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Showing metabocard for Cholestane-3,7,12,25-tetrol-3-glucuronide (HMDB0010355)

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enzymes (18) Show 18 proteins
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2008-09-16 08:27:00 UTC
Update Date2022-03-07 02:50:53 UTC
HMDB IDHMDB0010355
Secondary Accession Numbers
  • HMDB10355
Metabolite Identification
Common NameCholestane-3,7,12,25-tetrol-3-glucuronide
DescriptionCholestane-3,7,12,25-tetrol-3-glucuronide is a natural human metabolite of Cholestane-3,7,12,25-tetrol 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
Data?1582752818
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0010355 (Cholestane-3,7,12,25-tetrol-3-glucuronide)


  Mrv0541 02241200512D          

 44 48  0  0  1  0            999 V2000
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M  END
Download

3D MOL for HMDB0010355 (Cholestane-3,7,12,25-tetrol-3-glucuronide)

HMDB0010355
     RDKit          3D
Cholestane-3,7,12,25-tetrol-3-glucuronide
 99103  0  0  0  0  0  0  0  0999 V2000
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 41 96  1  0
 43 97  1  0
 43 98  1  0
 43 99  1  0
M  END
Download

3D SDF for HMDB0010355 (Cholestane-3,7,12,25-tetrol-3-glucuronide)


  Mrv0541 02241200512D          

 44 48  0  0  1  0            999 V2000
   18.4702   -5.5368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2026   -9.2753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7354   -9.2925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0257   -8.0523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3032  -10.1119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8775   -9.2815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8838   -7.6315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6031   -6.3967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0320   -6.4023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1846   -6.7743    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.1846   -7.5993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4702   -8.0118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7557   -7.5993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0049   -8.0175    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   19.9652   -6.5230    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.4702   -6.3618    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.9983   -8.8767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7557   -6.7743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9652   -7.8507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4834   -8.8710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4467   -7.1868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7425   -9.3065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2403   -7.5521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1846   -5.9493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2216   -5.7387    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.2266   -9.3303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0113   -7.1925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4583   -7.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4514   -8.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0288   -5.5686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6705   -5.1246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2851   -4.7845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0225   -8.8772    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   22.0923   -4.6143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3160   -6.8120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6580   -6.4141    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.1559   -3.6601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.7977   -3.2161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5414   -4.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 16  1  1  1  0  0  0
  2 20  1  0  0  0  0
  3 29  1  0  0  0  0
 33  3  1  1  0  0  0
  4 33  1  0  0  0  0
  4 38  1  0  0  0  0
 35  5  1  6  0  0  0
 37  6  1  6  0  0  0
 39  7  1  6  0  0  0
  8 40  1  0  0  0  0
  9 40  2  0  0  0  0
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 10 24  1  1  0  0  0
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 30 32  1  0  0  0  0
 32 34  1  0  0  0  0
 33 35  1  0  0  0  0
 34 36  1  0  0  0  0
 35 37  1  0  0  0  0
 37 39  1  0  0  0  0
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 42 36  1  0  0  0  0
 43 36  1  0  0  0  0
 44 36  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0010355

> <DATABASE_NAME>
hmdb

> <SMILES>
[H][C@@]1(CCC2C3C(O)CC4CC(CC[C@]4(C)C3C[C@@H](O)[C@]12C)O[C@@H]1O[C@@H]([C@@H](O)[C@@H](O)[C@H]1O)C(O)=O)[C@H](C)CCCC(C)(C)O

> <INCHI_IDENTIFIER>
InChI=1S/C33H56O10/c1-16(7-6-11-31(2,3)41)19-8-9-20-24-21(15-23(35)33(19,20)5)32(4)12-10-18(13-17(32)14-22(24)34)42-30-27(38)25(36)26(37)28(43-30)29(39)40/h16-28,30,34-38,41H,6-15H2,1-5H3,(H,39,40)/t16-,17?,18?,19-,20?,21?,22?,23-,24?,25-,26+,27-,28+,30-,32+,33-/m1/s1

> <INCHI_KEY>
FHOADKVSESICIH-YQDZQFSMSA-N

> <FORMULA>
C33H56O10

> <MOLECULAR_WEIGHT>
612.7917

> <EXACT_MASS>
612.387348012

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_AVERAGE_POLARIZABILITY>
69.44096351373699

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,3S,4R,5R,6R)-6-{[(2S,14R,15R,16R)-9,16-dihydroxy-14-[(2R)-6-hydroxy-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

> <ALOGPS_LOGP>
2.03

> <JCHEM_LOGP>
2.057216855333333

> <ALOGPS_LOGS>
-3.82

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
12.227618832050986

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.467348453937595

> <JCHEM_PKA_STRONGEST_BASIC>
-0.15223316019736488

> <JCHEM_POLAR_SURFACE_AREA>
177.14

> <JCHEM_REFRACTIVITY>
156.9913

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
9.36e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S,3S,4R,5R,6R)-6-{[(2S,14R,15R,16R)-9,16-dihydroxy-14-[(2R)-6-hydroxy-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0010355 (Cholestane-3,7,12,25-tetrol-3-glucuronide)

HMDB0010355
     RDKit          3D
Cholestane-3,7,12,25-tetrol-3-glucuronide
 99103  0  0  0  0  0  0  0  0999 V2000
   -5.4537    1.1308   -1.5490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8458    0.3870   -0.3265 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.6411    0.8927    0.8377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1205    0.5867    0.6901 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3883   -0.8877    0.5897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9043   -1.0451    0.4461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2136   -2.5252    0.3420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4317   -0.3430   -0.7637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5194   -0.5872    1.6305 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4051    0.7211   -0.3444 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.0891    2.1982   -0.2068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2869    2.2197    1.0828 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4263    0.9717    1.0257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2920    1.1284    0.0237 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5199    2.3259    0.3681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0483    3.4717   -0.2467 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9345    2.3167   -0.0269 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5772    0.9849   -0.2844 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0230    0.9727    0.1773 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6782   -0.2381   -0.4449 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0390   -0.3054   -0.2659 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7501   -0.4244   -1.4398 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.5074   -1.5439   -1.5747 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4156   -1.6671   -0.5466 C   0  0  2  0  0  0  0  0  0  0  0  0
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    6.9740   -3.3019    0.3449 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8341   -2.8785    1.5704 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7536   -0.3554    0.0789 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0342   -0.4761    0.6486 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8901    0.6519   -1.0599 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8979    0.2236   -1.9226 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5680    0.8073   -1.7809 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8156    0.9323   -3.1340 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0238   -1.4480    0.1898 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5297   -1.4244    0.0386 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8617   -0.1475    0.4115 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9424    0.0498    1.8944 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4507   -0.1359   -0.1354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3938   -1.2891    0.4007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7486   -1.1218   -0.2464 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4476   -2.3130   -0.2969 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4787   -0.0371    0.5239 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.0579   -0.6816    1.7385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7757    2.1408   -1.2650 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.5303    1.1533   -0.1711 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.9471   -1.3669   -0.2898 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7445   -0.2336    0.0159 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0960    1.7320   -1.4413 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1416    0.4441   -3.6745 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4623   -2.3947   -0.2153 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2604   -1.4422    1.2722 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1415   -2.2625    0.6903 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3162   -1.7579   -0.9967 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0525   -0.1892    2.4665 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2215    1.1095    2.1630 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5732   -0.3712   -1.2358 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.2776   -1.4146    2.1250 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  6  9  1  0
  2 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 18 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  0
 36 37  1  1
 36 38  1  0
 38 39  1  0
 39 40  1  0
 40 41  1  0
 40 42  1  0
 42 43  1  1
 42 10  1  0
 42 13  1  0
 38 14  1  0
 36 18  1  0
 32 22  1  0
  1 44  1  0
  1 45  1  0
  1 46  1  0
  2 47  1  6
  3 48  1  0
  3 49  1  0
  4 50  1  0
  4 51  1  0
  5 52  1  0
  5 53  1  0
  7 54  1  0
  7 55  1  0
  7 56  1  0
  8 57  1  0
  8 58  1  0
  8 59  1  0
  9 60  1  0
 10 61  1  6
 11 62  1  0
 11 63  1  0
 12 64  1  0
 12 65  1  0
 13 66  1  0
 14 67  1  0
 15 68  1  0
 16 69  1  0
 17 70  1  0
 17 71  1  0
 18 72  1  0
 19 73  1  0
 19 74  1  0
 20 75  1  0
 22 76  1  6
 24 77  1  6
 27 78  1  0
 28 79  1  1
 29 80  1  0
 30 81  1  1
 31 82  1  0
 32 83  1  1
 33 84  1  0
 34 85  1  0
 34 86  1  0
 35 87  1  0
 35 88  1  0
 37 89  1  0
 37 90  1  0
 37 91  1  0
 38 92  1  0
 39 93  1  0
 39 94  1  0
 40 95  1  6
 41 96  1  0
 43 97  1  0
 43 98  1  0
 43 99  1  0
M  END
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PDB for HMDB0010355 (Cholestane-3,7,12,25-tetrol-3-glucuronide)

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      34.478 -10.335   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0      35.845 -17.314   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0      27.506 -17.346   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      26.181 -15.031   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0      24.833 -18.876   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0      22.171 -17.325   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0      22.183 -14.245   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0      23.526 -11.941   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0      26.193 -11.951   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      35.811 -12.645   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      35.811 -14.185   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      34.478 -14.955   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      33.144 -14.185   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      31.742 -14.966   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      37.268 -12.176   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      34.478 -11.875   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      31.730 -16.570   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      33.144 -12.645   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      37.268 -14.655   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      34.502 -16.559   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      38.167 -13.415   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      33.119 -17.372   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      30.315 -14.097   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      35.811 -11.105   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      37.747 -10.712   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      30.290 -17.417   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      31.754 -13.426   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      28.855 -14.910   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      28.843 -16.581   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      39.254 -10.395   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      36.718  -9.566   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      39.732  -8.931   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      26.175 -16.571   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      41.239  -8.613   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      24.839 -17.336   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      41.718  -7.150   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      23.508 -16.561   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      24.851 -14.256   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      23.514 -15.021   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      24.857 -12.716   0.000  0.00  0.00           C+0
HETATM   41  H   UNK     0      38.562 -11.973   0.000  0.00  0.00           H+0
HETATM   42  O   UNK     0      43.224  -6.832   0.000  0.00  0.00           O+0
HETATM   43  C   UNK     0      40.689  -6.003   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      40.211  -7.467   0.000  0.00  0.00           C+0
CONECT    1   16                                                            
CONECT    2   20                                                            
CONECT    3   29   33                                                       
CONECT    4   33   38                                                       
CONECT    5   35                                                            
CONECT    6   37                                                            
CONECT    7   39                                                            
CONECT    8   40                                                            
CONECT    9   40                                                            
CONECT   10   11   15   16   24                                             
CONECT   11   10   12   19                                                  
CONECT   12   11   13   20                                                  
CONECT   13   12   14   18                                                  
CONECT   14   13   17   23   27                                             
CONECT   15   10   21   25   41                                             
CONECT   16    1   10   18                                                  
CONECT   17   14   22   26                                                  
CONECT   18   13   16                                                       
CONECT   19   11   21                                                       
CONECT   20    2   12   22                                                  
CONECT   21   15   19                                                       
CONECT   22   17   20                                                       
CONECT   23   14   28                                                       
CONECT   24   10                                                            
CONECT   25   15   30   31                                                  
CONECT   26   17   29                                                       
CONECT   27   14                                                            
CONECT   28   23   29                                                       
CONECT   29    3   26   28                                                  
CONECT   30   25   32                                                       
CONECT   31   25                                                            
CONECT   32   30   34                                                       
CONECT   33    3    4   35                                                  
CONECT   34   32   36                                                       
CONECT   35    5   33   37                                                  
CONECT   36   34   42   43   44                                             
CONECT   37    6   35   39                                                  
CONECT   38    4   39   40                                                  
CONECT   39    7   37   38                                                  
CONECT   40    8    9   38                                                  
CONECT   41   15                                                            
CONECT   42   36                                                            
CONECT   43   36                                                            
CONECT   44   36                                                            
MASTER        0    0    0    0    0    0    0    0   44    0   96    0
END
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3D PDB for HMDB0010355 (Cholestane-3,7,12,25-tetrol-3-glucuronide)

COMPND    HMDB0010355
HETATM    1  C1  UNL     1      -5.454   1.131  -1.549  1.00  0.00           C  
HETATM    2  C2  UNL     1      -4.846   0.387  -0.327  1.00  0.00           C  
HETATM    3  C3  UNL     1      -5.641   0.893   0.838  1.00  0.00           C  
HETATM    4  C4  UNL     1      -7.121   0.587   0.690  1.00  0.00           C  
HETATM    5  C5  UNL     1      -7.388  -0.888   0.590  1.00  0.00           C  
HETATM    6  C6  UNL     1      -8.904  -1.045   0.446  1.00  0.00           C  
HETATM    7  C7  UNL     1      -9.214  -2.525   0.342  1.00  0.00           C  
HETATM    8  C8  UNL     1      -9.432  -0.343  -0.764  1.00  0.00           C  
HETATM    9  O1  UNL     1      -9.519  -0.587   1.630  1.00  0.00           O  
HETATM   10  C9  UNL     1      -3.405   0.721  -0.344  1.00  0.00           C  
HETATM   11  C10 UNL     1      -3.089   2.198  -0.207  1.00  0.00           C  
HETATM   12  C11 UNL     1      -2.287   2.220   1.083  1.00  0.00           C  
HETATM   13  C12 UNL     1      -1.426   0.972   1.026  1.00  0.00           C  
HETATM   14  C13 UNL     1      -0.292   1.128   0.024  1.00  0.00           C  
HETATM   15  C14 UNL     1       0.520   2.326   0.368  1.00  0.00           C  
HETATM   16  O2  UNL     1      -0.048   3.472  -0.247  1.00  0.00           O  
HETATM   17  C15 UNL     1       1.934   2.317  -0.027  1.00  0.00           C  
HETATM   18  C16 UNL     1       2.577   0.985  -0.284  1.00  0.00           C  
HETATM   19  C17 UNL     1       4.023   0.973   0.177  1.00  0.00           C  
HETATM   20  C18 UNL     1       4.678  -0.238  -0.445  1.00  0.00           C  
HETATM   21  O3  UNL     1       6.039  -0.305  -0.266  1.00  0.00           O  
HETATM   22  C19 UNL     1       6.750  -0.424  -1.440  1.00  0.00           C  
HETATM   23  O4  UNL     1       7.507  -1.544  -1.575  1.00  0.00           O  
HETATM   24  C20 UNL     1       8.416  -1.667  -0.547  1.00  0.00           C  
HETATM   25  C21 UNL     1       8.030  -2.665   0.482  1.00  0.00           C  
HETATM   26  O5  UNL     1       6.974  -3.302   0.345  1.00  0.00           O  
HETATM   27  O6  UNL     1       8.834  -2.879   1.570  1.00  0.00           O  
HETATM   28  C22 UNL     1       8.754  -0.355   0.079  1.00  0.00           C  
HETATM   29  O7  UNL     1      10.034  -0.476   0.649  1.00  0.00           O  
HETATM   30  C23 UNL     1       8.890   0.652  -1.060  1.00  0.00           C  
HETATM   31  O8  UNL     1       9.898   0.224  -1.923  1.00  0.00           O  
HETATM   32  C24 UNL     1       7.568   0.807  -1.781  1.00  0.00           C  
HETATM   33  O9  UNL     1       7.816   0.932  -3.134  1.00  0.00           O  
HETATM   34  C25 UNL     1       4.024  -1.448   0.190  1.00  0.00           C  
HETATM   35  C26 UNL     1       2.530  -1.424   0.039  1.00  0.00           C  
HETATM   36  C27 UNL     1       1.862  -0.147   0.411  1.00  0.00           C  
HETATM   37  C28 UNL     1       1.942   0.050   1.894  1.00  0.00           C  
HETATM   38  C29 UNL     1       0.451  -0.136  -0.135  1.00  0.00           C  
HETATM   39  C30 UNL     1      -0.394  -1.289   0.401  1.00  0.00           C  
HETATM   40  C31 UNL     1      -1.749  -1.122  -0.246  1.00  0.00           C  
HETATM   41  O10 UNL     1      -2.448  -2.313  -0.297  1.00  0.00           O  
HETATM   42  C32 UNL     1      -2.479  -0.037   0.524  1.00  0.00           C  
HETATM   43  C33 UNL     1      -3.058  -0.682   1.738  1.00  0.00           C  
HETATM   44  H1  UNL     1      -5.776   2.141  -1.265  1.00  0.00           H  
HETATM   45  H2  UNL     1      -6.286   0.559  -1.961  1.00  0.00           H  
HETATM   46  H3  UNL     1      -4.690   1.231  -2.342  1.00  0.00           H  
HETATM   47  H4  UNL     1      -4.985  -0.673  -0.540  1.00  0.00           H  
HETATM   48  H5  UNL     1      -5.355   0.507   1.824  1.00  0.00           H  
HETATM   49  H6  UNL     1      -5.550   1.999   0.916  1.00  0.00           H  
HETATM   50  H7  UNL     1      -7.530   1.153  -0.171  1.00  0.00           H  
HETATM   51  H8  UNL     1      -7.657   0.960   1.588  1.00  0.00           H  
HETATM   52  H9  UNL     1      -6.947  -1.367  -0.290  1.00  0.00           H  
HETATM   53  H10 UNL     1      -7.107  -1.363   1.545  1.00  0.00           H  
HETATM   54  H11 UNL     1      -8.679  -3.126   1.095  1.00  0.00           H  
HETATM   55  H12 UNL     1      -8.992  -2.827  -0.703  1.00  0.00           H  
HETATM   56  H13 UNL     1     -10.312  -2.668   0.521  1.00  0.00           H  
HETATM   57  H14 UNL     1     -10.040   0.567  -0.481  1.00  0.00           H  
HETATM   58  H15 UNL     1      -8.647   0.028  -1.456  1.00  0.00           H  
HETATM   59  H16 UNL     1     -10.071  -1.034  -1.362  1.00  0.00           H  
HETATM   60  H17 UNL     1      -9.170  -1.165   2.366  1.00  0.00           H  
HETATM   61  H18 UNL     1      -3.067   0.480  -1.419  1.00  0.00           H  
HETATM   62  H19 UNL     1      -2.513   2.600  -1.060  1.00  0.00           H  
HETATM   63  H20 UNL     1      -4.033   2.757  -0.153  1.00  0.00           H  
HETATM   64  H21 UNL     1      -3.021   2.052   1.899  1.00  0.00           H  
HETATM   65  H22 UNL     1      -1.761   3.141   1.286  1.00  0.00           H  
HETATM   66  H23 UNL     1      -1.108   0.737   2.037  1.00  0.00           H  
HETATM   67  H24 UNL     1      -0.823   1.360  -0.949  1.00  0.00           H  
HETATM   68  H25 UNL     1       0.414   2.522   1.463  1.00  0.00           H  
HETATM   69  H26 UNL     1      -0.102   3.372  -1.213  1.00  0.00           H  
HETATM   70  H27 UNL     1       2.559   2.804   0.783  1.00  0.00           H  
HETATM   71  H28 UNL     1       2.156   2.952  -0.930  1.00  0.00           H  
HETATM   72  H29 UNL     1       2.551   0.792  -1.376  1.00  0.00           H  
HETATM   73  H30 UNL     1       4.070   0.807   1.291  1.00  0.00           H  
HETATM   74  H31 UNL     1       4.539   1.912  -0.049  1.00  0.00           H  
HETATM   75  H32 UNL     1       4.382  -0.281  -1.523  1.00  0.00           H  
HETATM   76  H33 UNL     1       5.962  -0.457  -2.258  1.00  0.00           H  
HETATM   77  H34 UNL     1       9.392  -2.047  -0.995  1.00  0.00           H  
HETATM   78  H35 UNL     1       9.011  -2.105   2.229  1.00  0.00           H  
HETATM   79  H36 UNL     1       8.059  -0.009   0.852  1.00  0.00           H  
HETATM   80  H37 UNL     1      10.744  -0.234   0.016  1.00  0.00           H  
HETATM   81  H38 UNL     1       9.154   1.620  -0.606  1.00  0.00           H  
HETATM   82  H39 UNL     1       9.620   0.228  -2.871  1.00  0.00           H  
HETATM   83  H40 UNL     1       7.096   1.732  -1.441  1.00  0.00           H  
HETATM   84  H41 UNL     1       7.142   0.444  -3.675  1.00  0.00           H  
HETATM   85  H42 UNL     1       4.462  -2.395  -0.215  1.00  0.00           H  
HETATM   86  H43 UNL     1       4.260  -1.442   1.272  1.00  0.00           H  
HETATM   87  H44 UNL     1       2.142  -2.262   0.690  1.00  0.00           H  
HETATM   88  H45 UNL     1       2.316  -1.758  -0.997  1.00  0.00           H  
HETATM   89  H46 UNL     1       1.053  -0.189   2.466  1.00  0.00           H  
HETATM   90  H47 UNL     1       2.222   1.110   2.163  1.00  0.00           H  
HETATM   91  H48 UNL     1       2.765  -0.563   2.318  1.00  0.00           H  
HETATM   92  H49 UNL     1       0.573  -0.371  -1.236  1.00  0.00           H  
HETATM   93  H50 UNL     1      -0.003  -2.268   0.051  1.00  0.00           H  
HETATM   94  H51 UNL     1      -0.388  -1.226   1.484  1.00  0.00           H  
HETATM   95  H52 UNL     1      -1.599  -0.718  -1.288  1.00  0.00           H  
HETATM   96  H53 UNL     1      -2.891  -2.420  -1.190  1.00  0.00           H  
HETATM   97  H54 UNL     1      -3.932  -1.329   1.554  1.00  0.00           H  
HETATM   98  H55 UNL     1      -3.190   0.014   2.591  1.00  0.00           H  
HETATM   99  H56 UNL     1      -2.278  -1.415   2.125  1.00  0.00           H  
CONECT    1    2   44   45   46
CONECT    2    3   10   47
CONECT    3    4   48   49
CONECT    4    5   50   51
CONECT    5    6   52   53
CONECT    6    7    8    9
CONECT    7   54   55   56
CONECT    8   57   58   59
CONECT    9   60
CONECT   10   11   42   61
CONECT   11   12   62   63
CONECT   12   13   64   65
CONECT   13   14   42   66
CONECT   14   15   38   67
CONECT   15   16   17   68
CONECT   16   69
CONECT   17   18   70   71
CONECT   18   19   36   72
CONECT   19   20   73   74
CONECT   20   21   34   75
CONECT   21   22
CONECT   22   23   32   76
CONECT   23   24
CONECT   24   25   28   77
CONECT   25   26   26   27
CONECT   27   78
CONECT   28   29   30   79
CONECT   29   80
CONECT   30   31   32   81
CONECT   31   82
CONECT   32   33   83
CONECT   33   84
CONECT   34   35   85   86
CONECT   35   36   87   88
CONECT   36   37   38
CONECT   37   89   90   91
CONECT   38   39   92
CONECT   39   40   93   94
CONECT   40   41   42   95
CONECT   41   96
CONECT   42   43
CONECT   43   97   98   99
END
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SMILES for HMDB0010355 (Cholestane-3,7,12,25-tetrol-3-glucuronide)

[H][C@@]1(CCC2C3C(O)CC4CC(CC[C@]4(C)C3C[C@@H](O)[C@]12C)O[C@@H]1O[C@@H]([C@@H](O)[C@@H](O)[C@H]1O)C(O)=O)[C@H](C)CCCC(C)(C)O
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INCHI for HMDB0010355 (Cholestane-3,7,12,25-tetrol-3-glucuronide)

InChI=1S/C33H56O10/c1-16(7-6-11-31(2,3)41)19-8-9-20-24-21(15-23(35)33(19,20)5)32(4)12-10-18(13-17(32)14-22(24)34)42-30-27(38)25(36)26(37)28(43-30)29(39)40/h16-28,30,34-38,41H,6-15H2,1-5H3,(H,39,40)/t16-,17?,18?,19-,20?,21?,22?,23-,24?,25-,26+,27-,28+,30-,32+,33-/m1/s1
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Synonyms
ValueSource
(3alpha,5beta,7alpha,12alpha)-7,12,25-Trihydroxycholestan-3-yl-beta-D-glucopyranosiduronic acidHMDB
(3alpha,5beta,7alpha,12alpha)-7,12,25-Trihydroxycholestan-3-yl-beta-delta-glucopyranosiduronic acidHMDB
5beta-Cholestane 3alpha,7alpha,12alpha,25-tetrol-3alpha-glucuronideHMDB
5beta-Cholestane 3alpha,7alpha,12alpha,25-tetrol-3alpha-glucuronosideHMDB
Cholestane-3,7,12,25-tetrol-3-glucuronosideHMDB
5-CTGUHMDB
5 beta-Cholestane 3 alpha,7 alpha,12 alpha,25-tetrol-3 alpha-glucuronideHMDB
Chemical FormulaC33H56O10
Average Molecular Weight612.7917
Monoisotopic Molecular Weight612.387348012
IUPAC Name(2S,3S,4R,5R,6R)-6-{[(2S,14R,15R,16R)-9,16-dihydroxy-14-[(2R)-6-hydroxy-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
Traditional Name(2S,3S,4R,5R,6R)-6-{[(2S,14R,15R,16R)-9,16-dihydroxy-14-[(2R)-6-hydroxy-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
CAS Registry Number77172-80-6
SMILES
[H][C@@]1(CCC2C3C(O)CC4CC(CC[C@]4(C)C3C[C@@H](O)[C@]12C)O[C@@H]1O[C@@H]([C@@H](O)[C@@H](O)[C@H]1O)C(O)=O)[C@H](C)CCCC(C)(C)O
InChI Identifier
InChI=1S/C33H56O10/c1-16(7-6-11-31(2,3)41)19-8-9-20-24-21(15-23(35)33(19,20)5)32(4)12-10-18(13-17(32)14-22(24)34)42-30-27(38)25(36)26(37)28(43-30)29(39)40/h16-28,30,34-38,41H,6-15H2,1-5H3,(H,39,40)/t16-,17?,18?,19-,20?,21?,22?,23-,24?,25-,26+,27-,28+,30-,32+,33-/m1/s1
InChI KeyFHOADKVSESICIH-YQDZQFSMSA-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.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassSteroids and steroid derivatives
Sub ClassSteroidal glycosides
Direct ParentSteroid glucuronide conjugates
Alternative Parents
Substituents
  • Diterpene glycoside
  • Steroid-glucuronide-skeleton
  • Cholesterol
  • Cholestane-skeleton
  • 25-hydroxysteroid
  • Diterpenoid
  • Hydroxysteroid
  • 7-hydroxysteroid
  • 12-hydroxysteroid
  • Terpene glycoside
  • 1-o-glucuronide
  • O-glucuronide
  • Glucuronic acid or derivatives
  • Glycosyl compound
  • O-glycosyl compound
  • Beta-hydroxy acid
  • Monosaccharide
  • Hydroxy acid
  • Pyran
  • Oxane
  • Cyclic alcohol
  • Tertiary alcohol
  • Secondary alcohol
  • Polyol
  • Organoheterocyclic compound
  • Acetal
  • Oxacycle
  • Carboxylic acid
  • Carboxylic acid derivative
  • Monocarboxylic acid or derivatives
  • Alcohol
  • Organic oxide
  • Organic oxygen compound
  • Carbonyl group
  • Hydrocarbon derivative
  • Organooxygen compound
  • Aliphatic heteropolycyclic compound
Molecular FrameworkAliphatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological locationRoute of exposureSource
Process
Naturally occurring process
Role
Biological roleIndustrial application
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.094 g/LALOGPS
logP2.03ALOGPS
logP2.06ChemAxon
logS-3.8ALOGPS
pKa (Strongest Acidic)3.47ChemAxon
pKa (Strongest Basic)-0.15ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count10ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area177.14 ŲChemAxon
Rotatable Bond Count8ChemAxon
Refractivity156.99 m³·mol⁻¹ChemAxon
Polarizability69.44 ųChemAxon
Number of Rings5ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M-2H]-260.17330932474
DeepCCS[M+Na]+233.94930932474
AllCCS[M+H]+241.932859911
AllCCS[M+H-H2O]+241.232859911
AllCCS[M+NH4]+242.632859911
AllCCS[M+Na]+242.832859911
AllCCS[M-H]-227.232859911
AllCCS[M+Na-2H]-231.332859911
AllCCS[M+HCOO]-236.032859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Cholestane-3,7,12,25-tetrol-3-glucuronide[H][C@@]1(CCC2C3C(O)CC4CC(CC[C@]4(C)C3C[C@@H](O)[C@]12C)O[C@@H]1O[C@@H]([C@@H](O)[C@@H](O)[C@H]1O)C(O)=O)[C@H](C)CCCC(C)(C)O3521.8Standard polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide[H][C@@]1(CCC2C3C(O)CC4CC(CC[C@]4(C)C3C[C@@H](O)[C@]12C)O[C@@H]1O[C@@H]([C@@H](O)[C@@H](O)[C@H]1O)C(O)=O)[C@H](C)CCCC(C)(C)O4500.8Standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide[H][C@@]1(CCC2C3C(O)CC4CC(CC[C@]4(C)C3C[C@@H](O)[C@]12C)O[C@@H]1O[C@@H]([C@@H](O)[C@@H](O)[C@H]1O)C(O)=O)[C@H](C)CCCC(C)(C)O4835.3Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Cholestane-3,7,12,25-tetrol-3-glucuronide,1TMS,isomer #1C[C@H](CCCC(C)(C)O)[C@H]1CCC2C3C(O[Si](C)(C)C)CC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]5O)CC[C@]4(C)C3C[C@@H](O)[C@@]21C4600.5Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,1TMS,isomer #2C[C@H](CCCC(C)(C)O)[C@H]1CCC2C3C(O)CC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]5O)CC[C@]4(C)C3C[C@@H](O[Si](C)(C)C)[C@@]21C4594.0Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,1TMS,isomer #3C[C@H](CCCC(C)(C)O)[C@H]1CCC2C3C(O)CC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]5O)CC[C@]4(C)C3C[C@@H](O)[C@@]21C4677.1Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,1TMS,isomer #4C[C@H](CCCC(C)(C)O)[C@H]1CCC2C3C(O)CC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]5O)CC[C@]4(C)C3C[C@@H](O)[C@@]21C4677.2Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,1TMS,isomer #5C[C@H](CCCC(C)(C)O)[C@H]1CCC2C3C(O)CC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]5O[Si](C)(C)C)CC[C@]4(C)C3C[C@@H](O)[C@@]21C4689.1Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,1TMS,isomer #6C[C@H](CCCC(C)(C)O)[C@H]1CCC2C3C(O)CC4CC(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@H]5O)CC[C@]4(C)C3C[C@@H](O)[C@@]21C4669.8Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,1TMS,isomer #7C[C@H](CCCC(C)(C)O[Si](C)(C)C)[C@H]1CCC2C3C(O)CC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]5O)CC[C@]4(C)C3C[C@@H](O)[C@@]21C4846.9Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,2TMS,isomer #1C[C@H](CCCC(C)(C)O[Si](C)(C)C)[C@H]1CCC2C3C(O[Si](C)(C)C)CC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]5O)CC[C@]4(C)C3C[C@@H](O)[C@@]21C4663.8Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,2TMS,isomer #10C[C@H](CCCC(C)(C)O)[C@H]1CCC2C3C(O)CC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]5O)CC[C@]4(C)C3C[C@@H](O[Si](C)(C)C)[C@@]21C4473.2Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,2TMS,isomer #11C[C@H](CCCC(C)(C)O)[C@H]1CCC2C3C(O)CC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]5O[Si](C)(C)C)CC[C@]4(C)C3C[C@@H](O[Si](C)(C)C)[C@@]21C4488.4Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,2TMS,isomer #12C[C@H](CCCC(C)(C)O[Si](C)(C)C)[C@H]1CCC2C3C(O)CC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]5O)CC[C@]4(C)C3C[C@@H](O)[C@@]21C4731.5Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,2TMS,isomer #13C[C@H](CCCC(C)(C)O)[C@H]1CCC2C3C(O)CC4CC(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]5O)CC[C@]4(C)C3C[C@@H](O)[C@@]21C4569.4Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,2TMS,isomer #14C[C@H](CCCC(C)(C)O)[C@H]1CCC2C3C(O)CC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]5O)CC[C@]4(C)C3C[C@@H](O)[C@@]21C4570.3Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,2TMS,isomer #15C[C@H](CCCC(C)(C)O)[C@H]1CCC2C3C(O)CC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]5O[Si](C)(C)C)CC[C@]4(C)C3C[C@@H](O)[C@@]21C4579.0Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,2TMS,isomer #16C[C@H](CCCC(C)(C)O[Si](C)(C)C)[C@H]1CCC2C3C(O)CC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]5O)CC[C@]4(C)C3C[C@@H](O)[C@@]21C4731.8Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,2TMS,isomer #17C[C@H](CCCC(C)(C)O)[C@H]1CCC2C3C(O)CC4CC(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]5O)CC[C@]4(C)C3C[C@@H](O)[C@@]21C4548.6Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,2TMS,isomer #18C[C@H](CCCC(C)(C)O)[C@H]1CCC2C3C(O)CC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]5O[Si](C)(C)C)CC[C@]4(C)C3C[C@@H](O)[C@@]21C4583.6Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,2TMS,isomer #19C[C@H](CCCC(C)(C)O[Si](C)(C)C)[C@H]1CCC2C3C(O)CC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]5O[Si](C)(C)C)CC[C@]4(C)C3C[C@@H](O)[C@@]21C4752.0Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,2TMS,isomer #2C[C@H](CCCC(C)(C)O)[C@H]1CCC2C3C(O[Si](C)(C)C)CC4CC(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@H]5O)CC[C@]4(C)C3C[C@@H](O)[C@@]21C4466.6Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,2TMS,isomer #20C[C@H](CCCC(C)(C)O)[C@H]1CCC2C3C(O)CC4CC(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@H]5O[Si](C)(C)C)CC[C@]4(C)C3C[C@@H](O)[C@@]21C4573.8Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,2TMS,isomer #21C[C@H](CCCC(C)(C)O[Si](C)(C)C)[C@H]1CCC2C3C(O)CC4CC(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@H]5O)CC[C@]4(C)C3C[C@@H](O)[C@@]21C4718.7Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,2TMS,isomer #3C[C@H](CCCC(C)(C)O)[C@H]1CCC2C3C(O[Si](C)(C)C)CC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]5O)CC[C@]4(C)C3C[C@@H](O)[C@@]21C4455.4Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,2TMS,isomer #4C[C@H](CCCC(C)(C)O)[C@H]1CCC2C3C(O[Si](C)(C)C)CC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]5O)CC[C@]4(C)C3C[C@@H](O)[C@@]21C4462.4Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,2TMS,isomer #5C[C@H](CCCC(C)(C)O)[C@H]1CCC2C3C(O[Si](C)(C)C)CC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]5O[Si](C)(C)C)CC[C@]4(C)C3C[C@@H](O)[C@@]21C4472.5Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,2TMS,isomer #6C[C@H](CCCC(C)(C)O)[C@H]1CCC2C3C(O[Si](C)(C)C)CC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]5O)CC[C@]4(C)C3C[C@@H](O[Si](C)(C)C)[C@@]21C4434.7Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,2TMS,isomer #7C[C@H](CCCC(C)(C)O[Si](C)(C)C)[C@H]1CCC2C3C(O)CC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]5O)CC[C@]4(C)C3C[C@@H](O[Si](C)(C)C)[C@@]21C4656.8Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,2TMS,isomer #8C[C@H](CCCC(C)(C)O)[C@H]1CCC2C3C(O)CC4CC(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@H]5O)CC[C@]4(C)C3C[C@@H](O[Si](C)(C)C)[C@@]21C4472.1Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,2TMS,isomer #9C[C@H](CCCC(C)(C)O)[C@H]1CCC2C3C(O)CC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]5O)CC[C@]4(C)C3C[C@@H](O[Si](C)(C)C)[C@@]21C4475.4Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,3TMS,isomer #1C[C@H](CCCC(C)(C)O[Si](C)(C)C)[C@H]1CCC2C3C(O[Si](C)(C)C)CC4CC(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@H]5O)CC[C@]4(C)C3C[C@@H](O)[C@@]21C4517.7Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,3TMS,isomer #10C[C@H](CCCC(C)(C)O)[C@H]1CCC2C3C(O[Si](C)(C)C)CC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]5O)CC[C@]4(C)C3C[C@@H](O)[C@@]21C4352.3Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,3TMS,isomer #11C[C@H](CCCC(C)(C)O)[C@H]1CCC2C3C(O[Si](C)(C)C)CC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]5O[Si](C)(C)C)CC[C@]4(C)C3C[C@@H](O)[C@@]21C4361.6Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,3TMS,isomer #12C[C@H](CCCC(C)(C)O)[C@H]1CCC2C3C(O[Si](C)(C)C)CC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]5O)CC[C@]4(C)C3C[C@@H](O[Si](C)(C)C)[C@@]21C4326.7Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,3TMS,isomer #13C[C@H](CCCC(C)(C)O)[C@H]1CCC2C3C(O[Si](C)(C)C)CC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]5O[Si](C)(C)C)CC[C@]4(C)C3C[C@@H](O)[C@@]21C4367.1Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,3TMS,isomer #14C[C@H](CCCC(C)(C)O)[C@H]1CCC2C3C(O[Si](C)(C)C)CC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]5O)CC[C@]4(C)C3C[C@@H](O[Si](C)(C)C)[C@@]21C4322.1Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,3TMS,isomer #15C[C@H](CCCC(C)(C)O)[C@H]1CCC2C3C(O[Si](C)(C)C)CC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]5O[Si](C)(C)C)CC[C@]4(C)C3C[C@@H](O[Si](C)(C)C)[C@@]21C4324.7Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,3TMS,isomer #16C[C@H](CCCC(C)(C)O[Si](C)(C)C)[C@H]1CCC2C3C(O)CC4CC(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@H]5O)CC[C@]4(C)C3C[C@@H](O[Si](C)(C)C)[C@@]21C4531.9Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,3TMS,isomer #17C[C@H](CCCC(C)(C)O[Si](C)(C)C)[C@H]1CCC2C3C(O)CC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]5O)CC[C@]4(C)C3C[C@@H](O[Si](C)(C)C)[C@@]21C4542.3Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,3TMS,isomer #18C[C@H](CCCC(C)(C)O[Si](C)(C)C)[C@H]1CCC2C3C(O)CC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]5O)CC[C@]4(C)C3C[C@@H](O[Si](C)(C)C)[C@@]21C4538.3Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,3TMS,isomer #19C[C@H](CCCC(C)(C)O[Si](C)(C)C)[C@H]1CCC2C3C(O)CC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]5O[Si](C)(C)C)CC[C@]4(C)C3C[C@@H](O[Si](C)(C)C)[C@@]21C4545.6Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,3TMS,isomer #2C[C@H](CCCC(C)(C)O[Si](C)(C)C)[C@H]1CCC2C3C(O[Si](C)(C)C)CC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]5O)CC[C@]4(C)C3C[C@@H](O)[C@@]21C4525.2Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,3TMS,isomer #20C[C@H](CCCC(C)(C)O)[C@H]1CCC2C3C(O)CC4CC(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]5O)CC[C@]4(C)C3C[C@@H](O[Si](C)(C)C)[C@@]21C4376.5Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,3TMS,isomer #21C[C@H](CCCC(C)(C)O)[C@H]1CCC2C3C(O)CC4CC(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]5O)CC[C@]4(C)C3C[C@@H](O[Si](C)(C)C)[C@@]21C4362.9Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,3TMS,isomer #22C[C@H](CCCC(C)(C)O)[C@H]1CCC2C3C(O)CC4CC(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@H]5O[Si](C)(C)C)CC[C@]4(C)C3C[C@@H](O[Si](C)(C)C)[C@@]21C4377.9Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,3TMS,isomer #23C[C@H](CCCC(C)(C)O)[C@H]1CCC2C3C(O)CC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]5O)CC[C@]4(C)C3C[C@@H](O[Si](C)(C)C)[C@@]21C4375.4Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,3TMS,isomer #24C[C@H](CCCC(C)(C)O)[C@H]1CCC2C3C(O)CC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]5O[Si](C)(C)C)CC[C@]4(C)C3C[C@@H](O[Si](C)(C)C)[C@@]21C4384.5Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,3TMS,isomer #25C[C@H](CCCC(C)(C)O)[C@H]1CCC2C3C(O)CC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]5O[Si](C)(C)C)CC[C@]4(C)C3C[C@@H](O[Si](C)(C)C)[C@@]21C4387.9Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,3TMS,isomer #26C[C@H](CCCC(C)(C)O[Si](C)(C)C)[C@H]1CCC2C3C(O)CC4CC(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]5O)CC[C@]4(C)C3C[C@@H](O)[C@@]21C4628.9Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,3TMS,isomer #27C[C@H](CCCC(C)(C)O[Si](C)(C)C)[C@H]1CCC2C3C(O)CC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]5O)CC[C@]4(C)C3C[C@@H](O)[C@@]21C4630.3Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,3TMS,isomer #28C[C@H](CCCC(C)(C)O[Si](C)(C)C)[C@H]1CCC2C3C(O)CC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]5O[Si](C)(C)C)CC[C@]4(C)C3C[C@@H](O)[C@@]21C4637.8Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,3TMS,isomer #29C[C@H](CCCC(C)(C)O)[C@H]1CCC2C3C(O)CC4CC(O[C@@H]5O[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]5O)CC[C@]4(C)C3C[C@@H](O)[C@@]21C4460.8Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,3TMS,isomer #3C[C@H](CCCC(C)(C)O[Si](C)(C)C)[C@H]1CCC2C3C(O[Si](C)(C)C)CC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]5O)CC[C@]4(C)C3C[C@@H](O)[C@@]21C4526.1Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,3TMS,isomer #30C[C@H](CCCC(C)(C)O)[C@H]1CCC2C3C(O)CC4CC(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]5O[Si](C)(C)C)CC[C@]4(C)C3C[C@@H](O)[C@@]21C4477.2Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,3TMS,isomer #31C[C@H](CCCC(C)(C)O)[C@H]1CCC2C3C(O)CC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]5O[Si](C)(C)C)CC[C@]4(C)C3C[C@@H](O)[C@@]21C4495.0Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,3TMS,isomer #32C[C@H](CCCC(C)(C)O[Si](C)(C)C)[C@H]1CCC2C3C(O)CC4CC(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]5O)CC[C@]4(C)C3C[C@@H](O)[C@@]21C4605.8Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,3TMS,isomer #33C[C@H](CCCC(C)(C)O[Si](C)(C)C)[C@H]1CCC2C3C(O)CC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]5O[Si](C)(C)C)CC[C@]4(C)C3C[C@@H](O)[C@@]21C4645.7Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,3TMS,isomer #34C[C@H](CCCC(C)(C)O)[C@H]1CCC2C3C(O)CC4CC(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]5O[Si](C)(C)C)CC[C@]4(C)C3C[C@@H](O)[C@@]21C4474.8Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,3TMS,isomer #35C[C@H](CCCC(C)(C)O[Si](C)(C)C)[C@H]1CCC2C3C(O)CC4CC(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@H]5O[Si](C)(C)C)CC[C@]4(C)C3C[C@@H](O)[C@@]21C4635.3Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,3TMS,isomer #4C[C@H](CCCC(C)(C)O[Si](C)(C)C)[C@H]1CCC2C3C(O[Si](C)(C)C)CC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]5O[Si](C)(C)C)CC[C@]4(C)C3C[C@@H](O)[C@@]21C4533.7Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,3TMS,isomer #5C[C@H](CCCC(C)(C)O[Si](C)(C)C)[C@H]1CCC2C3C(O[Si](C)(C)C)CC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]5O)CC[C@]4(C)C3C[C@@H](O[Si](C)(C)C)[C@@]21C4504.7Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,3TMS,isomer #6C[C@H](CCCC(C)(C)O)[C@H]1CCC2C3C(O[Si](C)(C)C)CC4CC(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]5O)CC[C@]4(C)C3C[C@@H](O)[C@@]21C4354.2Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,3TMS,isomer #7C[C@H](CCCC(C)(C)O)[C@H]1CCC2C3C(O[Si](C)(C)C)CC4CC(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]5O)CC[C@]4(C)C3C[C@@H](O)[C@@]21C4341.3Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,3TMS,isomer #8C[C@H](CCCC(C)(C)O)[C@H]1CCC2C3C(O[Si](C)(C)C)CC4CC(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@H]5O[Si](C)(C)C)CC[C@]4(C)C3C[C@@H](O)[C@@]21C4351.6Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,3TMS,isomer #9C[C@H](CCCC(C)(C)O)[C@H]1CCC2C3C(O[Si](C)(C)C)CC4CC(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@H]5O)CC[C@]4(C)C3C[C@@H](O[Si](C)(C)C)[C@@]21C4322.0Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,1TBDMS,isomer #1C[C@H](CCCC(C)(C)O)[C@H]1CCC2C3C(O[Si](C)(C)C(C)(C)C)CC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]5O)CC[C@]4(C)C3C[C@@H](O)[C@@]21C4840.6Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,1TBDMS,isomer #2C[C@H](CCCC(C)(C)O)[C@H]1CCC2C3C(O)CC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]5O)CC[C@]4(C)C3C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@]21C4820.4Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,1TBDMS,isomer #3C[C@H](CCCC(C)(C)O)[C@H]1CCC2C3C(O)CC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]5O)CC[C@]4(C)C3C[C@@H](O)[C@@]21C4903.3Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,1TBDMS,isomer #4C[C@H](CCCC(C)(C)O)[C@H]1CCC2C3C(O)CC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]5O)CC[C@]4(C)C3C[C@@H](O)[C@@]21C4913.4Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,1TBDMS,isomer #5C[C@H](CCCC(C)(C)O)[C@H]1CCC2C3C(O)CC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]5O[Si](C)(C)C(C)(C)C)CC[C@]4(C)C3C[C@@H](O)[C@@]21C4925.5Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,1TBDMS,isomer #6C[C@H](CCCC(C)(C)O)[C@H]1CCC2C3C(O)CC4CC(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O)[C@H]5O)CC[C@]4(C)C3C[C@@H](O)[C@@]21C4919.9Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,1TBDMS,isomer #7C[C@H](CCCC(C)(C)O[Si](C)(C)C(C)(C)C)[C@H]1CCC2C3C(O)CC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]5O)CC[C@]4(C)C3C[C@@H](O)[C@@]21C5072.8Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,2TBDMS,isomer #1C[C@H](CCCC(C)(C)O[Si](C)(C)C(C)(C)C)[C@H]1CCC2C3C(O[Si](C)(C)C(C)(C)C)CC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]5O)CC[C@]4(C)C3C[C@@H](O)[C@@]21C5118.9Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,2TBDMS,isomer #10C[C@H](CCCC(C)(C)O)[C@H]1CCC2C3C(O)CC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]5O)CC[C@]4(C)C3C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@]21C4931.5Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,2TBDMS,isomer #11C[C@H](CCCC(C)(C)O)[C@H]1CCC2C3C(O)CC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]5O[Si](C)(C)C(C)(C)C)CC[C@]4(C)C3C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@]21C4959.2Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,2TBDMS,isomer #12C[C@H](CCCC(C)(C)O[Si](C)(C)C(C)(C)C)[C@H]1CCC2C3C(O)CC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]5O)CC[C@]4(C)C3C[C@@H](O)[C@@]21C5167.6Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,2TBDMS,isomer #13C[C@H](CCCC(C)(C)O)[C@H]1CCC2C3C(O)CC4CC(O[C@@H]5O[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]5O)CC[C@]4(C)C3C[C@@H](O)[C@@]21C5053.6Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,2TBDMS,isomer #14C[C@H](CCCC(C)(C)O)[C@H]1CCC2C3C(O)CC4CC(O[C@@H]5O[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]5O)CC[C@]4(C)C3C[C@@H](O)[C@@]21C5033.9Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,2TBDMS,isomer #15C[C@H](CCCC(C)(C)O)[C@H]1CCC2C3C(O)CC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]5O[Si](C)(C)C(C)(C)C)CC[C@]4(C)C3C[C@@H](O)[C@@]21C5051.4Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,2TBDMS,isomer #16C[C@H](CCCC(C)(C)O[Si](C)(C)C(C)(C)C)[C@H]1CCC2C3C(O)CC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]5O)CC[C@]4(C)C3C[C@@H](O)[C@@]21C5171.8Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,2TBDMS,isomer #17C[C@H](CCCC(C)(C)O)[C@H]1CCC2C3C(O)CC4CC(O[C@@H]5O[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]5O)CC[C@]4(C)C3C[C@@H](O)[C@@]21C5034.0Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,2TBDMS,isomer #18C[C@H](CCCC(C)(C)O)[C@H]1CCC2C3C(O)CC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]5O[Si](C)(C)C(C)(C)C)CC[C@]4(C)C3C[C@@H](O)[C@@]21C5051.2Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,2TBDMS,isomer #19C[C@H](CCCC(C)(C)O[Si](C)(C)C(C)(C)C)[C@H]1CCC2C3C(O)CC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]5O[Si](C)(C)C(C)(C)C)CC[C@]4(C)C3C[C@@H](O)[C@@]21C5196.5Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,2TBDMS,isomer #2C[C@H](CCCC(C)(C)O)[C@H]1CCC2C3C(O[Si](C)(C)C(C)(C)C)CC4CC(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O)[C@H]5O)CC[C@]4(C)C3C[C@@H](O)[C@@]21C4948.9Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,2TBDMS,isomer #20C[C@H](CCCC(C)(C)O)[C@H]1CCC2C3C(O)CC4CC(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O)[C@H]5O[Si](C)(C)C(C)(C)C)CC[C@]4(C)C3C[C@@H](O)[C@@]21C5066.8Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,2TBDMS,isomer #21C[C@H](CCCC(C)(C)O[Si](C)(C)C(C)(C)C)[C@H]1CCC2C3C(O)CC4CC(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O)[C@H]5O)CC[C@]4(C)C3C[C@@H](O)[C@@]21C5176.4Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,2TBDMS,isomer #3C[C@H](CCCC(C)(C)O)[C@H]1CCC2C3C(O[Si](C)(C)C(C)(C)C)CC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]5O)CC[C@]4(C)C3C[C@@H](O)[C@@]21C4926.7Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,2TBDMS,isomer #4C[C@H](CCCC(C)(C)O)[C@H]1CCC2C3C(O[Si](C)(C)C(C)(C)C)CC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]5O)CC[C@]4(C)C3C[C@@H](O)[C@@]21C4927.7Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,2TBDMS,isomer #5C[C@H](CCCC(C)(C)O)[C@H]1CCC2C3C(O[Si](C)(C)C(C)(C)C)CC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]5O[Si](C)(C)C(C)(C)C)CC[C@]4(C)C3C[C@@H](O)[C@@]21C4953.9Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,2TBDMS,isomer #6C[C@H](CCCC(C)(C)O)[C@H]1CCC2C3C(O[Si](C)(C)C(C)(C)C)CC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]5O)CC[C@]4(C)C3C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@]21C4902.5Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,2TBDMS,isomer #7C[C@H](CCCC(C)(C)O[Si](C)(C)C(C)(C)C)[C@H]1CCC2C3C(O)CC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]5O)CC[C@]4(C)C3C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@]21C5095.2Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,2TBDMS,isomer #8C[C@H](CCCC(C)(C)O)[C@H]1CCC2C3C(O)CC4CC(O[C@@H]5O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O)[C@H]5O)CC[C@]4(C)C3C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@]21C4951.5Semi standard non polar33892256
Cholestane-3,7,12,25-tetrol-3-glucuronide,2TBDMS,isomer #9C[C@H](CCCC(C)(C)O)[C@H]1CCC2C3C(O)CC4CC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]5O)CC[C@]4(C)C3C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@]21C4935.4Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Cholestane-3,7,12,25-tetrol-3-glucuronide GC-MS (Non-derivatized) - 70eV, Positivesplash10-00kk-4032190000-332bb02f3770878466cf2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cholestane-3,7,12,25-tetrol-3-glucuronide GC-MS (1 TMS) - 70eV, Positivesplash10-014i-4243219000-81ae19dbda62ae0d43292017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cholestane-3,7,12,25-tetrol-3-glucuronide GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cholestane-3,7,12,25-tetrol-3-glucuronide GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cholestane-3,7,12,25-tetrol-3-glucuronide GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cholestane-3,7,12,25-tetrol-3-glucuronide GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cholestane-3,7,12,25-tetrol-3-glucuronide GC-MS (TMS_1_6) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cholestane-3,7,12,25-tetrol-3-glucuronide GC-MS (TMS_1_7) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cholestane-3,7,12,25-tetrol-3-glucuronide GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cholestane-3,7,12,25-tetrol-3-glucuronide GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cholestane-3,7,12,25-tetrol-3-glucuronide GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cholestane-3,7,12,25-tetrol-3-glucuronide GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cholestane-3,7,12,25-tetrol-3-glucuronide GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cholestane-3,7,12,25-tetrol-3-glucuronide GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cholestane-3,7,12,25-tetrol-3-glucuronide GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cholestane-3,7,12,25-tetrol-3-glucuronide GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cholestane-3,7,12,25-tetrol-3-glucuronide GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cholestane-3,7,12,25-tetrol-3-glucuronide GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cholestane-3,7,12,25-tetrol-3-glucuronide GC-MS (TMS_2_11) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cholestane-3,7,12,25-tetrol-3-glucuronide GC-MS (TMS_2_12) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cholestane-3,7,12,25-tetrol-3-glucuronide GC-MS (TMS_2_13) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cholestane-3,7,12,25-tetrol-3-glucuronide GC-MS (TMS_2_14) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cholestane-3,7,12,25-tetrol-3-glucuronide GC-MS (TMS_2_15) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cholestane-3,7,12,25-tetrol-3-glucuronide GC-MS (TMS_2_16) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cholestane-3,7,12,25-tetrol-3-glucuronide GC-MS (TMS_2_17) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cholestane-3,7,12,25-tetrol-3-glucuronide 10V, Positive-QTOFsplash10-00os-0000690000-ba11905a46be8471870e2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cholestane-3,7,12,25-tetrol-3-glucuronide 20V, Positive-QTOFsplash10-014i-0001920000-c39e04a3540df4cbe2602016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cholestane-3,7,12,25-tetrol-3-glucuronide 40V, Positive-QTOFsplash10-014i-1206910000-88201d8c823a37f42f552016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cholestane-3,7,12,25-tetrol-3-glucuronide 10V, Negative-QTOFsplash10-02t9-1200985000-9f9a56f8fbd1fbf67e312016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cholestane-3,7,12,25-tetrol-3-glucuronide 20V, Negative-QTOFsplash10-014r-1200930000-8ad96c22f50f1ef87eab2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cholestane-3,7,12,25-tetrol-3-glucuronide 40V, Negative-QTOFsplash10-014r-3100900000-eba30a69b7fc4f2541bd2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cholestane-3,7,12,25-tetrol-3-glucuronide 10V, Negative-QTOFsplash10-03di-0000029000-cfb525d26a7f75aad09b2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cholestane-3,7,12,25-tetrol-3-glucuronide 20V, Negative-QTOFsplash10-03di-8300597000-597f72f0bd05f1e07bd72021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cholestane-3,7,12,25-tetrol-3-glucuronide 40V, Negative-QTOFsplash10-0a4i-9100221000-392683f388986f7aeb742021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cholestane-3,7,12,25-tetrol-3-glucuronide 10V, Positive-QTOFsplash10-002b-0000190000-3189fa28f3099dbb5aad2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cholestane-3,7,12,25-tetrol-3-glucuronide 20V, Positive-QTOFsplash10-0wmi-7442932000-4712b74c5c29a0bd2e852021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cholestane-3,7,12,25-tetrol-3-glucuronide 40V, Positive-QTOFsplash10-0693-9622300000-70a4f225cf788d58debb2021-09-22Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Extracellular
  • Membrane
Biospecimen Locations
  • Blood
  • Urine
Tissue Locations
  • Kidney
  • Liver
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableNormal
      Not Available
 details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableNormal
      Not Available
 details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB027507
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDC03033
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound42622727
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available

Only showing the first 10 proteins. There are 18 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 1-3
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
Enzyme Details
10. UDP-glucuronosyltransferase 2B17
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. The major substrates of this isozyme are eugenol > 4-methylumbelliferone > dihydrotestosterone (DHT) > androstane-3-alpha,17-beta-diol (3-alpha-diol) > testosterone > androsterone (ADT).
Gene Name:
UGT2B17
Uniprot ID:
O75795
Molecular weight:
61094.915

Only showing the first 10 proteins. There are 18 proteins in total.

Show all enzymes and transporters