 Azorhizobium caulinodans ORS 571 Azotobacter vinelandii DJ
1-Acyl-sn-glycero-3-phosphoethanolamine (N-C18:0) metabolism		Escherichia coli Pseudomonas aeruginosa Escherichia coli SMS-3-5 Escherichia coli UTI89 Escherichia coli 55989 Escherichia coli SE11 Mycobacterium marinum M Pseudomonas aeruginosa PA7 Actinobacillus succinogenes 130Z Escherichia coli CFT073 Myxococcus xanthus DK 1622 Pseudomonas stutzeri Klebsiella pneumoniae Pseudomonas fluorescens Pf-5 Clostridium saccharoperbutylacetonicum N1-4(HMT) Salmonella enterica Clostridium acetobutylicum ATCC 824 Helicobacter pylori Haemophilus influenzae Haemophilus influenzae Rd KW20 Clostridium perfringens Rhodospirillum rubrum ATCC 11170 Streptomyces avermitilis MA-4680 Shewanella denitrificans OS217 Acinetobacter baumannii Arcobacter butzleri RM4018 Brevibacillus brevis NBRC 100599 Campylobacter fetus subsp. fetus 82-40 Campylobacter hominis ATCC BAA-381 Clostridium perfringens ATCC 13124 Clostridium saccharolyticum Clostridium sticklandii Fusobacterium nucleatum subsp. nucleatum ATCC 25586 Geobacter metallireducens Haemophilus parainfluenzae T3T1 Methylobacterium nodulans Roseburia hominis A2-183 Pelobacter carbinolicus Campylobacter curvus Campylobacter rectus Campylobacter showae Comamonas testosteroni Burkholderia cepacia Pseudomonas fluorescens Pseudomonas mendocina Pseudomonas putida Pseudomonas syringae Xanthomonas campestris Bradyrhizobium japonicum Moraxella catarrhalis Chromobacterium violaceum Citrobacter koseri Proteus mirabilis Shigella boydii Shigella dysenteriae Shigella flexneri Shigella sonnei Aeromonas hydrophila Vibrio vulnificus Campylobacter gracilis Fusobacterium periodonticum Desulfovibrio piger Cytophaga hutchinsonii Streptococcus sanguinis Priestia megaterium Clostridium kluyveri Desulfobacterium autotrophicum Campylobacter upsaliensis Pelobacter propionicus Helicobacter pullorum Helicobacter bilis Sulfurimonas denitrificans Stenotrophomonas maltophilia Leptotrichia buccalis Desulfotomaculum reducens Burkholderia vietnamiensis Sodalis glossinidius Enterobacter cancerogenus Achromobacter xylosoxidans Burkholderia multivorans Burkholderia cenocepacia Methylibium petroleiphilum Citrobacter youngae Burkholderia ambifaria Marvinbryantia formatexigens Alicycliphilus denitrificans Shewanella denitrificans Methylocella silvestris Escherichia albertii Geobacter bemidjiensis Geobacter lovleyi Campylobacter coli Campylobacter hominis Campylobacter jejuni Fusobacterium nucleatum Haemophilus parainfluenzae Klebsiella variicola Achromobacter xylosoxidans A8 Acinetobacter baumannii SDF Acinetobacter baumannii ACICU Acinetobacter baumannii AB0057 Acinetobacter baumannii AB307-0294 Actinobacillus pleuropneumoniae serovar 5b str. L20 Actinobacillus pleuropneumoniae serovar 3 str. JL03 Actinobacillus pleuropneumoniae serovar 7 str. AP76 Aeromonas hydrophila subsp. hydrophila ATCC 7966 Bacillus cereus ATCC 10987 Bacillus megaterium QM B1551 Priestia megaterium DSM 319 Bradyrhizobium japonicum USDA 110 Campylobacter jejuni subsp. jejuni 81-176 Campylobacter curvus 525.92 Citrobacter koseri ATCC BAA-895 Clostridium perfringens str. 13 Clostridium sticklandii DSM 519 Cronobacter sakazakii ATCC BAA-894 Delftia acidovorans SPH-1 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 Helicobacter pylori J99 Helicobacter pylori P12 Klebsiella pneumoniae subsp. pneumoniae MGH 78578 Leptotrichia buccalis C-1013-b Lysinibacillus sphaericus C3-41 Methylobacterium radiotolerans JCM 2831 Methylobacterium populi BJ001 Escherichia coli 042 Acinetobacter calcoaceticus PHEA-2 Edwardsiella tarda FL6-60 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 Rhodococcus erythropolis PR4 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 Stenotrophomonas maltophilia K279a Stenotrophomonas maltophilia R551-3 Streptococcus sanguinis SK36 Vibrio parahaemolyticus RIMD 2210633 Wolinella succinogenes DSM 1740 Yersinia enterocolitica subsp. enterocolitica 8081 Yersinia pseudotuberculosis IP 31758 Spirosoma linguale Cetobacterium somerae ATCC BAA-474 Fusobacterium nucleatum subsp. animalis 4_8 Fusobacterium nucleatum subsp. animalis 7_1 Fusobacterium nucleatum subsp. animalis D11 Fusobacterium nucleatum subsp. vincentii 4_1_13 Beijerinckia indica Bradyrhizobium elkanii Methylobacterium mesophilicum Methylobacterium mesophilicum SR1.6/6 Azorhizobium caulinodans Xanthobacter autotrophicus Alcaligenes faecalis Burkholderia cepacia GG4 Lautropia mirabilis Lautropia mirabilis ATCC 51599 Kingella oralis Kingella oralis ATCC 51147 Neisseria elongata Neisseria elongata subsp. glycolytica ATCC 29315 Methyloversatilis universalis Methyloversatilis universalis FAM5 Bilophila wadsworthia 3_1_6 Desulfovibrio piger ATCC 29098 Arcobacter butzleri Campylobacter gracilis RM3268 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 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 Acinetobacter pittii Acinetobacter haemolyticus Acinetobacter johnsonii Acinetobacter johnsonii SH046 Acinetobacter junii SH205 Grimontia hollisae CIP 101886 Vibrio fluvialis Vibrio fluvialis PG41 Vibrio parahaemolyticus Vibrio mimicus Gordonia terrae C-6 Rhodococcus erythropolis Streptomyces avermitilis Lysinibacillus sphaericus Aneurinibacillus aneurinilyticus Aneurinibacillus aneurinilyticus ATCC 12856 Exiguobacterium aurantiacum Streptococcus australis ATCC 700641 Butyricicoccus pullicaecorum Butyricicoccus pullicaecorum 1.2 Clostridium celatum DSM 1785 Pseudoramibacter alactolyticus ATCC 23263 Clostridium asparagiforme DSM 15981 Clostridium citroniae WAL-17108 [Clostridium] hylemonae DSM 15053 [Clostridium] symbiosum WAL-14163 Flavonifractor plautii ATCC 29863 Pseudoflavonifractor capillosus ATCC 29799 Bordetella pertussis Tohama I Bordetella parapertussis 12822 Ralstonia eutropha H16 Xanthomonas campestris pv. campestris str. ATCC 33913 Xanthomonas campestris pv. campestris str. B100 Xanthomonas campestris pv. campestris str. 8004 Vibrio cholerae M66-2 Vibrio cholerae O1 biovar El Tor str. N16961 Shewanella frigidimarina NCIMB 400 Bacillus cytotoxicus NVH 391-98 Lachnoclostridium phytofermentans ISDg Alicyclobacillus acidocaldarius subsp. acidocaldarius DSM 446 Alkaliphilus metalliredigens QYMF Alkaliphilus oremlandii OhILAs Clostridium tetani E88 Desulfotomaculum reducens MI-1 Exiguobacterium sp. AT1b Frankia alni ACN14a Frankia sp. EuI1c Gordonia bronchialis DSM 43247 Mycobacterium ulcerans Agy99 Mycobacterium vanbaalenii PYR-1 Mycobacterium abscessus ATCC 19977 Nakamurella multipartita DSM 44233 Nocardia farcinica IFM 10152 Nocardioides sp. JS614 Bacillus tusciae DSM 2912 Rhodococcus opacus B4 Rhodococcus jostii RHA1 Rhodococcus equi 103S Tsukamurella paurometabola DSM 20162 Aspergillus phoenicis Aspergillus niger ATCC 1015 Aspergillus tubingensis Paraburkholderia graminis C4D1M Mycolicibacterium fortuitum subsp. fortuitum DSM 46621 = ATCC 6841 Rhodococcus hoagii ATCC 33707 Anaerobutyricum hallii DSM 3353 Klebsiella aerogenes KCTC 2190 Halanaerobium hydrogeniformans Acidovorax citrulli AAC00-1 Acidovorax sp. JS42 Acidovorax ebreus TPSY Aeromonas salmonicida subsp. salmonicida A449 Agrobacterium vitis S4 Agrobacterium radiobacter K84 Rhodoferax ferrireducens T118 Alcanivorax borkumensis SK2 Alicycliphilus denitrificans K601 Vibrio fischeri MJ11 Aliivibrio salmonicida LFI1238 Alkalilimnicola ehrlichii MLHE-1 Arcobacter nitrofigilis DSM 7299 Azorhizobium caulinodans ORS 571 Azotobacter vinelandii DJ
1-Acyl-sn-glycero-3-phosphoglycerol (N-C12:0) metabolism		Escherichia coli Pseudomonas aeruginosa Escherichia coli SMS-3-5 Escherichia coli UTI89 Escherichia coli 55989 Escherichia coli SE11 Mycobacterium marinum M Pseudomonas aeruginosa PA7 Actinobacillus succinogenes 130Z Escherichia coli CFT073 Myxococcus xanthus DK 1622 Pseudomonas stutzeri Klebsiella pneumoniae Pseudomonas fluorescens Pf-5 Clostridium saccharoperbutylacetonicum N1-4(HMT) Salmonella enterica Clostridium acetobutylicum ATCC 824 Helicobacter pylori Haemophilus influenzae Haemophilus influenzae Rd KW20 Clostridium perfringens Rhodospirillum rubrum ATCC 11170 Streptomyces avermitilis MA-4680 Shewanella denitrificans OS217 Acinetobacter baumannii Arcobacter butzleri RM4018 Brevibacillus brevis NBRC 100599 Campylobacter fetus subsp. fetus 82-40 Campylobacter hominis ATCC BAA-381 Clostridium perfringens ATCC 13124 Clostridium saccharolyticum Clostridium sticklandii Fusobacterium nucleatum subsp. nucleatum ATCC 25586 Geobacter metallireducens Haemophilus parainfluenzae T3T1 Methylobacterium nodulans Roseburia hominis A2-183 Pelobacter carbinolicus Campylobacter curvus Campylobacter rectus Campylobacter showae Comamonas testosteroni Burkholderia cepacia Pseudomonas fluorescens Pseudomonas mendocina Pseudomonas putida Pseudomonas syringae Xanthomonas campestris Bradyrhizobium japonicum Moraxella catarrhalis Chromobacterium violaceum Citrobacter koseri Proteus mirabilis Shigella boydii Shigella dysenteriae Shigella flexneri Shigella sonnei Aeromonas hydrophila Vibrio vulnificus Campylobacter gracilis Fusobacterium periodonticum Desulfovibrio piger Cytophaga hutchinsonii Streptococcus sanguinis Priestia megaterium Clostridium kluyveri Desulfobacterium autotrophicum Campylobacter upsaliensis Pelobacter propionicus Helicobacter pullorum Helicobacter bilis Sulfurimonas denitrificans Stenotrophomonas maltophilia Leptotrichia buccalis Desulfotomaculum reducens Burkholderia vietnamiensis Sodalis glossinidius Enterobacter cancerogenus Achromobacter xylosoxidans Burkholderia multivorans Burkholderia cenocepacia Methylibium petroleiphilum Citrobacter youngae Burkholderia ambifaria Marvinbryantia formatexigens Alicycliphilus denitrificans Shewanella denitrificans Methylocella silvestris Escherichia albertii Geobacter bemidjiensis Geobacter lovleyi Campylobacter coli Campylobacter hominis Campylobacter jejuni Fusobacterium nucleatum Haemophilus parainfluenzae Klebsiella variicola Achromobacter xylosoxidans A8 Acinetobacter baumannii SDF Acinetobacter baumannii ACICU Acinetobacter baumannii AB0057 Acinetobacter baumannii AB307-0294 Actinobacillus pleuropneumoniae serovar 5b str. L20 Actinobacillus pleuropneumoniae serovar 3 str. JL03 Actinobacillus pleuropneumoniae serovar 7 str. AP76 Aeromonas hydrophila subsp. hydrophila ATCC 7966 Bacillus cereus ATCC 10987 Bacillus megaterium QM B1551 Priestia megaterium DSM 319 Bradyrhizobium japonicum USDA 110 Campylobacter jejuni subsp. jejuni 81-176 Campylobacter curvus 525.92 Citrobacter koseri ATCC BAA-895 Clostridium perfringens str. 13 Clostridium sticklandii DSM 519 Cronobacter sakazakii ATCC BAA-894 Delftia acidovorans SPH-1 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 Helicobacter pylori J99 Helicobacter pylori P12 Klebsiella pneumoniae subsp. pneumoniae MGH 78578 Leptotrichia buccalis C-1013-b Lysinibacillus sphaericus C3-41 Methylobacterium radiotolerans JCM 2831 Methylobacterium populi BJ001 Escherichia coli 042 Acinetobacter calcoaceticus PHEA-2 Edwardsiella tarda FL6-60 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 Rhodococcus erythropolis PR4 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 Stenotrophomonas maltophilia K279a Stenotrophomonas maltophilia R551-3 Streptococcus sanguinis SK36 Vibrio parahaemolyticus RIMD 2210633 Wolinella succinogenes DSM 1740 Yersinia enterocolitica subsp. enterocolitica 8081 Yersinia pseudotuberculosis IP 31758 Spirosoma linguale Cetobacterium somerae ATCC BAA-474 Fusobacterium nucleatum subsp. animalis 4_8 Fusobacterium nucleatum subsp. animalis 7_1 Fusobacterium nucleatum subsp. animalis D11 Fusobacterium nucleatum subsp. vincentii 4_1_13 Beijerinckia indica Bradyrhizobium elkanii Methylobacterium mesophilicum Methylobacterium mesophilicum SR1.6/6 Azorhizobium caulinodans Xanthobacter autotrophicus Alcaligenes faecalis Burkholderia cepacia GG4 Lautropia mirabilis Lautropia mirabilis ATCC 51599 Kingella oralis Kingella oralis ATCC 51147 Neisseria elongata Neisseria elongata subsp. glycolytica ATCC 29315 Methyloversatilis universalis Methyloversatilis universalis FAM5 Bilophila wadsworthia 3_1_6 Desulfovibrio piger ATCC 29098 Arcobacter butzleri Campylobacter gracilis RM3268 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 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 Acinetobacter pittii Acinetobacter haemolyticus Acinetobacter johnsonii Acinetobacter johnsonii SH046 Acinetobacter junii SH205 Grimontia hollisae CIP 101886 Vibrio fluvialis Vibrio fluvialis PG41 Vibrio parahaemolyticus Vibrio mimicus Gordonia terrae C-6 Rhodococcus erythropolis Streptomyces avermitilis Lysinibacillus sphaericus Aneurinibacillus aneurinilyticus Aneurinibacillus aneurinilyticus ATCC 12856 Exiguobacterium aurantiacum Streptococcus australis ATCC 700641 Butyricicoccus pullicaecorum Butyricicoccus pullicaecorum 1.2 Clostridium celatum DSM 1785 Pseudoramibacter alactolyticus ATCC 23263 Clostridium asparagiforme DSM 15981 Clostridium citroniae WAL-17108 [Clostridium] hylemonae DSM 15053 [Clostridium] symbiosum WAL-14163 Flavonifractor plautii ATCC 29863 Pseudoflavonifractor capillosus ATCC 29799 Bordetella pertussis Tohama I Bordetella parapertussis 12822 Ralstonia eutropha H16 Xanthomonas campestris pv. campestris str. ATCC 33913 Xanthomonas campestris pv. campestris str. B100 Xanthomonas campestris pv. campestris str. 8004 Vibrio cholerae M66-2 Vibrio cholerae O1 biovar El Tor str. N16961 Shewanella frigidimarina NCIMB 400 Bacillus cytotoxicus NVH 391-98 Lachnoclostridium phytofermentans ISDg Alicyclobacillus acidocaldarius subsp. acidocaldarius DSM 446 Alkaliphilus metalliredigens QYMF Alkaliphilus oremlandii OhILAs Clostridium tetani E88 Desulfotomaculum reducens MI-1 Exiguobacterium sp. AT1b Frankia alni ACN14a Frankia sp. EuI1c Gordonia bronchialis DSM 43247 Mycobacterium ulcerans Agy99 Mycobacterium vanbaalenii PYR-1 Mycobacterium abscessus ATCC 19977 Nakamurella multipartita DSM 44233 Nocardia farcinica IFM 10152 Nocardioides sp. JS614 Bacillus tusciae DSM 2912 Rhodococcus opacus B4 Rhodococcus jostii RHA1 Rhodococcus equi 103S Tsukamurella paurometabola DSM 20162 Aspergillus phoenicis Aspergillus niger ATCC 1015 Aspergillus tubingensis Paraburkholderia graminis C4D1M Mycolicibacterium fortuitum subsp. fortuitum DSM 46621 = ATCC 6841 Rhodococcus hoagii ATCC 33707 Anaerobutyricum hallii DSM 3353 Klebsiella aerogenes KCTC 2190 Halanaerobium hydrogeniformans Acidovorax citrulli AAC00-1 Acidovorax sp. JS42 Acidovorax ebreus TPSY Aeromonas salmonicida subsp. salmonicida A449 Agrobacterium vitis S4 Agrobacterium radiobacter K84 Rhodoferax ferrireducens T118 Alcanivorax borkumensis SK2 Alicycliphilus denitrificans K601 Vibrio fischeri MJ11 Aliivibrio salmonicida LFI1238 Alkalilimnicola ehrlichii MLHE-1 Arcobacter nitrofigilis DSM 7299 Azorhizobium caulinodans ORS 571 Azotobacter vinelandii DJ

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
MMDBr0018082	Pyruvic acid	Carbon dioxide	Unknown Protein		PathBank	31602464
MMDBr0018184	Hydrogen Ion	Carbon dioxide	3-oxoacyl-[acyl-carrier-protein] synthase 3	Synthesis	PathBank	31602464
MMDBr0018289	Coenzyme A	Acetyl-CoA	3-ketoacyl-CoA thiolase FadA	Carbon‚Äìcarbon-bond formation	PathBank	31602464
MMDBr0018420	Pyruvic acid	Carbon dioxide	Pyruvate dehydrogenase complex protein X component, mitochondrial	Dehydrogenation	PathBank	31602464
MMDBr0018484	Hydrogen Ion	Carbon dioxide	3-oxoacyl-[acyl-carrier-protein] synthase 3	Synthesis	PathBank	31602464
MMDBr0018485	Acetyl-CoA	Coenzyme A	3-oxoacyl-[acyl-carrier-protein] synthase 3	Synthesis	PathBank	31602464
MMDBr0018848	Acetaldehyde	Hydrogen Ion	Acetaldehyde dehydrogenase	Dehydrogenation	PathBank	31602464
MMDBr0018876	Acetaldehyde	Hydrogen Ion	Unknown Protein		PathBank	31602464
MMDBr0019296	Malonyl-CoA	Water	Acetyl-coenzyme A carboxylase carboxyl transferase subunit alpha	Carboxylation	PathBank	31602464
MMDBr0019329	Coenzyme A	Acetyl-CoA	Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex	Dehydrogenation	PathBank	31602464
MMDBr0019339	Acetyl-CoA	Acetylphosphate	Phosphate acetyltransferase	N-Acetylation	PathBank	31602464
MMDBr0019343	Acetic acid	Adenosine monophosphate	Acetyl-coenzyme A synthetase	Synthesis	PathBank	31602464
MMDBr0019345	Acetoacetyl-CoA	Acetyl-CoA	Acetyl-CoA acetyltransferase	N-Acetylation	PathBank	31602464
MMDBr0019510	Acetaldehyde	Hydrogen Ion	Magnesium-activated aldehyde dehydrogenase, cytosolic	Dehydrogenation	PathBank	31602464
MMDBr0019511	Acetaldehyde	Hydrogen Ion	Potassium-activated aldehyde dehydrogenase, mitochondrial	Dehydrogenation	PathBank	31602464
MMDBr0019665	Coenzyme A	Acetyl-CoA	Pyruvate dehydrogenase complex protein X component, mitochondrial	Dehydrogenation	PathBank	31602464
MMDBr0019666	Water	Acetic acid	Acetyl-CoA hydrolase	Hydrolysis of bond	PathBank	31602464
MMDBr0019667	Adenosine monophosphate	Acetyl adenylate	Acetyl-coenzyme A synthetase 2	Synthesis	PathBank	31602464
MMDBr0019670	Acetyl-CoA	Acetoacetyl-CoA	Acetyl-CoA acetyltransferase	N-Acetylation	PathBank	31602464
MMDBr0019671	Water	(2R)-Homocitric acid	Homocitrate synthase, mitochondrial	Synthesis	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	46	Human feces; Human sputum; Human ; Human unknown; Pig ; Human pleural fluid plaque; Human dental plaque; Human nasal swab; Human feces; pleural fluid plaque; bal; Human subgingival plaque; Sheep ; Chicken ; Cattle ; Rat ; Turkey ; Lion ; River trout ; Human supragingival plaque	Unknown; Metabolic reconstruction
Bacteria/Eubacteria	Firmicutes	523	Human feces; Human pleural fluid plaque; Pig ; Human sputum; Human ; Human subgingival plaque; Human saliva; Human urine; Human mucosa; Human supragingival plaque; Cattle ; Catfish ; Goat feces; Sheep feces	Metabolic reconstruction
Bacteria/Eubacteria	Proteobacteria	588	Human feces; Human sputum; Human ; Human unknown; Pig ; Human pleural fluid plaque; Human dental plaque; Human nasal swab; Human feces; pleural fluid plaque; bal; Human subgingival plaque; Sheep ; Chicken ; Cattle ; Rat ; Turkey ; Lion ; River trout ; Human supragingival plaque	Unknown; Metabolic reconstruction
Bacteria/Eubacteria	Actinobacteria	207	Human feces; Human sputum; Human bronchial brush; Human nasopharyngeal swab; Human pleural fluid plaque; Human dental plaque; Human ; Human mucosa; Human supragingival plaque; Human subgingival plaque; Human saliva; Cattle	Metabolic reconstruction
Bacteria/Eubacteria	Verrucomicrobia	2	Human ; Human feces	Metabolic reconstruction
Bacteria/Eubacteria	Bacteroidetes	131	Human feces; Human appendix biopsy; Human ; Human saliva; Human gastric fluid; Human urine; Human supragingival plaque; Human subgingival plaque	Metabolic reconstruction
Bacteria/Eubacteria	Synergistetes	3	Human feces	Metabolic reconstruction
Bacteria	Firmicutes	11	Human feces; Human pleural fluid plaque; Pig ; Human sputum; Human ; Human subgingival plaque; Human saliva; Human urine; Human mucosa; Human supragingival plaque; Cattle ; Catfish ; Goat feces; Sheep feces	Metabolic reconstruction
Bacteria/Eubacteria	Spirochaetes	10	Human feces; Human	Metabolic reconstruction
Archaea	Thaumarchaeota	1		Metabolic reconstruction
Bacteria/Eubacteria	Fusobacteria	21	Human feces; Human	Metabolic reconstruction
Archaea	Euryarchaeota	5		Metabolic reconstruction
Bacteria/Eubacteria	Candidatus melainabacteria	1	Human feces	Metabolic reconstruction
Bacteria/Eubacteria	Tenericutes	8	Human feces; Goat ; Human	Metabolic reconstruction
Bacteria/Eubacteria	Planctomycetes	2	Human feces	Metabolic reconstruction
Archaea	Crenarchaeota	1		Metabolic reconstruction
Bacteria	Synergistetes	1	Human feces	Metabolic reconstruction
Eukaryota/Fungi	Ascomycota	121	Human feces; Human saliva; Human supragingival plaque	Unknown
Eukaryota/Fungi	Basidiomycota	10	Human feces
Archaea/Archaea	Euryarchaeota	30		Metabolic reconstruction
Viruses/Bamfordvirae	Nucleocytoviricota	1
Bacteria	Actinobacteria	14	Human feces; Human sputum; Human bronchial brush; Human nasopharyngeal swab; Human pleural fluid plaque; Human dental plaque; Human ; Human mucosa; Human supragingival plaque; Human subgingival plaque; Human saliva; Cattle	Metabolic reconstruction
Archaea/Archaea	Crenarchaeota	12		Metabolic reconstruction
Bacteria/Eubacteria	Deinococcus-thermus	5
Bacteria/Eubacteria	Cyanobacteria	36	Human
Bacteria/Eubacteria	Thermotogae	10
Archaea/Archaea	Candidatus thermoplasmatota	1
Archaea/Archaea	nah	6
Bacteria/Eubacteria	Chloroflexi	9
Bacteria/Eubacteria	Chlorobi	5
Bacteria/Eubacteria	Deferribacteres	1
Bacteria	Spirochaetes	2	Human feces; Human	Metabolic reconstruction
Bacteria/Eubacteria	Aquificae	3
Bacteria/Eubacteria	Acidobacteria	2
Bacteria	nah	6
Bacteria/Eubacteria	Nitrospirae	1
Bacteria/Eubacteria	Dictyoglomi	2
Bacteria/Eubacteria	Elusimicrobia	1
Bacteria/Eubacteria	Gemmatimonadetes	1
Eukaryota/Fungi	Mucoromycota	1
Bacteria/Eubacteria	Candidatus cloacimonetes	1

Exposure Sources

Other Exposures

Source Type	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Age	Sex	Health Condition	Data Source	Reference
Human Feces	Detected but not Quantified				HMDB
Human Adipose tissue	Detected but not Quantified	Not Specified	Not Specified	Normal	HMDB	34986597
Human Brain	Detected but not Quantified	Not Specified	Not Specified	Normal	HMDB	34986597
Human Platelet	Detected but not Quantified	Not Specified	Not Specified	Normal	HMDB	34986597
Human Prostate	Detected but not Quantified	Not Specified	Not Specified	Normal	HMDB	34986597
Human Skeletal muscle	Detected but not Quantified	Not Specified	Not Specified	Normal	HMDB	34986597
Human Spleen	Detected but not Quantified	Not Specified	Not Specified	Normal	HMDB	34986597

External Links

HMDB ID

HMDB0001206

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Wikipedia Link

METLIN ID

PubChem Compound

PDB ID

Not Available

ChEBI ID

15351

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

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Spriet LL, MacLean DA, Dyck DJ, Hultman E, Cederblad G, Graham TE: Caffeine ingestion and muscle metabolism during prolonged exercise in humans. Am J Physiol. 1992 Jun;262(6 Pt 1):E891-8. doi: 10.1152/ajpendo.1992.262.6.E891. [PubMed:1616022 ]
Constantin-Teodosiu D, Carlin JI, Cederblad G, Harris RC, Hultman E: Acetyl group accumulation and pyruvate dehydrogenase activity in human muscle during incremental exercise. Acta Physiol Scand. 1991 Dec;143(4):367-72. doi: 10.1111/j.1748-1716.1991.tb09247.x. [PubMed:1815472 ]
Boden G, Jadali F, White J, Liang Y, Mozzoli M, Chen X, Coleman E, Smith C: Effects of fat on insulin-stimulated carbohydrate metabolism in normal men. J Clin Invest. 1991 Sep;88(3):960-6. doi: 10.1172/JCI115399. [PubMed:1885781 ]
Crystal HA, Davies P: Cortical substance P-like immunoreactivity in cases of Alzheimer's disease and senile dementia of the Alzheimer type. J Neurochem. 1982 Jun;38(6):1781-4. doi: 10.1111/j.1471-4159.1982.tb06665.x. [PubMed:6176686 ]
Ingebretsen OC, Bakken AM, Farstad M: The content of coenzyme A, acetyl-CoA and long-chain acyl-CoA in human blood platelets. Clin Chim Acta. 1982 Dec 23;126(3):307-13. doi: 10.1016/0009-8981(82)90305-9. [PubMed:7151284 ]
Putman CT, Spriet LL, Hultman E, Dyck DJ, Heigenhauser GJ: Skeletal muscle pyruvate dehydrogenase activity during acetate infusion in humans. Am J Physiol. 1995 May;268(5 Pt 1):E1007-17. doi: 10.1152/ajpendo.1995.268.5.E1007. [PubMed:7762627 ]
Blank ML, Smith ZL, Fitzgerald V, Snyder F: The CoA-independent transacylase in PAF biosynthesis: tissue distribution and molecular species selectivity. Biochim Biophys Acta. 1995 Feb 9;1254(3):295-301. doi: 10.1016/0005-2760(94)00189-6. [PubMed:7857969 ]
Szutowicz A, Tomaszewicz M, Jankowska A, Madziar B, Bielarczyk H: [Mechanisms of selective vulnerability of cholinergic neurons to neurotoxic stimuli]. Postepy Hig Med Dosw. 1999;53(2):263-75. [PubMed:10355292 ]
Evans MK, Savasi I, Heigenhauser GJ, Spriet LL: Effects of acetate infusion and hyperoxia on muscle substrate phosphorylation after onset of moderate exercise. Am J Physiol Endocrinol Metab. 2001 Dec;281(6):E1144-50. doi: 10.1152/ajpendo.2001.281.6.E1144. [PubMed:11701427 ]
Szutowicz A, Jankowska A, Tomaszewicz M: [Disturbances of glucose metabolism in epilepsy and other neurodegenerative diseases]. Neurol Neurochir Pol. 2000;34 Suppl 8:59-66. [PubMed:11780590 ]
Roe CR, Sweetman L, Roe DS, David F, Brunengraber H: Treatment of cardiomyopathy and rhabdomyolysis in long-chain fat oxidation disorders using an anaplerotic odd-chain triglyceride. J Clin Invest. 2002 Jul;110(2):259-69. doi: 10.1172/JCI15311. [PubMed:12122118 ]
Skibowska A, Raszeja-Specht A, Szutowicz A: Platelet function and acetyl-coenzyme A metabolism in type 1 diabetes mellitus. Clin Chem Lab Med. 2003 Sep;41(9):1136-43. doi: 10.1515/CCLM.2003.176. [PubMed:14598862 ]
Peters SJ: Regulation of PDH activity and isoform expression: diet and exercise. Biochem Soc Trans. 2003 Dec;31(Pt 6):1274-80. doi: 10.1042/bst0311274. [PubMed:14641042 ]
Michno A, Skibowska A, Raszeja-Specht A, Cwikowska J, Szutowicz A: The role of adenosine triphosphate citrate lyase in the metabolism of acetyl coenzyme a and function of blood platelets in diabetes mellitus. Metabolism. 2004 Jan;53(1):66-72. doi: 10.1016/j.metabol.2003.07.012. [PubMed:14681844 ]
Constantin-Teodosiu D, Peirce NS, Fox J, Greenhaff PL: Muscle pyruvate availability can limit the flux, but not activation, of the pyruvate dehydrogenase complex during submaximal exercise in humans. J Physiol. 2004 Dec 1;561(Pt 2):647-55. doi: 10.1113/jphysiol.2004.073411. Epub 2004 Oct 7. [PubMed:15579544 ]
Griffin MJ, Sul HS: Insulin regulation of fatty acid synthase gene transcription: roles of USF and SREBP-1c. IUBMB Life. 2004 Oct;56(10):595-600. doi: 10.1080/15216540400022474. [PubMed:15814457 ]
Michno A, Raszeja-Specht A, Jankowska-Kulawy A, Pawelczyk T, Szutowicz A: Effect of L-carnitine on acetyl-CoA content and activity of blood platelets in healthy and diabetic persons. Clin Chem. 2005 Sep;51(9):1673-82. doi: 10.1373/clinchem.2005.050328. Epub 2005 Jul 14. [PubMed:16020499 ]
Girard J: [Contribution of free fatty acids to impairment of insulin secretion and action. mechanism of beta-cell lipotoxicity]. Med Sci (Paris). 2005 Dec;21 Spec No:19-25. [PubMed:16598900 ]
Al-Buheissi SZ, Patel HR, Meinl W, Hewer A, Bryan RL, Glatt H, Miller RA, Phillips DH: N-Acetyltransferase and sulfotransferase activity in human prostate: potential for carcinogen activation. Pharmacogenet Genomics. 2006 Jun;16(6):391-9. doi: 10.1097/01.fpc.0000204998.22301.09. [PubMed:16708048 ]

Showing metabocard for Acetyl-CoA (MMDBc0029589)

MOL for #<Metabolite:0x00007f9ad8cffab0>

3D MOL for #<Metabolite:0x00007f9ad8cffab0>

3D SDF for #<Metabolite:0x00007f9ad8cffab0>

3D-SDF for #<Metabolite:0x00007f9ad8cffab0>

PDB for #<Metabolite:0x00007f9ad8cffab0>

3D PDB for #<Metabolite:0x00007f9ad8cffab0>

SMILES for #<Metabolite:0x00007f9ad8cffab0>

INCHI for #<Metabolite:0x00007f9ad8cffab0>

Structure for #<Metabolite:0x00007f9ad8cffab0>

3D Structure for #<Metabolite:0x00007f9ad8cffab0>