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Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References enzymes (21) Show 21 proteins XML

Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2008-09-16 08:41:15 UTC

Update Date

2021-09-14 15:45:27 UTC

HMDB ID

HMDB0010364

Secondary Accession Numbers

HMDB10364

Metabolite Identification

Common Name

11-Hydroxyprogesterone 11-glucuronide

Description

11-hydroxyprogesterone 11-glucuronide is a natural human metabolite of 11-hydroxyprogesterone generated in the liver by UDP glucuonyltransferase. Glucuronidation is used to assist in the excretion of toxic substances, drugs or other substances that cannot be used as an energy source. Glucuronic acid is attached via a glycosidic bond to the substance, and the resulting glucuronide, which has a much higher water solubility than the original substance, is eventually excreted by the kidneys.

Structure

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


  Mrv0541 02241200522D          

 36 40  0  0  1  0            999 V2000
   16.4682   -6.4948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0976   -5.2577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1826   -5.2573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1624   -9.4255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0393   -5.6698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0393   -4.0198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4682   -3.1948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8972   -3.1948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6116   -4.4323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6116   -6.9073    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.6116   -7.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8972   -8.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1826   -7.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8972   -6.4948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1826   -6.9073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4319   -8.1505    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   19.3922   -6.6559    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   19.3922   -7.9837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9104   -9.0040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8737   -7.3198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4253   -9.0098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6116   -6.0823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1696   -9.4395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6673   -7.6851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4382   -7.3255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6486   -5.8718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8853   -8.1206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6536   -9.4633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4682   -5.6698    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.8784   -9.0157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4558   -5.7016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7537   -5.2573    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.7537   -4.4323    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.1826   -4.4323    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.4682   -4.0198    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.8972   -4.0198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
 29  1  1  1  0  0  0
  2 26  2  0  0  0  0
  3 29  1  0  0  0  0
  3 34  1  0  0  0  0
  4 30  2  0  0  0  0
 32  5  1  6  0  0  0
 33  6  1  1  0  0  0
 35  7  1  6  0  0  0
  8 36  1  0  0  0  0
  9 36  2  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 10 17  1  0  0  0  0
 10 22  1  1  0  0  0
 11 12  1  0  0  0  0
 11 18  1  0  0  0  0
 12 13  1  0  0  0  0
 12 19  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 16 21  1  0  0  0  0
 16 24  1  0  0  0  0
 16 25  1  1  0  0  0
 17 20  1  0  0  0  0
 17 26  1  1  0  0  0
 18 20  1  0  0  0  0
 19 23  1  0  0  0  0
 21 23  1  0  0  0  0
 21 28  2  0  0  0  0
 24 27  1  0  0  0  0
 26 31  1  0  0  0  0
 27 30  1  0  0  0  0
 28 30  1  0  0  0  0
 29 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 35  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  1  0  0  0
M  END

HMDB0010364
     RDKit          3D
11-Hydroxyprogesterone 11-glucuronide
 74 78  0  0  0  0  0  0  0  0999 V2000
   -3.3054    4.1010   -3.2664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3710    4.0162   -2.1203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6347    4.8105   -1.1919 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2234    3.0953   -2.0398 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4617    3.5409   -0.7771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2995    2.9514    0.3655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0775    1.8704   -0.2658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2132    0.6009    0.5436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1257    0.8194    2.0081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0604    0.0275    2.7137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0608   -1.3982    2.3065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7512   -2.3895    3.1151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7630   -3.7775    2.6805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6160   -4.6708    3.5438 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9414   -4.1291    1.2737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7314   -2.9074    0.4524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4361   -1.6730    0.9252 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.9340   -2.0470    0.9379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3416   -0.5220   -0.0084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0701   -0.0139   -0.4961 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0291   -0.7843   -0.6297 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1930   -0.4225   -0.0224 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0457   -0.0090   -1.0460 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2577   -0.5485   -1.1201 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4103   -1.9269   -1.5446 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6071   -2.3813   -1.5828 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4339   -2.8141   -1.9135 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0054   -0.3512    0.1803 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0689    1.0137    0.4244 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2745   -1.1187    1.2138 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9597   -2.3378    1.4266 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8231   -1.3325    0.9471 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1818   -1.2222    2.2080 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3819    0.7819   -1.7822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6047    1.6471   -1.6695 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6984    1.2087   -2.6014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7483    5.1577   -3.2982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7998    3.9183   -4.2394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1762    3.4657   -3.0679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5984    3.0753   -2.9281 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5461    3.1465   -0.8311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4168    4.6415   -0.6955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5779    2.7217    1.1403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9572    3.7819    0.7609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1201    2.3082   -0.4230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2693    0.2380    0.3476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9739    1.8818    2.2816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0937    0.5829    2.5490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2459    0.0475    3.8072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0334    0.4158    2.5649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4843   -2.1002    4.1365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0855   -4.8322    1.0244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8316   -4.7300    1.0403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0137   -3.1438   -0.6016 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3556   -2.6929    0.4966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4275   -1.7476   -0.0139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4603   -1.6402    1.8040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0768   -3.1439    0.9894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8849   -0.9153   -0.9320 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2760    0.7976    0.1850 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9565    0.5450    0.5243 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8378    0.0714   -1.8731 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2857   -3.6186   -1.3021 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0139   -0.7947    0.0228 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5417    1.5464   -0.2193 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4352   -0.5671    2.1896 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9344   -2.0895    1.3856 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7231   -2.4197    0.7022 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2685   -0.2557    2.4895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5896    0.0328   -2.5494 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4717    1.4369   -1.9954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6987    1.7096   -3.5887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5586    0.1152   -2.9014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7107    1.3462   -2.1699 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  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  1
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 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
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 30 31  1  0
 30 32  1  0
 32 33  1  0
 20 34  1  0
 34 35  1  0
 35 36  1  6
 35  4  1  0
 35  7  1  0
 19  8  1  0
 32 22  1  0
 17 11  1  0
  1 37  1  0
  1 38  1  0
  1 39  1  0
  4 40  1  6
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  5 42  1  0
  6 43  1  0
  6 44  1  0
  7 45  1  0
  8 46  1  0
  9 47  1  0
  9 48  1  0
 10 49  1  0
 10 50  1  0
 12 51  1  0
 15 52  1  0
 15 53  1  0
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 18 56  1  0
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 18 58  1  0
 19 59  1  0
 20 60  1  0
 22 61  1  1
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 27 63  1  0
 28 64  1  6
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 30 66  1  1
 31 67  1  0
 32 68  1  6
 33 69  1  0
 34 70  1  0
 34 71  1  0
 36 72  1  0
 36 73  1  0
 36 74  1  0
M  END


  Mrv0541 02241200522D          

 36 40  0  0  1  0            999 V2000
   16.4682   -6.4948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0976   -5.2577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1826   -5.2573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1624   -9.4255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0393   -5.6698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0393   -4.0198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4682   -3.1948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8972   -3.1948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6116   -4.4323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6116   -6.9073    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.6116   -7.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8972   -8.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1826   -7.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8972   -6.4948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.4253   -9.0098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6116   -6.0823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1696   -9.4395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6673   -7.6851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4382   -7.3255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6486   -5.8718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8853   -8.1206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6536   -9.4633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4682   -5.6698    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.8784   -9.0157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4558   -5.7016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7537   -5.2573    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.7537   -4.4323    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.1826   -4.4323    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.4682   -4.0198    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.8972   -4.0198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
 29  1  1  1  0  0  0
  2 26  2  0  0  0  0
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 32  5  1  6  0  0  0
 33  6  1  1  0  0  0
 35  7  1  6  0  0  0
  8 36  1  0  0  0  0
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 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 16 21  1  0  0  0  0
 16 24  1  0  0  0  0
 16 25  1  1  0  0  0
 17 20  1  0  0  0  0
 17 26  1  1  0  0  0
 18 20  1  0  0  0  0
 19 23  1  0  0  0  0
 21 23  1  0  0  0  0
 21 28  2  0  0  0  0
 24 27  1  0  0  0  0
 26 31  1  0  0  0  0
 27 30  1  0  0  0  0
 28 30  1  0  0  0  0
 29 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 35  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  1  0  0  0
M  END
> <DATABASE_ID>
HMDB0010364

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(=O)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(C[C@]12C)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C27H38O9/c1-12(28)16-6-7-17-15-5-4-13-10-14(29)8-9-26(13,2)19(15)18(11-27(16,17)3)35-25-22(32)20(30)21(31)23(36-25)24(33)34/h10,15-23,25,30-32H,4-9,11H2,1-3H3,(H,33,34)/t15?,16-,17?,18?,19?,20+,21+,22-,23+,25-,26+,27-/m1/s1

> <INCHI_KEY>
WVTMNZAPPOMZST-UCMXSJKRSA-N

> <FORMULA>
C27H38O9

> <MOLECULAR_WEIGHT>
506.5852

> <EXACT_MASS>
506.251582814

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
52.55528650676624

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,3S,4S,5R,6R)-6-{[(2R,14S,15S)-14-acetyl-2,15-dimethyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-17-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

> <ALOGPS_LOGP>
1.63

> <JCHEM_LOGP>
1.389278496000001

> <ALOGPS_LOGS>
-3.12

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
12.227603458486843

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.5949182406725573

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6864993663319456

> <JCHEM_POLAR_SURFACE_AREA>
150.59

> <JCHEM_REFRACTIVITY>
126.57849999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.84e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S,3S,4S,5R,6R)-6-{[(2R,14S,15S)-14-acetyl-2,15-dimethyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-17-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0010364
     RDKit          3D
11-Hydroxyprogesterone 11-glucuronide
 74 78  0  0  0  0  0  0  0  0999 V2000
   -3.3054    4.1010   -3.2664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3710    4.0162   -2.1203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6347    4.8105   -1.1919 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2234    3.0953   -2.0398 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4617    3.5409   -0.7771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2995    2.9514    0.3655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0775    1.8704   -0.2658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2132    0.6009    0.5436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1257    0.8194    2.0081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0604    0.0275    2.7137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0608   -1.3982    2.3065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7512   -2.3895    3.1151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7630   -3.7775    2.6805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6160   -4.6708    3.5438 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9414   -4.1291    1.2737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7314   -2.9074    0.4524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4361   -1.6730    0.9252 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.9340   -2.0470    0.9379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3416   -0.5220   -0.0084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0701   -0.0139   -0.4961 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0291   -0.7843   -0.6297 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1930   -0.4225   -0.0224 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0457   -0.0090   -1.0460 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2577   -0.5485   -1.1201 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4103   -1.9269   -1.5446 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6071   -2.3813   -1.5828 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4339   -2.8141   -1.9135 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0054   -0.3512    0.1803 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0689    1.0137    0.4244 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2745   -1.1187    1.2138 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9597   -2.3378    1.4266 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8231   -1.3325    0.9471 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1818   -1.2222    2.2080 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3819    0.7819   -1.7822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6047    1.6471   -1.6695 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6984    1.2087   -2.6014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7483    5.1577   -3.2982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7998    3.9183   -4.2394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1762    3.4657   -3.0679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5984    3.0753   -2.9281 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5461    3.1465   -0.8311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4168    4.6415   -0.6955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5779    2.7217    1.1403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9572    3.7819    0.7609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1201    2.3082   -0.4230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2693    0.2380    0.3476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9739    1.8818    2.2816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0937    0.5829    2.5490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2459    0.0475    3.8072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0334    0.4158    2.5649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4843   -2.1002    4.1365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0855   -4.8322    1.0244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8316   -4.7300    1.0403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0137   -3.1438   -0.6016 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3556   -2.6929    0.4966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4275   -1.7476   -0.0139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4603   -1.6402    1.8040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0768   -3.1439    0.9894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8849   -0.9153   -0.9320 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2760    0.7976    0.1850 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9565    0.5450    0.5243 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8378    0.0714   -1.8731 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2857   -3.6186   -1.3021 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0139   -0.7947    0.0228 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5417    1.5464   -0.2193 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4352   -0.5671    2.1896 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9344   -2.0895    1.3856 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7231   -2.4197    0.7022 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2685   -0.2557    2.4895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5896    0.0328   -2.5494 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4717    1.4369   -1.9954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6987    1.7096   -3.5887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5586    0.1152   -2.9014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7107    1.3462   -2.1699 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  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  1
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 24 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 20 34  1  0
 34 35  1  0
 35 36  1  6
 35  4  1  0
 35  7  1  0
 19  8  1  0
 32 22  1  0
 17 11  1  0
  1 37  1  0
  1 38  1  0
  1 39  1  0
  4 40  1  6
  5 41  1  0
  5 42  1  0
  6 43  1  0
  6 44  1  0
  7 45  1  0
  8 46  1  0
  9 47  1  0
  9 48  1  0
 10 49  1  0
 10 50  1  0
 12 51  1  0
 15 52  1  0
 15 53  1  0
 16 54  1  0
 16 55  1  0
 18 56  1  0
 18 57  1  0
 18 58  1  0
 19 59  1  0
 20 60  1  0
 22 61  1  1
 24 62  1  6
 27 63  1  0
 28 64  1  6
 29 65  1  0
 30 66  1  1
 31 67  1  0
 32 68  1  6
 33 69  1  0
 34 70  1  0
 34 71  1  0
 36 72  1  0
 36 73  1  0
 36 74  1  0
M  END

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  O   UNK     0      30.741 -12.124   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0      35.649  -9.814   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0      32.074  -9.814   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      26.436 -17.594   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0      28.073 -10.584   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0      28.073  -7.504   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0      30.741  -5.964   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0      33.408  -5.964   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0      34.742  -8.274   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      34.742 -12.894   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      34.742 -14.434   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      33.408 -15.204   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      32.074 -14.434   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      33.408 -12.124   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      32.074 -12.894   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      30.673 -15.214   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      36.199 -12.424   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      36.199 -14.903   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      33.433 -16.807   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      37.098 -13.664   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      30.661 -16.818   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      34.742 -11.354   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      32.050 -17.620   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      29.246 -14.346   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      30.685 -13.674   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      36.677 -10.961   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      27.786 -15.158   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      29.220 -17.665   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      30.741 -10.584   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      27.773 -16.829   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      38.184 -10.643   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      29.407  -9.814   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      29.407  -8.274   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      32.074  -8.274   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      30.741  -7.504   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      33.408  -7.504   0.000  0.00  0.00           C+0
CONECT    1   15   29                                                       
CONECT    2   26                                                            
CONECT    3   29   34                                                       
CONECT    4   30                                                            
CONECT    5   32                                                            
CONECT    6   33                                                            
CONECT    7   35                                                            
CONECT    8   36                                                            
CONECT    9   36                                                            
CONECT   10   11   14   17   22                                             
CONECT   11   10   12   18                                                  
CONECT   12   11   13   19                                                  
CONECT   13   12   15   16                                                  
CONECT   14   10   15                                                       
CONECT   15    1   13   14                                                  
CONECT   16   13   21   24   25                                             
CONECT   17   10   20   26                                                  
CONECT   18   11   20                                                       
CONECT   19   12   23                                                       
CONECT   20   17   18                                                       
CONECT   21   16   23   28                                                  
CONECT   22   10                                                            
CONECT   23   19   21                                                       
CONECT   24   16   27                                                       
CONECT   25   16                                                            
CONECT   26    2   17   31                                                  
CONECT   27   24   30                                                       
CONECT   28   21   30                                                       
CONECT   29    1    3   32                                                  
CONECT   30    4   27   28                                                  
CONECT   31   26                                                            
CONECT   32    5   29   33                                                  
CONECT   33    6   32   35                                                  
CONECT   34    3   35   36                                                  
CONECT   35    7   33   34                                                  
CONECT   36    8    9   34                                                  
MASTER        0    0    0    0    0    0    0    0   36    0   80    0
END

COMPND    HMDB0010364
HETATM    1  C1  UNL     1      -3.305   4.101  -3.266  1.00  0.00           C  
HETATM    2  C2  UNL     1      -2.371   4.016  -2.120  1.00  0.00           C  
HETATM    3  O1  UNL     1      -2.635   4.811  -1.192  1.00  0.00           O  
HETATM    4  C3  UNL     1      -1.223   3.095  -2.040  1.00  0.00           C  
HETATM    5  C4  UNL     1      -0.462   3.541  -0.777  1.00  0.00           C  
HETATM    6  C5  UNL     1      -1.300   2.951   0.365  1.00  0.00           C  
HETATM    7  C6  UNL     1      -2.077   1.870  -0.266  1.00  0.00           C  
HETATM    8  C7  UNL     1      -2.213   0.601   0.544  1.00  0.00           C  
HETATM    9  C8  UNL     1      -2.126   0.819   2.008  1.00  0.00           C  
HETATM   10  C9  UNL     1      -1.060   0.028   2.714  1.00  0.00           C  
HETATM   11  C10 UNL     1      -1.061  -1.398   2.306  1.00  0.00           C  
HETATM   12  C11 UNL     1      -0.751  -2.390   3.115  1.00  0.00           C  
HETATM   13  C12 UNL     1      -0.763  -3.777   2.680  1.00  0.00           C  
HETATM   14  O2  UNL     1      -0.616  -4.671   3.544  1.00  0.00           O  
HETATM   15  C13 UNL     1      -0.941  -4.129   1.274  1.00  0.00           C  
HETATM   16  C14 UNL     1      -0.731  -2.907   0.452  1.00  0.00           C  
HETATM   17  C15 UNL     1      -1.436  -1.673   0.925  1.00  0.00           C  
HETATM   18  C16 UNL     1      -2.934  -2.047   0.938  1.00  0.00           C  
HETATM   19  C17 UNL     1      -1.342  -0.522  -0.008  1.00  0.00           C  
HETATM   20  C18 UNL     1      -0.070  -0.014  -0.496  1.00  0.00           C  
HETATM   21  O3  UNL     1       1.029  -0.784  -0.630  1.00  0.00           O  
HETATM   22  C19 UNL     1       2.193  -0.422  -0.022  1.00  0.00           C  
HETATM   23  O4  UNL     1       3.046  -0.009  -1.046  1.00  0.00           O  
HETATM   24  C20 UNL     1       4.258  -0.548  -1.120  1.00  0.00           C  
HETATM   25  C21 UNL     1       4.410  -1.927  -1.545  1.00  0.00           C  
HETATM   26  O5  UNL     1       5.607  -2.381  -1.583  1.00  0.00           O  
HETATM   27  O6  UNL     1       3.434  -2.814  -1.913  1.00  0.00           O  
HETATM   28  C22 UNL     1       5.005  -0.351   0.180  1.00  0.00           C  
HETATM   29  O7  UNL     1       5.069   1.014   0.424  1.00  0.00           O  
HETATM   30  C23 UNL     1       4.275  -1.119   1.214  1.00  0.00           C  
HETATM   31  O8  UNL     1       4.960  -2.338   1.427  1.00  0.00           O  
HETATM   32  C24 UNL     1       2.823  -1.333   0.947  1.00  0.00           C  
HETATM   33  O9  UNL     1       2.182  -1.222   2.208  1.00  0.00           O  
HETATM   34  C25 UNL     1      -0.382   0.782  -1.782  1.00  0.00           C  
HETATM   35  C26 UNL     1      -1.605   1.647  -1.669  1.00  0.00           C  
HETATM   36  C27 UNL     1      -2.698   1.209  -2.601  1.00  0.00           C  
HETATM   37  H1  UNL     1      -3.748   5.158  -3.298  1.00  0.00           H  
HETATM   38  H2  UNL     1      -2.800   3.918  -4.239  1.00  0.00           H  
HETATM   39  H3  UNL     1      -4.176   3.466  -3.068  1.00  0.00           H  
HETATM   40  H4  UNL     1      -0.598   3.075  -2.928  1.00  0.00           H  
HETATM   41  H5  UNL     1       0.546   3.146  -0.831  1.00  0.00           H  
HETATM   42  H6  UNL     1      -0.417   4.641  -0.695  1.00  0.00           H  
HETATM   43  H7  UNL     1      -0.578   2.722   1.140  1.00  0.00           H  
HETATM   44  H8  UNL     1      -1.957   3.782   0.761  1.00  0.00           H  
HETATM   45  H9  UNL     1      -3.120   2.308  -0.423  1.00  0.00           H  
HETATM   46  H10 UNL     1      -3.269   0.238   0.348  1.00  0.00           H  
HETATM   47  H11 UNL     1      -1.974   1.882   2.282  1.00  0.00           H  
HETATM   48  H12 UNL     1      -3.094   0.583   2.549  1.00  0.00           H  
HETATM   49  H13 UNL     1      -1.246   0.047   3.807  1.00  0.00           H  
HETATM   50  H14 UNL     1      -0.033   0.416   2.565  1.00  0.00           H  
HETATM   51  H15 UNL     1      -0.484  -2.100   4.136  1.00  0.00           H  
HETATM   52  H16 UNL     1      -0.086  -4.832   1.024  1.00  0.00           H  
HETATM   53  H17 UNL     1      -1.832  -4.730   1.040  1.00  0.00           H  
HETATM   54  H18 UNL     1      -1.014  -3.144  -0.602  1.00  0.00           H  
HETATM   55  H19 UNL     1       0.356  -2.693   0.497  1.00  0.00           H  
HETATM   56  H20 UNL     1      -3.427  -1.748  -0.014  1.00  0.00           H  
HETATM   57  H21 UNL     1      -3.460  -1.640   1.804  1.00  0.00           H  
HETATM   58  H22 UNL     1      -3.077  -3.144   0.989  1.00  0.00           H  
HETATM   59  H23 UNL     1      -1.885  -0.915  -0.932  1.00  0.00           H  
HETATM   60  H24 UNL     1       0.276   0.798   0.185  1.00  0.00           H  
HETATM   61  H25 UNL     1       1.957   0.545   0.524  1.00  0.00           H  
HETATM   62  H26 UNL     1       4.838   0.071  -1.873  1.00  0.00           H  
HETATM   63  H27 UNL     1       3.286  -3.619  -1.302  1.00  0.00           H  
HETATM   64  H28 UNL     1       6.014  -0.795   0.023  1.00  0.00           H  
HETATM   65  H29 UNL     1       4.542   1.546  -0.219  1.00  0.00           H  
HETATM   66  H30 UNL     1       4.435  -0.567   2.190  1.00  0.00           H  
HETATM   67  H31 UNL     1       5.934  -2.090   1.386  1.00  0.00           H  
HETATM   68  H32 UNL     1       2.723  -2.420   0.702  1.00  0.00           H  
HETATM   69  H33 UNL     1       2.268  -0.256   2.489  1.00  0.00           H  
HETATM   70  H34 UNL     1      -0.590   0.033  -2.549  1.00  0.00           H  
HETATM   71  H35 UNL     1       0.472   1.437  -1.995  1.00  0.00           H  
HETATM   72  H36 UNL     1      -2.699   1.710  -3.589  1.00  0.00           H  
HETATM   73  H37 UNL     1      -2.559   0.115  -2.901  1.00  0.00           H  
HETATM   74  H38 UNL     1      -3.711   1.346  -2.170  1.00  0.00           H  
CONECT    1    2   37   38   39
CONECT    2    3    3    4
CONECT    4    5   35   40
CONECT    5    6   41   42
CONECT    6    7   43   44
CONECT    7    8   35   45
CONECT    8    9   19   46
CONECT    9   10   47   48
CONECT   10   11   49   50
CONECT   11   12   12   17
CONECT   12   13   51
CONECT   13   14   14   15
CONECT   15   16   52   53
CONECT   16   17   54   55
CONECT   17   18   19
CONECT   18   56   57   58
CONECT   19   20   59
CONECT   20   21   34   60
CONECT   21   22
CONECT   22   23   32   61
CONECT   23   24
CONECT   24   25   28   62
CONECT   25   26   26   27
CONECT   27   63
CONECT   28   29   30   64
CONECT   29   65
CONECT   30   31   32   66
CONECT   31   67
CONECT   32   33   68
CONECT   33   69
CONECT   34   35   70   71
CONECT   35   36
CONECT   36   72   73   74
END

HMDB0010364
     RDKit          3D
11-Hydroxyprogesterone 11-glucuronide
 74 78  0  0  0  0  0  0  0  0999 V2000
   -3.3054    4.1010   -3.2664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3710    4.0162   -2.1203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6347    4.8105   -1.1919 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2234    3.0953   -2.0398 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4617    3.5409   -0.7771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2995    2.9514    0.3655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0775    1.8704   -0.2658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2132    0.6009    0.5436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1257    0.8194    2.0081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0604    0.0275    2.7137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0608   -1.3982    2.3065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7512   -2.3895    3.1151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7630   -3.7775    2.6805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6160   -4.6708    3.5438 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9414   -4.1291    1.2737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7314   -2.9074    0.4524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4361   -1.6730    0.9252 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.9340   -2.0470    0.9379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3416   -0.5220   -0.0084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0701   -0.0139   -0.4961 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0291   -0.7843   -0.6297 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1930   -0.4225   -0.0224 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0457   -0.0090   -1.0460 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2577   -0.5485   -1.1201 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4103   -1.9269   -1.5446 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6071   -2.3813   -1.5828 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4339   -2.8141   -1.9135 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0054   -0.3512    0.1803 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0689    1.0137    0.4244 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2745   -1.1187    1.2138 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9597   -2.3378    1.4266 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8231   -1.3325    0.9471 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1818   -1.2222    2.2080 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3819    0.7819   -1.7822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6047    1.6471   -1.6695 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6984    1.2087   -2.6014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7483    5.1577   -3.2982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7998    3.9183   -4.2394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1762    3.4657   -3.0679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5984    3.0753   -2.9281 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5461    3.1465   -0.8311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4168    4.6415   -0.6955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5779    2.7217    1.1403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9572    3.7819    0.7609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1201    2.3082   -0.4230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2693    0.2380    0.3476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9739    1.8818    2.2816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0937    0.5829    2.5490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2459    0.0475    3.8072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0334    0.4158    2.5649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4843   -2.1002    4.1365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0855   -4.8322    1.0244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8316   -4.7300    1.0403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0137   -3.1438   -0.6016 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3556   -2.6929    0.4966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4275   -1.7476   -0.0139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4603   -1.6402    1.8040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0768   -3.1439    0.9894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8849   -0.9153   -0.9320 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2760    0.7976    0.1850 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9565    0.5450    0.5243 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8378    0.0714   -1.8731 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2857   -3.6186   -1.3021 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0139   -0.7947    0.0228 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5417    1.5464   -0.2193 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4352   -0.5671    2.1896 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9344   -2.0895    1.3856 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7231   -2.4197    0.7022 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2685   -0.2557    2.4895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5896    0.0328   -2.5494 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4717    1.4369   -1.9954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6987    1.7096   -3.5887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5586    0.1152   -2.9014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7107    1.3462   -2.1699 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  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  1
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 24 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 20 34  1  0
 34 35  1  0
 35 36  1  6
 35  4  1  0
 35  7  1  0
 19  8  1  0
 32 22  1  0
 17 11  1  0
  1 37  1  0
  1 38  1  0
  1 39  1  0
  4 40  1  6
  5 41  1  0
  5 42  1  0
  6 43  1  0
  6 44  1  0
  7 45  1  0
  8 46  1  0
  9 47  1  0
  9 48  1  0
 10 49  1  0
 10 50  1  0
 12 51  1  0
 15 52  1  0
 15 53  1  0
 16 54  1  0
 16 55  1  0
 18 56  1  0
 18 57  1  0
 18 58  1  0
 19 59  1  0
 20 60  1  0
 22 61  1  1
 24 62  1  6
 27 63  1  0
 28 64  1  6
 29 65  1  0
 30 66  1  1
 31 67  1  0
 32 68  1  6
 33 69  1  0
 34 70  1  0
 34 71  1  0
 36 72  1  0
 36 73  1  0
 36 74  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
11-HPG	HMDB
11-Hydroxyprogesterone 11-glucuronoside	HMDB
11alpha-Glucuronylprogesterone	HMDB
11alpha-Hydroxyprogesterone 11-glucuronide	HMDB
11alpha-Hydroxyprogesterone 11-glucuronoside	HMDB

Chemical Formula

C₂₇H₃₈O₉

Average Molecular Weight

506.5852

Monoisotopic Molecular Weight

506.251582814

IUPAC Name

(2S,3S,4S,5R,6R)-6-{[(2R,14S,15S)-14-acetyl-2,15-dimethyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-17-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

Traditional Name

(2S,3S,4S,5R,6R)-6-{[(2R,14S,15S)-14-acetyl-2,15-dimethyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-17-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

CAS Registry Number

77710-64-6

SMILES

CC(=O)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(C[C@]12C)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O

InChI Identifier

InChI=1S/C27H38O9/c1-12(28)16-6-7-17-15-5-4-13-10-14(29)8-9-26(13,2)19(15)18(11-27(16,17)3)35-25-22(32)20(30)21(31)23(36-25)24(33)34/h10,15-23,25,30-32H,4-9,11H2,1-3H3,(H,33,34)/t15?,16-,17?,18?,19?,20+,21+,22-,23+,25-,26+,27-/m1/s1

InChI Key

WVTMNZAPPOMZST-UCMXSJKRSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as steroid glucuronide conjugates. These are sterol lipids containing a glucuronide moiety linked to the steroid skeleton.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Sub Class

Steroidal glycosides

Direct Parent

Steroid glucuronide conjugates

Alternative Parents

Substituents

Steroid-glucuronide-skeleton
Progestogin-skeleton
20-oxosteroid
Pregnane-skeleton
3-oxo-delta-4-steroid
3-oxosteroid
Oxosteroid
Delta-4-steroid
1-o-glucuronide
O-glucuronide
Glucuronic acid or derivatives
Hexose monosaccharide
Glycosyl compound
O-glycosyl compound
Cyclohexenone
Beta-hydroxy acid
Pyran
Oxane
Hydroxy acid
Monosaccharide
Ketone
Secondary alcohol
Cyclic ketone
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Carboxylic acid
Oxacycle
Organoheterocyclic compound
Polyol
Acetal
Organooxygen compound
Carbonyl group
Hydrocarbon derivative
Alcohol
Organic oxygen compound
Organic oxide
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic compounds

External Descriptors

Glucuronides (LMST05010031 )

Ontology

Not Available

Urine (HMDB: HMDB0010364)
Blood (HMDB: HMDB0010364)

Cell membrane (HMDB: HMDB0010364)

Tissue substructure

Hepatic tissue (HMDB: HMDB0010364)

Organ

Liver (HMDB: HMDB0010364)
Kidney (HMDB: HMDB0010364)

Non-excretory biofluid

Biofluid or Excreta

Blood (HMDB: HMDB0010364)

Excreta

Biofluid or Excreta

Urine (HMDB: HMDB0010364)

Cellular substructure

Route of exposure

Enteral

Ingestion (HMDB: HMDB0010364)

Source

Endogenous

Endogenous (HMDB: HMDB0010364)

Animal

Animal (HMDB: HMDB0010364)

Exogenous

Food

Food (HMDB: HMDB0010364)

Animal origin

Poultry

Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Ostrich (FooDB: FOOD00422)
Velvet duck (FooDB: FOOD00427)
Pheasant (FooDB: FOOD00430)
Squab (FooDB: FOOD00481)
Turkey (FooDB: FOOD00494)
Quail (FooDB: FOOD00541)
Anatidae (FooDB: FOOD00576)
Rock ptarmigan (FooDB: FOOD00597)
Columbidae (Dove, Pigeon) (FooDB: FOOD00610)
Chicken (FooDB: FOOD00329)
Mallard duck (FooDB: FOOD00353)
Emu (FooDB: FOOD00360)

Equine

Horse (FooDB: FOOD00378)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

Deer (FooDB: FOOD00524)
Mule deer (FooDB: FOOD00348)
Elk (FooDB: FOOD00359)

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

Domestic pig (FooDB: FOOD00536)
Wild boar (FooDB: FOOD00307)

Process

Naturally occurring process

Biological process

Chemical reaction

Lipid peroxidation (HMDB: HMDB0010364)

Biochemical process

Fatty acid metabolism (HMDB: HMDB0010364)

Cellular process

Cell signaling (HMDB: HMDB0010364)

Biochemical pathway

Lipid metabolism pathway (HMDB: HMDB0010364)

Role

Biological role

Membrane stabilizer (HMDB: HMDB0010364)

Molecular messenger

Signaling molecule (HMDB: HMDB0010364)

Industrial application

Manufacturing industry

Material processing agent

Fluid processing agent

Surfactant

Surfactant (HMDB: HMDB0010364)

Emulsifier (HMDB: HMDB0010364)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	0.38 g/L	ALOGPS
logP	1.63	ALOGPS
logP	1.39	ChemAxon
logS	-3.1	ALOGPS
pKa (Strongest Acidic)	3.59	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	150.59 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	126.58 m³·mol⁻¹	ChemAxon
Polarizability	52.56 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M-2H]-	240.722	30932474
DeepCCS	[M+Na]+	215.42	30932474
AllCCS	[M+H]+	218.7	32859911
AllCCS	[M+H-H2O]+	217.1	32859911
AllCCS	[M+NH4]+	220.1	32859911
AllCCS	[M+Na]+	220.5	32859911
AllCCS	[M-H]-	214.5	32859911
AllCCS	[M+Na-2H]-	216.1	32859911
AllCCS	[M+HCOO]-	218.0	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
11-Hydroxyprogesterone 11-glucuronide	CC(=O)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(C[C@]12C)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O	4422.9	Standard polar	33892256
11-Hydroxyprogesterone 11-glucuronide	CC(=O)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(C[C@]12C)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O	3815.4	Standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide	CC(=O)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(C[C@]12C)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O	4368.5	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
11-Hydroxyprogesterone 11-glucuronide,1TMS,isomer #1	CC(=O)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C[C@@]21C	4185.1	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,1TMS,isomer #2	CC(=O)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C[C@@]21C	4198.8	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,1TMS,isomer #3	CC(=O)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C[C@@]21C	4201.5	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,1TMS,isomer #4	CC(=O)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)C[C@@]21C	4152.9	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,1TMS,isomer #5	CC(O[Si](C)(C)C)=C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)C[C@]12C	4198.2	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,1TMS,isomer #6	CC(=O)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)C[C@@]21C	4117.8	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,1TMS,isomer #7	C=C(O[Si](C)(C)C)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)C[C@@]21C	4110.4	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,2TMS,isomer #1	CC(=O)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C[C@@]21C	4118.3	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,2TMS,isomer #10	CC(=O)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C[C@@]21C	4057.7	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,2TMS,isomer #11	C=C(O[Si](C)(C)C)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C[C@@]21C	4066.3	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,2TMS,isomer #12	CC(=O)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C[C@@]21C	4123.8	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,2TMS,isomer #13	CC(O[Si](C)(C)C)=C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C[C@]12C	4115.2	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,2TMS,isomer #14	CC(=O)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C[C@@]21C	4064.0	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,2TMS,isomer #15	C=C(O[Si](C)(C)C)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C[C@@]21C	4055.9	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,2TMS,isomer #16	CC(O[Si](C)(C)C)=C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)C[C@]12C	4078.7	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,2TMS,isomer #17	CC(=O)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)C[C@@]21C	4023.1	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,2TMS,isomer #18	C=C(O[Si](C)(C)C)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)C[C@@]21C	4010.8	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,2TMS,isomer #19	CC(O[Si](C)(C)C)=C1CCC2C3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)C[C@]12C	4059.1	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,2TMS,isomer #2	CC(=O)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)C[C@@]21C	4137.0	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,2TMS,isomer #20	C=C(O[Si](C)(C)C)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)C[C@@]21C	3984.1	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,2TMS,isomer #3	CC(=O)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)C[C@@]21C	4147.8	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,2TMS,isomer #4	CC(O[Si](C)(C)C)=C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C[C@]12C	4106.1	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,2TMS,isomer #5	CC(=O)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C[C@@]21C	4054.0	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,2TMS,isomer #6	C=C(O[Si](C)(C)C)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C[C@@]21C	4047.2	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,2TMS,isomer #7	CC(=O)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C[C@@]21C	4128.9	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,2TMS,isomer #8	CC(=O)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C[C@@]21C	4146.7	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,2TMS,isomer #9	CC(O[Si](C)(C)C)=C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C[C@]12C	4127.5	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,3TMS,isomer #1	CC(=O)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)C[C@@]21C	4092.9	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,3TMS,isomer #10	CC(O[Si](C)(C)C)=C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)C[C@]12C	4060.3	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,3TMS,isomer #11	CC(=O)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)C[C@@]21C	4016.4	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,3TMS,isomer #12	C=C(O[Si](C)(C)C)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)C[C@@]21C	4017.8	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,3TMS,isomer #13	CC(O[Si](C)(C)C)=C1CCC2C3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C[C@]12C	3968.2	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,3TMS,isomer #14	C=C(O[Si](C)(C)C)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C[C@@]21C	3928.6	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,3TMS,isomer #15	CC(=O)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C[C@@]21C	4110.0	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,3TMS,isomer #16	CC(O[Si](C)(C)C)=C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C[C@]12C	4047.4	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,3TMS,isomer #17	CC(=O)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C[C@@]21C	3987.9	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,3TMS,isomer #18	C=C(O[Si](C)(C)C)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C[C@@]21C	3992.7	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,3TMS,isomer #19	CC(O[Si](C)(C)C)=C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C[C@]12C	4059.6	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,3TMS,isomer #2	CC(=O)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)C[C@@]21C	4105.1	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,3TMS,isomer #20	CC(=O)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C[C@@]21C	4013.4	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,3TMS,isomer #21	C=C(O[Si](C)(C)C)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C[C@@]21C	4018.3	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,3TMS,isomer #22	CC(O[Si](C)(C)C)=C1CCC2C3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C[C@]12C	3972.6	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,3TMS,isomer #23	C=C(O[Si](C)(C)C)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C[C@@]21C	3928.9	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,3TMS,isomer #24	CC(O[Si](C)(C)C)=C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C[C@]12C	4032.4	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,3TMS,isomer #25	CC(=O)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C[C@@]21C	3989.9	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,3TMS,isomer #26	C=C(O[Si](C)(C)C)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C[C@@]21C	3988.3	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,3TMS,isomer #27	CC(O[Si](C)(C)C)=C1CCC2C3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C[C@]12C	3972.3	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,3TMS,isomer #28	C=C(O[Si](C)(C)C)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C[C@@]21C	3929.1	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,3TMS,isomer #29	CC(O[Si](C)(C)C)=C1CCC2C3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)C[C@]12C	3947.5	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,3TMS,isomer #3	CC(O[Si](C)(C)C)=C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C[C@]12C	4032.6	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,3TMS,isomer #30	C=C(O[Si](C)(C)C)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)C[C@@]21C	3905.5	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,3TMS,isomer #4	CC(=O)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C[C@@]21C	3980.4	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,3TMS,isomer #5	C=C(O[Si](C)(C)C)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C[C@@]21C	3978.7	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,3TMS,isomer #6	CC(=O)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C[C@@]21C	4110.3	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,3TMS,isomer #7	CC(O[Si](C)(C)C)=C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)C[C@]12C	4052.2	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,3TMS,isomer #8	CC(=O)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)C[C@@]21C	4004.8	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,3TMS,isomer #9	C=C(O[Si](C)(C)C)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)C[C@@]21C	4010.8	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,4TMS,isomer #1	CC(=O)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C[C@@]21C	4071.8	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,4TMS,isomer #10	CC(O[Si](C)(C)C)=C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C[C@]12C	4009.9	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,4TMS,isomer #11	CC(=O)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C[C@@]21C	3986.4	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,4TMS,isomer #12	C=C(O[Si](C)(C)C)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C[C@@]21C	3997.5	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,4TMS,isomer #13	CC(O[Si](C)(C)C)=C1CCC2C3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)C[C@]12C	3914.5	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,4TMS,isomer #14	C=C(O[Si](C)(C)C)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)C[C@@]21C	3891.8	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,4TMS,isomer #15	CC(O[Si](C)(C)C)=C1CCC2C3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)C[C@]12C	3920.8	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,4TMS,isomer #16	C=C(O[Si](C)(C)C)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)C[C@@]21C	3891.6	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,4TMS,isomer #17	CC(O[Si](C)(C)C)=C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C[C@]12C	4006.8	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,4TMS,isomer #18	CC(=O)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C[C@@]21C	3966.3	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,4TMS,isomer #19	C=C(O[Si](C)(C)C)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C[C@@]21C	3968.4	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,4TMS,isomer #2	CC(O[Si](C)(C)C)=C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)C[C@]12C	3994.2	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,4TMS,isomer #20	CC(O[Si](C)(C)C)=C1CCC2C3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C[C@]12C	3894.5	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,4TMS,isomer #21	C=C(O[Si](C)(C)C)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)C[C@@]21C	3868.9	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,4TMS,isomer #22	CC(O[Si](C)(C)C)=C1CCC2C3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C[C@]12C	3913.3	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,4TMS,isomer #23	C=C(O[Si](C)(C)C)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C[C@@]21C	3890.4	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,4TMS,isomer #24	CC(O[Si](C)(C)C)=C1CCC2C3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C[C@]12C	3901.8	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,4TMS,isomer #25	C=C(O[Si](C)(C)C)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)C[C@@]21C	3874.6	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,4TMS,isomer #3	CC(=O)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)C[C@@]21C	3952.7	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,4TMS,isomer #4	C=C(O[Si](C)(C)C)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)C[C@@]21C	3958.9	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,4TMS,isomer #5	CC(O[Si](C)(C)C)=C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)C[C@]12C	4009.3	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,4TMS,isomer #6	CC(=O)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)C[C@@]21C	3965.5	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,4TMS,isomer #7	C=C(O[Si](C)(C)C)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)C[C@@]21C	3965.1	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,4TMS,isomer #8	CC(O[Si](C)(C)C)=C1CCC2C3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C[C@]12C	3896.0	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,4TMS,isomer #9	C=C(O[Si](C)(C)C)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)C[C@@]21C	3871.3	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,5TMS,isomer #1	CC(O[Si](C)(C)C)=C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C[C@]12C	3956.2	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,5TMS,isomer #1	CC(O[Si](C)(C)C)=C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C[C@]12C	4158.0	Standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,5TMS,isomer #1	CC(O[Si](C)(C)C)=C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C[C@]12C	4570.4	Standard polar	33892256
11-Hydroxyprogesterone 11-glucuronide,5TMS,isomer #10	CC(O[Si](C)(C)C)=C1CCC2C3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C[C@]12C	3843.5	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,5TMS,isomer #10	CC(O[Si](C)(C)C)=C1CCC2C3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C[C@]12C	4098.7	Standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,5TMS,isomer #10	CC(O[Si](C)(C)C)=C1CCC2C3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C[C@]12C	4697.5	Standard polar	33892256
11-Hydroxyprogesterone 11-glucuronide,5TMS,isomer #11	C=C(O[Si](C)(C)C)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C[C@@]21C	3839.3	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,5TMS,isomer #11	C=C(O[Si](C)(C)C)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C[C@@]21C	4047.2	Standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,5TMS,isomer #11	C=C(O[Si](C)(C)C)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C[C@@]21C	4768.3	Standard polar	33892256
11-Hydroxyprogesterone 11-glucuronide,5TMS,isomer #2	CC(=O)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C[C@@]21C	3913.6	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,5TMS,isomer #2	CC(=O)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C[C@@]21C	4118.9	Standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,5TMS,isomer #2	CC(=O)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C[C@@]21C	4581.7	Standard polar	33892256
11-Hydroxyprogesterone 11-glucuronide,5TMS,isomer #3	C=C(O[Si](C)(C)C)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C[C@@]21C	3944.6	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,5TMS,isomer #3	C=C(O[Si](C)(C)C)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C[C@@]21C	4115.3	Standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,5TMS,isomer #3	C=C(O[Si](C)(C)C)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C[C@@]21C	4639.5	Standard polar	33892256
11-Hydroxyprogesterone 11-glucuronide,5TMS,isomer #4	CC(O[Si](C)(C)C)=C1CCC2C3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)C[C@]12C	3835.2	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,5TMS,isomer #4	CC(O[Si](C)(C)C)=C1CCC2C3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)C[C@]12C	4098.3	Standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,5TMS,isomer #4	CC(O[Si](C)(C)C)=C1CCC2C3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)C[C@]12C	4703.2	Standard polar	33892256
11-Hydroxyprogesterone 11-glucuronide,5TMS,isomer #5	C=C(O[Si](C)(C)C)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)C[C@@]21C	3824.5	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,5TMS,isomer #5	C=C(O[Si](C)(C)C)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)C[C@@]21C	4044.6	Standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,5TMS,isomer #5	C=C(O[Si](C)(C)C)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)C[C@@]21C	4774.4	Standard polar	33892256
11-Hydroxyprogesterone 11-glucuronide,5TMS,isomer #6	CC(O[Si](C)(C)C)=C1CCC2C3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)C[C@]12C	3844.9	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,5TMS,isomer #6	CC(O[Si](C)(C)C)=C1CCC2C3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)C[C@]12C	4103.8	Standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,5TMS,isomer #6	CC(O[Si](C)(C)C)=C1CCC2C3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)C[C@]12C	4682.3	Standard polar	33892256
11-Hydroxyprogesterone 11-glucuronide,5TMS,isomer #7	C=C(O[Si](C)(C)C)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)C[C@@]21C	3835.4	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,5TMS,isomer #7	C=C(O[Si](C)(C)C)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)C[C@@]21C	4050.3	Standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,5TMS,isomer #7	C=C(O[Si](C)(C)C)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)C[C@@]21C	4753.7	Standard polar	33892256
11-Hydroxyprogesterone 11-glucuronide,5TMS,isomer #8	CC(O[Si](C)(C)C)=C1CCC2C3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C[C@]12C	3876.1	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,5TMS,isomer #8	CC(O[Si](C)(C)C)=C1CCC2C3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C[C@]12C	4090.6	Standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,5TMS,isomer #8	CC(O[Si](C)(C)C)=C1CCC2C3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C[C@]12C	4690.9	Standard polar	33892256
11-Hydroxyprogesterone 11-glucuronide,5TMS,isomer #9	C=C(O[Si](C)(C)C)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C[C@@]21C	3873.0	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,5TMS,isomer #9	C=C(O[Si](C)(C)C)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C[C@@]21C	4031.5	Standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,5TMS,isomer #9	C=C(O[Si](C)(C)C)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C[C@@]21C	4762.0	Standard polar	33892256
11-Hydroxyprogesterone 11-glucuronide,1TBDMS,isomer #1	CC(=O)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)C[C@@]21C	4402.5	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,1TBDMS,isomer #2	CC(=O)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C[C@@]21C	4422.5	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,1TBDMS,isomer #3	CC(=O)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C[C@@]21C	4421.4	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,1TBDMS,isomer #4	CC(=O)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)C[C@@]21C	4413.0	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,1TBDMS,isomer #5	CC(O[Si](C)(C)C(C)(C)C)=C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)C[C@]12C	4420.2	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,1TBDMS,isomer #6	CC(=O)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)C[C@@]21C	4364.4	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,1TBDMS,isomer #7	C=C(O[Si](C)(C)C(C)(C)C)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)C[C@@]21C	4350.5	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,2TBDMS,isomer #1	CC(=O)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)C[C@@]21C	4575.6	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,2TBDMS,isomer #10	CC(=O)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C[C@@]21C	4529.8	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,2TBDMS,isomer #11	C=C(O[Si](C)(C)C(C)(C)C)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C[C@@]21C	4530.1	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,2TBDMS,isomer #12	CC(=O)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C[C@@]21C	4588.5	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,2TBDMS,isomer #13	CC(O[Si](C)(C)C(C)(C)C)=C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C[C@]12C	4563.9	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,2TBDMS,isomer #14	CC(=O)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C[C@@]21C	4535.0	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,2TBDMS,isomer #15	C=C(O[Si](C)(C)C(C)(C)C)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C[C@@]21C	4528.7	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,2TBDMS,isomer #16	CC(O[Si](C)(C)C(C)(C)C)=C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)C[C@]12C	4557.2	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,2TBDMS,isomer #17	CC(=O)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)C[C@@]21C	4499.9	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,2TBDMS,isomer #18	C=C(O[Si](C)(C)C(C)(C)C)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)C[C@@]21C	4504.4	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,2TBDMS,isomer #19	CC(O[Si](C)(C)C(C)(C)C)=C1CCC2C3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)C[C@]12C	4514.8	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,2TBDMS,isomer #2	CC(=O)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C[C@@]21C	4567.5	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,2TBDMS,isomer #20	C=C(O[Si](C)(C)C(C)(C)C)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)C[C@@]21C	4475.2	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,2TBDMS,isomer #3	CC(=O)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C[C@@]21C	4572.0	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,2TBDMS,isomer #4	CC(O[Si](C)(C)C(C)(C)C)=C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)C[C@]12C	4546.5	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,2TBDMS,isomer #5	CC(=O)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)C[C@@]21C	4521.5	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,2TBDMS,isomer #6	C=C(O[Si](C)(C)C(C)(C)C)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)C[C@@]21C	4511.6	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,2TBDMS,isomer #7	CC(=O)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C[C@@]21C	4594.5	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,2TBDMS,isomer #8	CC(=O)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)C[C@@]21C	4580.0	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,2TBDMS,isomer #9	CC(O[Si](C)(C)C(C)(C)C)=C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C[C@]12C	4566.9	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,3TBDMS,isomer #1	CC(=O)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C[C@@]21C	4726.6	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,3TBDMS,isomer #10	CC(O[Si](C)(C)C(C)(C)C)=C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C[C@]12C	4694.3	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,3TBDMS,isomer #11	CC(=O)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C[C@@]21C	4670.4	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,3TBDMS,isomer #12	C=C(O[Si](C)(C)C(C)(C)C)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C[C@@]21C	4679.2	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,3TBDMS,isomer #13	CC(O[Si](C)(C)C(C)(C)C)=C1CCC2C3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)C[C@]12C	4639.8	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,3TBDMS,isomer #14	C=C(O[Si](C)(C)C(C)(C)C)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)C[C@@]21C	4608.9	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,3TBDMS,isomer #15	CC(=O)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)C[C@@]21C	4742.5	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,3TBDMS,isomer #16	CC(O[Si](C)(C)C(C)(C)C)=C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C[C@]12C	4705.1	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,3TBDMS,isomer #17	CC(=O)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C[C@@]21C	4652.1	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,3TBDMS,isomer #18	C=C(O[Si](C)(C)C(C)(C)C)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C[C@@]21C	4683.1	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,3TBDMS,isomer #19	CC(O[Si](C)(C)C(C)(C)C)=C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)C[C@]12C	4697.8	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,3TBDMS,isomer #2	CC(=O)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C[C@@]21C	4734.1	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,3TBDMS,isomer #20	CC(=O)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)C[C@@]21C	4668.1	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,3TBDMS,isomer #21	C=C(O[Si](C)(C)C(C)(C)C)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)C[C@@]21C	4683.9	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,3TBDMS,isomer #22	CC(O[Si](C)(C)C(C)(C)C)=C1CCC2C3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C[C@]12C	4636.8	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,3TBDMS,isomer #23	C=C(O[Si](C)(C)C(C)(C)C)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C[C@@]21C	4609.8	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,3TBDMS,isomer #24	CC(O[Si](C)(C)C(C)(C)C)=C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C[C@]12C	4701.5	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,3TBDMS,isomer #25	CC(=O)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C[C@@]21C	4670.4	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,3TBDMS,isomer #26	C=C(O[Si](C)(C)C(C)(C)C)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C[C@@]21C	4686.8	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,3TBDMS,isomer #27	CC(O[Si](C)(C)C(C)(C)C)=C1CCC2C3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C[C@]12C	4652.2	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,3TBDMS,isomer #28	C=C(O[Si](C)(C)C(C)(C)C)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C[C@@]21C	4627.2	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,3TBDMS,isomer #29	CC(O[Si](C)(C)C(C)(C)C)=C1CCC2C3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)C[C@]12C	4624.8	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,3TBDMS,isomer #3	CC(O[Si](C)(C)C(C)(C)C)=C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)C[C@]12C	4687.2	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,3TBDMS,isomer #30	C=C(O[Si](C)(C)C(C)(C)C)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)C[C@@]21C	4602.0	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,3TBDMS,isomer #4	CC(=O)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)C[C@@]21C	4658.4	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,3TBDMS,isomer #5	C=C(O[Si](C)(C)C(C)(C)C)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)C[C@@]21C	4668.1	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,3TBDMS,isomer #6	CC(=O)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)C[C@@]21C	4731.4	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,3TBDMS,isomer #7	CC(O[Si](C)(C)C(C)(C)C)=C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C[C@]12C	4682.2	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,3TBDMS,isomer #8	CC(=O)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C[C@@]21C	4659.2	Semi standard non polar	33892256
11-Hydroxyprogesterone 11-glucuronide,3TBDMS,isomer #9	C=C(O[Si](C)(C)C(C)(C)C)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O[C@@H]3O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C[C@@]21C	4673.8	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - 11-Hydroxyprogesterone 11-glucuronide GC-MS (Non-derivatized) - 70eV, Positive	splash10-01rl-5501900000-0d8595e77478b2661b72	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 11-Hydroxyprogesterone 11-glucuronide GC-MS (2 TMS) - 70eV, Positive	splash10-000i-6432019000-22b82188f6f99a03a222	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 11-Hydroxyprogesterone 11-glucuronide GC-MS (TBDMS_3_24) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 11-Hydroxyprogesterone 11-glucuronide GC-MS (TBDMS_3_26) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 11-Hydroxyprogesterone 11-glucuronide GC-MS ("11-Hydroxyprogesterone 11-glucuronide,3TBDMS,#24" TMS) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 11-Hydroxyprogesterone 11-glucuronide 10V, Positive-QTOF	splash10-06sr-0119520000-00cd2ae44f4b277cca4a	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 11-Hydroxyprogesterone 11-glucuronide 20V, Positive-QTOF	splash10-01q9-0339100000-5cdee27c866c1d77621f	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 11-Hydroxyprogesterone 11-glucuronide 40V, Positive-QTOF	splash10-03e9-1596000000-8c8fee15021092bb85b6	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 11-Hydroxyprogesterone 11-glucuronide 10V, Negative-QTOF	splash10-0bvi-2209560000-cc4a6449a2e44480f5bf	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 11-Hydroxyprogesterone 11-glucuronide 20V, Negative-QTOF	splash10-004i-1209200000-655ad8268835d6d32de6	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 11-Hydroxyprogesterone 11-glucuronide 40V, Negative-QTOF	splash10-01t9-4129000000-f8803bba901cad0953c9	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 11-Hydroxyprogesterone 11-glucuronide 10V, Positive-QTOF	splash10-0a4i-0003390000-56044fb26d51bff61db0	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 11-Hydroxyprogesterone 11-glucuronide 20V, Positive-QTOF	splash10-014r-1975410000-71b0016271896fa8882c	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 11-Hydroxyprogesterone 11-glucuronide 40V, Positive-QTOF	splash10-00ku-3911100000-cae6804df35c322353dc	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 11-Hydroxyprogesterone 11-glucuronide 10V, Negative-QTOF	splash10-0a4i-0000290000-8ad0467297f5f35e7c7f	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 11-Hydroxyprogesterone 11-glucuronide 20V, Negative-QTOF	splash10-0a4i-2002940000-a7b2d653f8a1131d23e2	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 11-Hydroxyprogesterone 11-glucuronide 40V, Negative-QTOF	splash10-0a59-9002810000-e620a3319d020ad72c87	2021-09-24	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular
Membrane

Biospecimen Locations

Blood
Urine

Tissue Locations

Kidney
Liver

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Expected but not Quantified	Not Quantified	Not Available	Not Available	Normal	Not Available	details
Urine	Expected but not Quantified	Not Quantified	Not Available	Not Available	Normal	Not Available	details

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB027516

KNApSAcK ID

Not Available

Chemspider ID

24850122

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

42621273

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Not Available

Only showing the first 10 proteins. There are 21 proteins in total.

Show all enzymes and transporters

Enzymes

Enzyme Details

1. UDP-glucuronosyltransferase 2B28

General function:: Involved in transferase activity, transferring hexosyl groups
Specific function:: UDPGTs are of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isozyme has glucuronidating capacity with steroid substrates such as 5-beta-androstane 3-alpha,17-beta-diol, estradiol, ADT, eugenol and bile acids. Only isoform 1 seems to be active.
Gene Name:: UGT2B28
Uniprot ID:: Q9BY64
Molecular weight:: 38742.9

Enzyme Details

2. UDP-glucuronosyltransferase 2B4

General function:: Involved in transferase activity, transferring hexosyl groups
Specific function:: UDPGTs are of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isozyme is active on polyhydroxylated estrogens (such as estriol, 4-hydroxyestrone and 2-hydroxyestriol) and xenobiotics (such as 4-methylumbelliferone, 1-naphthol, 4-nitrophenol, 2-aminophenol, 4-hydroxybiphenyl and menthol). It is capable of 6 alpha-hydroxyglucuronidation of hyodeoxycholic acid.
Gene Name:: UGT2B4
Uniprot ID:: P06133
Molecular weight:: 60512.035

Enzyme Details

3. UDP-glucuronosyltransferase 1-4

General function:: Involved in transferase activity, transferring hexosyl groups
Specific function:: UDPGT is of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isoform glucuronidates bilirubin IX-alpha to form both the IX-alpha-C8 and IX-alpha-C12 monoconjugates and diconjugate.
Gene Name:: UGT1A4
Uniprot ID:: P22310
Molecular weight:: 60024.535

Enzyme Details

4. UDP-glucuronosyltransferase 2B7

General function:: Involved in transferase activity, transferring hexosyl groups
Specific function:: UDPGT is of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. Its unique specificity for 3,4-catechol estrogens and estriol suggests it may play an important role in regulating the level and activity of these potent and active estrogen metabolites. Is also active with androsterone, hyodeoxycholic acid and tetrachlorocatechol (in vitro).
Gene Name:: UGT2B7
Uniprot ID:: P16662
Molecular weight:: 60720.15

Enzyme Details

5. UDP-glucuronosyltransferase 2B15

General function:: Involved in transferase activity, transferring hexosyl groups
Specific function:: UDPGTs are of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isozyme displays activity toward several classes of xenobiotic substrates, including simple phenolic compounds, 7-hydroxylated coumarins, flavonoids, anthraquinones, and certain drugs and their hydroxylated metabolites. It also catalyzes the glucuronidation of endogenous estrogens and androgens.
Gene Name:: UGT2B15
Uniprot ID:: P54855
Molecular weight:: 61035.815

Enzyme Details

6. UDP-glucuronosyltransferase 2A1

General function:: Involved in transferase activity, transferring hexosyl groups
Specific function:: UDP-glucuronosyltransferases catalyze phase II biotransformation reactions in which lipophilic substrates are conjugated with glucuronic acid to increase water solubility and enhance excretion. They are of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. Active on odorants and seems to be involved in olfaction; it could help clear lipophilic odorant molecules from the sensory epithelium.
Gene Name:: UGT2A1
Uniprot ID:: Q9Y4X1
Molecular weight:: 60771.605

Enzyme Details

7. UDP-glucuronosyltransferase 1-1

General function:: Involved in transferase activity, transferring hexosyl groups
Specific function:: UDPGT is of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isoform glucuronidates bilirubin IX-alpha to form both the IX-alpha-C8 and IX-alpha-C12 monoconjugates and diconjugate. Is also able to catalyze the glucuronidation of 17beta-estradiol, 17alpha-ethinylestradiol, 1-hydroxypyrene, 4-methylumbelliferone, 1-naphthol, paranitrophenol, scopoletin, and umbelliferone.
Gene Name:: UGT1A1
Uniprot ID:: P22309
Molecular weight:: 59590.91

Enzyme Details

8. UDP-glucuronosyltransferase 1-9

General function:: Involved in transferase activity, transferring hexosyl groups
Specific function:: UDPGT is of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isoform has specificity for phenols.
Gene Name:: UGT1A9
Uniprot ID:: O60656
Molecular weight:: 59940.495

Enzyme Details

9. UDP-glucuronosyltransferase 1-8

General function:: Involved in transferase activity, transferring hexosyl groups
Specific function:: UDPGT is of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds.
Gene Name:: UGT1A8
Uniprot ID:: Q9HAW9
Molecular weight:: 59741.035

Enzyme Details

10. UDP-glucuronosyltransferase 1-3

General function:: Involved in transferase activity, transferring hexosyl groups
Specific function:: UDPGT is of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds.
Gene Name:: UGT1A3
Uniprot ID:: P35503
Molecular weight:: 60337.835

Only showing the first 10 proteins. There are 21 proteins in total.

Show all enzymes and transporters

Showing metabocard for 11-Hydroxyprogesterone 11-glucuronide (HMDB0010364)

MOL for HMDB0010364 (11-Hydroxyprogesterone 11-glucuronide)

3D MOL for HMDB0010364 (11-Hydroxyprogesterone 11-glucuronide)

3D SDF for HMDB0010364 (11-Hydroxyprogesterone 11-glucuronide)

3D-SDF for HMDB0010364 (11-Hydroxyprogesterone 11-glucuronide)

PDB for HMDB0010364 (11-Hydroxyprogesterone 11-glucuronide)

3D PDB for HMDB0010364 (11-Hydroxyprogesterone 11-glucuronide)

SMILES for HMDB0010364 (11-Hydroxyprogesterone 11-glucuronide)

INCHI for HMDB0010364 (11-Hydroxyprogesterone 11-glucuronide)

Structure for HMDB0010364 (11-Hydroxyprogesterone 11-glucuronide)

3D Structure for HMDB0010364 (11-Hydroxyprogesterone 11-glucuronide)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

Enzymes