Hmdb loader

Showing metabocard for Silenoside B (HMDB0034389)

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IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesenzymes (6) Show 6 proteinsXML
enzymes (6) Show 6 proteins
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 19:13:04 UTC
Update Date2022-03-07 02:54:05 UTC
HMDB IDHMDB0034389
Secondary Accession Numbers
  • HMDB34389
Metabolite Identification
Common NameSilenoside B
DescriptionSilenoside B belongs to the class of organic compounds known as triacylglycerols. These are glycerides consisting of three fatty acid chains covalently bonded to a glycerol molecule through ester linkages. Based on a literature review a significant number of articles have been published on Silenoside B.
Structure
Data?1563862555
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0034389 (Silenoside B)


  Mrv0541 05061307462D          

 98108  0  0  0  0            999 V2000
    7.0892   -1.9514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9471    1.3485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7010    2.8055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7616    2.8055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6589    0.1111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4747   -2.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0952    0.0816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8024   -1.1265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0879    0.9361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3734    0.5236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3734   -1.9514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7700   -0.7139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0556   -0.3014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0879   -1.5389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9458    1.7611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9458    0.9360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5168    1.7611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5168   -0.7139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7713   -2.7765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5181    5.4735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2326    5.0611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5859   -2.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0892   -1.1265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2326    1.7611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8023    0.5236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5168    0.9361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9470    5.4736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0569   -3.1889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8037    5.0610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6589   -1.5390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3734   -0.3014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7700   -1.5389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8037   -0.7140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
Download

3D MOL for HMDB0034389 (Silenoside B)

HMDB0034389
     RDKit          3D
Silenoside B
200210  0  0  0  0  0  0  0  0999 V2000
   -1.4266   -3.8841    2.9037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1274   -3.0772    1.7969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0728   -2.3241    2.4351 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8172   -1.6230    1.4824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8918   -1.2036    0.4664 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7091    0.0995    0.1358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3347    1.0040    0.7071 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7185    0.4610   -0.9610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5892    1.2730   -1.8769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5283    0.2993   -2.5342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7587   -0.5566   -3.4812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7622   -1.6155   -3.9892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4549    0.2564   -4.7160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5444   -1.2037   -2.8955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1084   -0.7791   -1.5765 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3638   -0.6469   -1.3215 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0104   -1.5125   -0.5853 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4306   -1.5685   -0.2022 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2276   -0.5663   -0.9472 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3802   -0.0837   -0.0990 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2643   -1.2890    0.2587 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9901    0.5360    1.1851 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0998    1.3015    1.8601 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4642    1.1236    1.2506 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2891    2.1188    1.8013 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3322    1.6251    2.5636 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1990    2.1213    3.8291 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3496    2.4068    4.5142 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0567    1.1972    5.0094 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1364    1.3844    5.6458 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6179   -0.1003    4.8241 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2601    3.3793    3.8179 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6009    3.1360    4.1473 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0462    3.3671    2.3421 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0910    4.2728    1.8956 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6294    2.0041    1.8777 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5789    1.0198    2.1071 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0595    0.4191    0.9599 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4299    0.7420    0.8496 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7874    0.5837   -0.4870 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2428    0.8978   -0.6985 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0809    0.0810    0.0414 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5274   -0.8251   -0.9832 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6073   -0.8015   -2.0292 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0694   -1.7346    0.1428 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2025   -2.0494    0.8831 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9818   -1.0799    0.9652 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0878   -1.5562    2.2718 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4764    1.3261   -0.2315 C   0  0  0  0  0  0  0  0  0  0  0  0
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 87189  1  0
 88190  1  0
 89191  1  0
 90192  1  0
 91193  1  0
 92194  1  0
 93195  1  0
 94196  1  0
 95197  1  0
 96198  1  0
 97199  1  0
 98200  1  0
M  END
Download

3D SDF for HMDB0034389 (Silenoside B)


  Mrv0541 05061307462D          

 98108  0  0  0  0            999 V2000
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    3.7010    2.8055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7616    2.8055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3734    0.5236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <DATABASE_ID>
HMDB0034389

> <DATABASE_NAME>
hmdb

> <SMILES>
CC1OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C=O)C5CCC4(C)C2(C)CC3O)C(OC2OC(C)C(OC3OCC(O)C(O)C3O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C65H102O33/c1-23-34(71)40(77)49(97-56-51(96-55-45(82)39(76)37(74)29(20-67)91-55)46(83)47(24(2)89-56)93-53-43(80)35(72)27(69)21-87-53)57(88-23)98-59(86)65-16-15-60(3,4)17-26(65)25-9-10-31-61(5)13-12-33(62(6,22-68)30(61)11-14-63(31,7)64(25,8)18-32(65)70)92-58-50(42(79)41(78)48(94-58)52(84)85)95-54-44(81)38(75)36(73)28(19-66)90-54/h9,22-24,26-51,53-58,66-67,69-83H,10-21H2,1-8H3,(H,84,85)

> <INCHI_KEY>
NJIPVRTTZILMPP-UHFFFAOYSA-N

> <FORMULA>
C65H102O33

> <MOLECULAR_WEIGHT>
1411.4856

> <EXACT_MASS>
1410.63033579

> <JCHEM_ACCEPTOR_COUNT>
32

> <JCHEM_AVERAGE_POLARIZABILITY>
143.1397638130742

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
18

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
6-({8a-[({4,5-dihydroxy-3-[(4-hydroxy-6-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)carbonyl]-4-formyl-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl}oxy)-3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid

> <ALOGPS_LOGP>
0.12

> <JCHEM_LOGP>
-3.6807181953333363

> <ALOGPS_LOGS>
-2.42

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
11

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
11.808908477166714

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.30993607310534

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6902614622956813

> <JCHEM_POLAR_SURFACE_AREA>
526.1100000000002

> <JCHEM_REFRACTIVITY>
321.2469999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
17

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.38e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
6-({8a-[({4,5-dihydroxy-3-[(4-hydroxy-6-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)carbonyl]-4-formyl-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl}oxy)-3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0034389 (Silenoside B)

HMDB0034389
     RDKit          3D
Silenoside B
200210  0  0  0  0  0  0  0  0999 V2000
   -1.4266   -3.8841    2.9037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1274   -3.0772    1.7969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0728   -2.3241    2.4351 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8172   -1.6230    1.4824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8918   -1.2036    0.4664 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7091    0.0995    0.1358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3347    1.0040    0.7071 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7185    0.4610   -0.9610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5892    1.2730   -1.8769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5283    0.2993   -2.5342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7587   -0.5566   -3.4812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7622   -1.6155   -3.9892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4549    0.2564   -4.7160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5444   -1.2037   -2.8955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1084   -0.7791   -1.5765 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3638   -0.6469   -1.3215 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0104   -1.5125   -0.5853 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
Download

PDB for HMDB0034389 (Silenoside B)

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0      13.233  -3.643   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      18.568   2.517   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.909   5.237   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       8.888   5.237   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.230   0.207   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.886  -4.822   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       3.911   0.152   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.231  -2.103   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.897   1.747   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.564   0.977   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.564  -3.643   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -1.437  -1.333   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -0.104  -0.563   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       3.897  -2.873   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       9.232   3.287   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       9.232   1.747   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.565   3.287   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       6.565  -1.333   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0     -10.773  -5.183   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      15.900  10.217   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      17.234   9.447   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -1.094  -4.822   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      13.233  -2.103   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      17.234   3.287   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       5.231   0.977   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       6.565   1.747   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      18.568  10.217   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -9.440  -5.953   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      14.567   9.447   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       1.230  -2.873   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       2.564  -0.563   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       7.898  -0.563   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -1.437  -2.873   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      14.567  -1.333   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      19.901   9.447   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -9.439  -7.493   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      13.233  10.217   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      -8.106  -8.263   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      11.899   9.447   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      14.567   0.207   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      -6.772  -1.333   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      -6.772  -2.873   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      19.901   7.907   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      -6.772  -7.493   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      11.899   7.907   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      15.900   5.597   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0      17.234   4.827   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0      -5.438  -0.563   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0      13.233   0.977   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0      -5.438  -3.643   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0      14.567   4.827   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0      -5.438   0.977   0.000  0.00  0.00           C+0
HETATM   53  C   UNK     0      18.568   7.137   0.000  0.00  0.00           C+0
HETATM   54  C   UNK     0      -6.772  -5.953   0.000  0.00  0.00           C+0
HETATM   55  C   UNK     0      13.233   7.137   0.000  0.00  0.00           C+0
HETATM   56  C   UNK     0      14.567   3.287   0.000  0.00  0.00           C+0
HETATM   57  C   UNK     0      11.899   0.207   0.000  0.00  0.00           C+0
HETATM   58  C   UNK     0      -4.105  -2.873   0.000  0.00  0.00           C+0
HETATM   59  C   UNK     0       9.232   0.207   0.000  0.00  0.00           C+0
HETATM   60  C   UNK     0       7.898   4.057   0.000  0.00  0.00           C+0
HETATM   61  C   UNK     0       1.230  -1.333   0.000  0.00  0.00           C+0
HETATM   62  C   UNK     0      -0.104  -3.643   0.000  0.00  0.00           C+0
HETATM   63  C   UNK     0       3.897  -1.333   0.000  0.00  0.00           C+0
HETATM   64  C   UNK     0       5.231  -0.563   0.000  0.00  0.00           C+0
HETATM   65  C   UNK     0       7.898   0.977   0.000  0.00  0.00           C+0
HETATM   66  O   UNK     0     -12.107  -5.953   0.000  0.00  0.00           O+0
HETATM   67  O   UNK     0      15.900  11.757   0.000  0.00  0.00           O+0
HETATM   68  O   UNK     0      -0.567  -6.270   0.000  0.00  0.00           O+0
HETATM   69  O   UNK     0      18.568  11.757   0.000  0.00  0.00           O+0
HETATM   70  O   UNK     0       8.187  -1.993   0.000  0.00  0.00           O+0
HETATM   71  O   UNK     0      15.900  -2.103   0.000  0.00  0.00           O+0
HETATM   72  O   UNK     0      21.235  10.217   0.000  0.00  0.00           O+0
HETATM   73  O   UNK     0     -10.773  -8.263   0.000  0.00  0.00           O+0
HETATM   74  O   UNK     0      13.233  11.757   0.000  0.00  0.00           O+0
HETATM   75  O   UNK     0      -8.106  -9.803   0.000  0.00  0.00           O+0
HETATM   76  O   UNK     0      10.566  10.217   0.000  0.00  0.00           O+0
HETATM   77  O   UNK     0      15.900   0.977   0.000  0.00  0.00           O+0
HETATM   78  O   UNK     0      -8.106  -0.563   0.000  0.00  0.00           O+0
HETATM   79  O   UNK     0      -8.106  -3.643   0.000  0.00  0.00           O+0
HETATM   80  O   UNK     0      21.235   7.137   0.000  0.00  0.00           O+0
HETATM   81  O   UNK     0      -5.438  -8.263   0.000  0.00  0.00           O+0
HETATM   82  O   UNK     0      10.566   7.137   0.000  0.00  0.00           O+0
HETATM   83  O   UNK     0      15.900   7.137   0.000  0.00  0.00           O+0
HETATM   84  O   UNK     0      -6.772   1.747   0.000  0.00  0.00           O+0
HETATM   85  O   UNK     0      -4.105   1.747   0.000  0.00  0.00           O+0
HETATM   86  O   UNK     0       9.232  -1.333   0.000  0.00  0.00           O+0
HETATM   87  O   UNK     0      17.234   7.907   0.000  0.00  0.00           O+0
HETATM   88  O   UNK     0      11.899  -1.333   0.000  0.00  0.00           O+0
HETATM   89  O   UNK     0      15.900   2.517   0.000  0.00  0.00           O+0
HETATM   90  O   UNK     0      -8.106  -5.183   0.000  0.00  0.00           O+0
HETATM   91  O   UNK     0      14.567   7.907   0.000  0.00  0.00           O+0
HETATM   92  O   UNK     0      -2.771  -3.643   0.000  0.00  0.00           O+0
HETATM   93  O   UNK     0      18.568   5.597   0.000  0.00  0.00           O+0
HETATM   94  O   UNK     0      -4.105  -1.333   0.000  0.00  0.00           O+0
HETATM   95  O   UNK     0      -5.438  -5.183   0.000  0.00  0.00           O+0
HETATM   96  O   UNK     0      13.233   5.597   0.000  0.00  0.00           O+0
HETATM   97  O   UNK     0      13.233   2.517   0.000  0.00  0.00           O+0
HETATM   98  O   UNK     0      10.566   0.977   0.000  0.00  0.00           O+0
CONECT    1   23                                                            
CONECT    2   24                                                            
CONECT    3   60                                                            
CONECT    4   60                                                            
CONECT    5   61                                                            
CONECT    6   62                                                            
CONECT    7   63                                                            
CONECT    8   64                                                            
CONECT    9   10   25                                                       
CONECT   10    9   31                                                       
CONECT   11   14   30                                                       
CONECT   12   13   33                                                       
CONECT   13   12   61                                                       
CONECT   14   11   63                                                       
CONECT   15   16   60                                                       
CONECT   16   15   65                                                       
CONECT   17   26   60                                                       
CONECT   18   32   64                                                       
CONECT   19   28   66                                                       
CONECT   20   29   67                                                       
CONECT   21   27   87                                                       
CONECT   22   62   68                                                       
CONECT   23    1   34   88                                                  
CONECT   24    2   47   89                                                  
CONECT   25    9   26   64                                                  
CONECT   26   17   25   65                                                  
CONECT   27   21   35   69                                                  
CONECT   28   19   36   90                                                  
CONECT   29   20   37   91                                                  
CONECT   30   11   61   62                                                  
CONECT   31   10   61   63                                                  
CONECT   32   18   65   70                                                  
CONECT   33   12   62   92                                                  
CONECT   34   23   40   71                                                  
CONECT   35   27   43   72                                                  
CONECT   36   28   38   73                                                  
CONECT   37   29   39   74                                                  
CONECT   38   36   44   75                                                  
CONECT   39   37   45   76                                                  
CONECT   40   34   49   77                                                  
CONECT   41   42   48   78                                                  
CONECT   42   41   50   79                                                  
CONECT   43   35   53   80                                                  
CONECT   44   38   54   81                                                  
CONECT   45   39   55   82                                                  
CONECT   46   47   51   83                                                  
CONECT   47   24   46   93                                                  
CONECT   48   41   52   94                                                  
CONECT   49   40   57   97                                                  
CONECT   50   42   58   95                                                  
CONECT   51   46   56   96                                                  
CONECT   52   48   84   85                                                  
CONECT   53   43   87   93                                                  
CONECT   54   44   90   95                                                  
CONECT   55   45   91   96                                                  
CONECT   56   51   89   97                                                  
CONECT   57   49   88   98                                                  
CONECT   58   50   92   94                                                  
CONECT   59   65   86   98                                                  
CONECT   60    3    4   15   17                                             
CONECT   61    5   13   30   31                                             
CONECT   62    6   22   30   33                                             
CONECT   63    7   14   31   64                                             
CONECT   64    8   18   25   63                                             
CONECT   65   16   26   32   59                                             
CONECT   66   19                                                            
CONECT   67   20                                                            
CONECT   68   22                                                            
CONECT   69   27                                                            
CONECT   70   32                                                            
CONECT   71   34                                                            
CONECT   72   35                                                            
CONECT   73   36                                                            
CONECT   74   37                                                            
CONECT   75   38                                                            
CONECT   76   39                                                            
CONECT   77   40                                                            
CONECT   78   41                                                            
CONECT   79   42                                                            
CONECT   80   43                                                            
CONECT   81   44                                                            
CONECT   82   45                                                            
CONECT   83   46                                                            
CONECT   84   52                                                            
CONECT   85   52                                                            
CONECT   86   59                                                            
CONECT   87   21   53                                                       
CONECT   88   23   57                                                       
CONECT   89   24   56                                                       
CONECT   90   28   54                                                       
CONECT   91   29   55                                                       
CONECT   92   33   58                                                       
CONECT   93   47   53                                                       
CONECT   94   48   58                                                       
CONECT   95   50   54                                                       
CONECT   96   51   55                                                       
CONECT   97   49   56                                                       
CONECT   98   57   59                                                       
MASTER        0    0    0    0    0    0    0    0   98    0  216    0
END
Download

3D PDB for HMDB0034389 (Silenoside B)

COMPND    HMDB0034389
HETATM    1  C1  UNL     1      -1.427  -3.884   2.904  1.00  0.00           C  
HETATM    2  C2  UNL     1      -2.127  -3.077   1.797  1.00  0.00           C  
HETATM    3  O1  UNL     1      -3.073  -2.324   2.435  1.00  0.00           O  
HETATM    4  C3  UNL     1      -3.817  -1.623   1.482  1.00  0.00           C  
HETATM    5  O2  UNL     1      -2.892  -1.204   0.466  1.00  0.00           O  
HETATM    6  C4  UNL     1      -2.709   0.100   0.136  1.00  0.00           C  
HETATM    7  O3  UNL     1      -3.335   1.004   0.707  1.00  0.00           O  
HETATM    8  C5  UNL     1      -1.719   0.461  -0.961  1.00  0.00           C  
HETATM    9  C6  UNL     1      -2.589   1.273  -1.877  1.00  0.00           C  
HETATM   10  C7  UNL     1      -3.528   0.299  -2.534  1.00  0.00           C  
HETATM   11  C8  UNL     1      -2.759  -0.557  -3.481  1.00  0.00           C  
HETATM   12  C9  UNL     1      -3.762  -1.615  -3.989  1.00  0.00           C  
HETATM   13  C10 UNL     1      -2.455   0.256  -4.716  1.00  0.00           C  
HETATM   14  C11 UNL     1      -1.544  -1.204  -2.896  1.00  0.00           C  
HETATM   15  C12 UNL     1      -1.108  -0.779  -1.577  1.00  0.00           C  
HETATM   16  C13 UNL     1       0.364  -0.647  -1.321  1.00  0.00           C  
HETATM   17  C14 UNL     1       1.010  -1.512  -0.585  1.00  0.00           C  
HETATM   18  C15 UNL     1       2.431  -1.569  -0.202  1.00  0.00           C  
HETATM   19  C16 UNL     1       3.228  -0.566  -0.947  1.00  0.00           C  
HETATM   20  C17 UNL     1       4.380  -0.084  -0.099  1.00  0.00           C  
HETATM   21  C18 UNL     1       5.264  -1.289   0.259  1.00  0.00           C  
HETATM   22  C19 UNL     1       3.990   0.536   1.185  1.00  0.00           C  
HETATM   23  C20 UNL     1       5.100   1.301   1.860  1.00  0.00           C  
HETATM   24  C21 UNL     1       6.464   1.124   1.251  1.00  0.00           C  
HETATM   25  O4  UNL     1       7.289   2.119   1.801  1.00  0.00           O  
HETATM   26  C22 UNL     1       8.332   1.625   2.564  1.00  0.00           C  
HETATM   27  O5  UNL     1       8.199   2.121   3.829  1.00  0.00           O  
HETATM   28  C23 UNL     1       9.350   2.407   4.514  1.00  0.00           C  
HETATM   29  C24 UNL     1      10.057   1.197   5.009  1.00  0.00           C  
HETATM   30  O6  UNL     1      11.136   1.384   5.646  1.00  0.00           O  
HETATM   31  O7  UNL     1       9.618  -0.100   4.824  1.00  0.00           O  
HETATM   32  C25 UNL     1      10.260   3.379   3.818  1.00  0.00           C  
HETATM   33  O8  UNL     1      11.601   3.136   4.147  1.00  0.00           O  
HETATM   34  C26 UNL     1      10.046   3.367   2.342  1.00  0.00           C  
HETATM   35  O9  UNL     1       9.091   4.273   1.896  1.00  0.00           O  
HETATM   36  C27 UNL     1       9.629   2.004   1.878  1.00  0.00           C  
HETATM   37  O10 UNL     1      10.579   1.020   2.107  1.00  0.00           O  
HETATM   38  C28 UNL     1      11.059   0.419   0.960  1.00  0.00           C  
HETATM   39  O11 UNL     1      12.430   0.742   0.850  1.00  0.00           O  
HETATM   40  C29 UNL     1      12.787   0.584  -0.487  1.00  0.00           C  
HETATM   41  C30 UNL     1      14.243   0.898  -0.698  1.00  0.00           C  
HETATM   42  O12 UNL     1      15.081   0.081   0.041  1.00  0.00           O  
HETATM   43  C31 UNL     1      12.527  -0.825  -0.983  1.00  0.00           C  
HETATM   44  O13 UNL     1      11.607  -0.802  -2.029  1.00  0.00           O  
HETATM   45  C32 UNL     1      12.069  -1.735   0.143  1.00  0.00           C  
HETATM   46  O14 UNL     1      13.203  -2.049   0.883  1.00  0.00           O  
HETATM   47  C33 UNL     1      10.982  -1.080   0.965  1.00  0.00           C  
HETATM   48  O15 UNL     1      11.088  -1.556   2.272  1.00  0.00           O  
HETATM   49  C34 UNL     1       6.476   1.326  -0.232  1.00  0.00           C  
HETATM   50  C35 UNL     1       7.693   0.687  -0.871  1.00  0.00           C  
HETATM   51  C36 UNL     1       6.628   2.813  -0.460  1.00  0.00           C  
HETATM   52  O16 UNL     1       6.336   3.641   0.384  1.00  0.00           O  
HETATM   53  C37 UNL     1       5.234   0.855  -0.918  1.00  0.00           C  
HETATM   54  C38 UNL     1       4.386   2.033  -1.238  1.00  0.00           C  
HETATM   55  C39 UNL     1       3.162   1.739  -2.011  1.00  0.00           C  
HETATM   56  C40 UNL     1       2.589   0.351  -1.877  1.00  0.00           C  
HETATM   57  C41 UNL     1       2.855  -0.267  -3.301  1.00  0.00           C  
HETATM   58  C42 UNL     1       1.092   0.515  -1.863  1.00  0.00           C  
HETATM   59  C43 UNL     1       0.760   0.912  -3.280  1.00  0.00           C  
HETATM   60  C44 UNL     1       0.565   1.661  -1.002  1.00  0.00           C  
HETATM   61  C45 UNL     1      -0.733   1.369  -0.313  1.00  0.00           C  
HETATM   62  O17 UNL     1      -1.390   2.607  -0.124  1.00  0.00           O  
HETATM   63  C46 UNL     1      -4.715  -2.650   0.864  1.00  0.00           C  
HETATM   64  O18 UNL     1      -5.748  -2.076   0.207  1.00  0.00           O  
HETATM   65  C47 UNL     1      -6.993  -2.557   0.481  1.00  0.00           C  
HETATM   66  O19 UNL     1      -7.397  -3.292  -0.633  1.00  0.00           O  
HETATM   67  C48 UNL     1      -7.901  -2.601  -1.694  1.00  0.00           C  
HETATM   68  C49 UNL     1      -6.913  -1.884  -2.552  1.00  0.00           C  
HETATM   69  C50 UNL     1      -9.074  -1.710  -1.272  1.00  0.00           C  
HETATM   70  O20 UNL     1      -9.054  -0.448  -1.683  1.00  0.00           O  
HETATM   71  C51 UNL     1      -9.843   0.074  -2.638  1.00  0.00           C  
HETATM   72  O21 UNL     1      -9.220   0.802  -3.607  1.00  0.00           O  
HETATM   73  C52 UNL     1      -9.994   1.607  -4.383  1.00  0.00           C  
HETATM   74  C53 UNL     1     -11.476   1.383  -4.201  1.00  0.00           C  
HETATM   75  O22 UNL     1     -12.114   2.251  -5.089  1.00  0.00           O  
HETATM   76  C54 UNL     1     -11.757   1.736  -2.758  1.00  0.00           C  
HETATM   77  O23 UNL     1     -13.109   1.492  -2.545  1.00  0.00           O  
HETATM   78  C55 UNL     1     -10.944   0.857  -1.890  1.00  0.00           C  
HETATM   79  O24 UNL     1     -10.333   1.640  -0.908  1.00  0.00           O  
HETATM   80  C56 UNL     1      -9.326  -1.963   0.190  1.00  0.00           C  
HETATM   81  O25 UNL     1     -10.434  -1.376   0.714  1.00  0.00           O  
HETATM   82  C57 UNL     1      -8.035  -1.663   1.015  1.00  0.00           C  
HETATM   83  O26 UNL     1      -7.788  -0.328   1.071  1.00  0.00           O  
HETATM   84  C58 UNL     1      -8.052   0.269   2.275  1.00  0.00           C  
HETATM   85  O27 UNL     1      -9.114   1.155   2.216  1.00  0.00           O  
HETATM   86  C59 UNL     1      -9.528   1.597   3.464  1.00  0.00           C  
HETATM   87  C60 UNL     1     -10.514   0.603   4.092  1.00  0.00           C  
HETATM   88  O28 UNL     1     -10.928   1.071   5.335  1.00  0.00           O  
HETATM   89  C61 UNL     1      -8.394   1.889   4.393  1.00  0.00           C  
HETATM   90  O29 UNL     1      -8.633   3.015   5.188  1.00  0.00           O  
HETATM   91  C62 UNL     1      -7.080   2.089   3.690  1.00  0.00           C  
HETATM   92  O30 UNL     1      -6.026   2.266   4.559  1.00  0.00           O  
HETATM   93  C63 UNL     1      -6.816   0.841   2.867  1.00  0.00           C  
HETATM   94  O31 UNL     1      -6.185  -0.063   3.749  1.00  0.00           O  
HETATM   95  C64 UNL     1      -3.794  -3.472  -0.040  1.00  0.00           C  
HETATM   96  O32 UNL     1      -4.529  -4.545  -0.518  1.00  0.00           O  
HETATM   97  C65 UNL     1      -2.621  -4.003   0.729  1.00  0.00           C  
HETATM   98  O33 UNL     1      -1.590  -4.253  -0.164  1.00  0.00           O  
HETATM   99  H1  UNL     1      -0.788  -3.172   3.452  1.00  0.00           H  
HETATM  100  H2  UNL     1      -2.232  -4.184   3.615  1.00  0.00           H  
HETATM  101  H3  UNL     1      -0.897  -4.742   2.458  1.00  0.00           H  
HETATM  102  H4  UNL     1      -1.356  -2.376   1.423  1.00  0.00           H  
HETATM  103  H5  UNL     1      -4.333  -0.750   1.920  1.00  0.00           H  
HETATM  104  H6  UNL     1      -3.221   1.936  -1.200  1.00  0.00           H  
HETATM  105  H7  UNL     1      -2.118   1.951  -2.557  1.00  0.00           H  
HETATM  106  H8  UNL     1      -4.065  -0.276  -1.749  1.00  0.00           H  
HETATM  107  H9  UNL     1      -4.283   0.876  -3.097  1.00  0.00           H  
HETATM  108  H10 UNL     1      -4.081  -2.163  -3.082  1.00  0.00           H  
HETATM  109  H11 UNL     1      -3.181  -2.344  -4.595  1.00  0.00           H  
HETATM  110  H12 UNL     1      -4.603  -1.149  -4.494  1.00  0.00           H  
HETATM  111  H13 UNL     1      -1.432  -0.049  -5.085  1.00  0.00           H  
HETATM  112  H14 UNL     1      -2.354   1.340  -4.489  1.00  0.00           H  
HETATM  113  H15 UNL     1      -3.135   0.052  -5.545  1.00  0.00           H  
HETATM  114  H16 UNL     1      -0.756  -1.152  -3.668  1.00  0.00           H  
HETATM  115  H17 UNL     1      -1.774  -2.333  -2.934  1.00  0.00           H  
HETATM  116  H18 UNL     1      -1.480  -1.604  -0.875  1.00  0.00           H  
HETATM  117  H19 UNL     1       0.359  -2.351  -0.198  1.00  0.00           H  
HETATM  118  H20 UNL     1       2.754  -2.634  -0.410  1.00  0.00           H  
HETATM  119  H21 UNL     1       2.558  -1.502   0.910  1.00  0.00           H  
HETATM  120  H22 UNL     1       3.836  -1.311  -1.644  1.00  0.00           H  
HETATM  121  H23 UNL     1       4.791  -2.213  -0.194  1.00  0.00           H  
HETATM  122  H24 UNL     1       5.253  -1.507   1.344  1.00  0.00           H  
HETATM  123  H25 UNL     1       6.250  -1.237  -0.208  1.00  0.00           H  
HETATM  124  H26 UNL     1       3.122   1.219   1.121  1.00  0.00           H  
HETATM  125  H27 UNL     1       3.763  -0.311   1.907  1.00  0.00           H  
HETATM  126  H28 UNL     1       4.893   2.386   1.926  1.00  0.00           H  
HETATM  127  H29 UNL     1       5.215   0.995   2.942  1.00  0.00           H  
HETATM  128  H30 UNL     1       6.931   0.171   1.597  1.00  0.00           H  
HETATM  129  H31 UNL     1       8.305   0.499   2.625  1.00  0.00           H  
HETATM  130  H32 UNL     1       9.016   2.944   5.455  1.00  0.00           H  
HETATM  131  H33 UNL     1       8.891  -0.486   5.413  1.00  0.00           H  
HETATM  132  H34 UNL     1      10.067   4.436   4.169  1.00  0.00           H  
HETATM  133  H35 UNL     1      12.088   3.065   3.294  1.00  0.00           H  
HETATM  134  H36 UNL     1      11.006   3.671   1.868  1.00  0.00           H  
HETATM  135  H37 UNL     1       9.275   4.407   0.926  1.00  0.00           H  
HETATM  136  H38 UNL     1       9.518   2.068   0.779  1.00  0.00           H  
HETATM  137  H39 UNL     1      10.608   0.791   0.019  1.00  0.00           H  
HETATM  138  H40 UNL     1      12.195   1.296  -1.102  1.00  0.00           H  
HETATM  139  H41 UNL     1      14.471   0.679  -1.767  1.00  0.00           H  
HETATM  140  H42 UNL     1      14.467   1.972  -0.547  1.00  0.00           H  
HETATM  141  H43 UNL     1      15.398   0.518   0.873  1.00  0.00           H  
HETATM  142  H44 UNL     1      13.451  -1.295  -1.412  1.00  0.00           H  
HETATM  143  H45 UNL     1      12.031  -0.291  -2.759  1.00  0.00           H  
HETATM  144  H46 UNL     1      11.701  -2.674  -0.326  1.00  0.00           H  
HETATM  145  H47 UNL     1      13.620  -2.856   0.467  1.00  0.00           H  
HETATM  146  H48 UNL     1      10.021  -1.403   0.501  1.00  0.00           H  
HETATM  147  H49 UNL     1      10.478  -2.335   2.331  1.00  0.00           H  
HETATM  148  H50 UNL     1       8.263   0.054  -0.187  1.00  0.00           H  
HETATM  149  H51 UNL     1       7.364   0.147  -1.808  1.00  0.00           H  
HETATM  150  H52 UNL     1       8.420   1.444  -1.259  1.00  0.00           H  
HETATM  151  H53 UNL     1       7.011   3.193  -1.405  1.00  0.00           H  
HETATM  152  H54 UNL     1       5.531   0.348  -1.846  1.00  0.00           H  
HETATM  153  H55 UNL     1       4.151   2.577  -0.299  1.00  0.00           H  
HETATM  154  H56 UNL     1       5.058   2.755  -1.792  1.00  0.00           H  
HETATM  155  H57 UNL     1       3.420   2.007  -3.085  1.00  0.00           H  
HETATM  156  H58 UNL     1       2.423   2.536  -1.752  1.00  0.00           H  
HETATM  157  H59 UNL     1       2.939   0.490  -4.061  1.00  0.00           H  
HETATM  158  H60 UNL     1       3.912  -0.679  -3.202  1.00  0.00           H  
HETATM  159  H61 UNL     1       2.252  -1.152  -3.461  1.00  0.00           H  
HETATM  160  H62 UNL     1       0.999   0.216  -4.067  1.00  0.00           H  
HETATM  161  H63 UNL     1       1.487   1.782  -3.487  1.00  0.00           H  
HETATM  162  H64 UNL     1      -0.193   1.355  -3.466  1.00  0.00           H  
HETATM  163  H65 UNL     1       0.411   2.573  -1.615  1.00  0.00           H  
HETATM  164  H66 UNL     1       1.278   1.941  -0.198  1.00  0.00           H  
HETATM  165  H67 UNL     1      -0.584   1.000   0.732  1.00  0.00           H  
HETATM  166  H68 UNL     1      -1.453   3.094  -0.986  1.00  0.00           H  
HETATM  167  H69 UNL     1      -5.031  -3.379   1.637  1.00  0.00           H  
HETATM  168  H70 UNL     1      -6.818  -3.379   1.256  1.00  0.00           H  
HETATM  169  H71 UNL     1      -8.293  -3.430  -2.374  1.00  0.00           H  
HETATM  170  H72 UNL     1      -6.153  -1.329  -2.015  1.00  0.00           H  
HETATM  171  H73 UNL     1      -6.370  -2.666  -3.152  1.00  0.00           H  
HETATM  172  H74 UNL     1      -7.485  -1.318  -3.317  1.00  0.00           H  
HETATM  173  H75 UNL     1      -9.938  -2.161  -1.808  1.00  0.00           H  
HETATM  174  H76 UNL     1     -10.506  -0.671  -3.169  1.00  0.00           H  
HETATM  175  H77 UNL     1      -9.793   2.672  -4.182  1.00  0.00           H  
HETATM  176  H78 UNL     1      -9.739   1.434  -5.440  1.00  0.00           H  
HETATM  177  H79 UNL     1     -11.725   0.330  -4.435  1.00  0.00           H  
HETATM  178  H80 UNL     1     -12.995   2.449  -4.665  1.00  0.00           H  
HETATM  179  H81 UNL     1     -11.511   2.816  -2.632  1.00  0.00           H  
HETATM  180  H82 UNL     1     -13.271   1.126  -1.627  1.00  0.00           H  
HETATM  181  H83 UNL     1     -11.631   0.115  -1.387  1.00  0.00           H  
HETATM  182  H84 UNL     1     -10.336   2.585  -1.205  1.00  0.00           H  
HETATM  183  H85 UNL     1      -9.426  -3.061   0.351  1.00  0.00           H  
HETATM  184  H86 UNL     1     -11.233  -1.904   0.831  1.00  0.00           H  
HETATM  185  H87 UNL     1      -8.382  -1.962   2.047  1.00  0.00           H  
HETATM  186  H88 UNL     1      -8.407  -0.562   2.958  1.00  0.00           H  
HETATM  187  H89 UNL     1     -10.091   2.531   3.306  1.00  0.00           H  
HETATM  188  H90 UNL     1     -10.039  -0.405   4.172  1.00  0.00           H  
HETATM  189  H91 UNL     1     -11.412   0.477   3.461  1.00  0.00           H  
HETATM  190  H92 UNL     1     -11.884   1.307   5.324  1.00  0.00           H  
HETATM  191  H93 UNL     1      -8.260   1.037   5.123  1.00  0.00           H  
HETATM  192  H94 UNL     1      -9.311   2.782   5.887  1.00  0.00           H  
HETATM  193  H95 UNL     1      -7.176   2.941   2.986  1.00  0.00           H  
HETATM  194  H96 UNL     1      -6.378   2.167   5.482  1.00  0.00           H  
HETATM  195  H97 UNL     1      -6.051   1.115   2.112  1.00  0.00           H  
HETATM  196  H98 UNL     1      -6.608  -0.120   4.618  1.00  0.00           H  
HETATM  197  H99 UNL     1      -3.525  -2.828  -0.887  1.00  0.00           H  
HETATM  198  HA0 UNL     1      -3.934  -5.148  -1.035  1.00  0.00           H  
HETATM  199  HA1 UNL     1      -2.870  -4.973   1.210  1.00  0.00           H  
HETATM  200  HA2 UNL     1      -1.683  -5.144  -0.596  1.00  0.00           H  
CONECT    1    2   99  100  101
CONECT    2    3   97  102
CONECT    3    4
CONECT    4    5   63  103
CONECT    5    6
CONECT    6    7    7    8
CONECT    8    9   15   61
CONECT    9   10  104  105
CONECT   10   11  106  107
CONECT   11   12   13   14
CONECT   12  108  109  110
CONECT   13  111  112  113
CONECT   14   15  114  115
CONECT   15   16  116
CONECT   16   17   17   58
CONECT   17   18  117
CONECT   18   19  118  119
CONECT   19   20   56  120
CONECT   20   21   22   53
CONECT   21  121  122  123
CONECT   22   23  124  125
CONECT   23   24  126  127
CONECT   24   25   49  128
CONECT   25   26
CONECT   26   27   36  129
CONECT   27   28
CONECT   28   29   32  130
CONECT   29   30   30   31
CONECT   31  131
CONECT   32   33   34  132
CONECT   33  133
CONECT   34   35   36  134
CONECT   35  135
CONECT   36   37  136
CONECT   37   38
CONECT   38   39   47  137
CONECT   39   40
CONECT   40   41   43  138
CONECT   41   42  139  140
CONECT   42  141
CONECT   43   44   45  142
CONECT   44  143
CONECT   45   46   47  144
CONECT   46  145
CONECT   47   48  146
CONECT   48  147
CONECT   49   50   51   53
CONECT   50  148  149  150
CONECT   51   52   52  151
CONECT   53   54  152
CONECT   54   55  153  154
CONECT   55   56  155  156
CONECT   56   57   58
CONECT   57  157  158  159
CONECT   58   59   60
CONECT   59  160  161  162
CONECT   60   61  163  164
CONECT   61   62  165
CONECT   62  166
CONECT   63   64   95  167
CONECT   64   65
CONECT   65   66   82  168
CONECT   66   67
CONECT   67   68   69  169
CONECT   68  170  171  172
CONECT   69   70   80  173
CONECT   70   71
CONECT   71   72   78  174
CONECT   72   73
CONECT   73   74  175  176
CONECT   74   75   76  177
CONECT   75  178
CONECT   76   77   78  179
CONECT   77  180
CONECT   78   79  181
CONECT   79  182
CONECT   80   81   82  183
CONECT   81  184
CONECT   82   83  185
CONECT   83   84
CONECT   84   85   93  186
CONECT   85   86
CONECT   86   87   89  187
CONECT   87   88  188  189
CONECT   88  190
CONECT   89   90   91  191
CONECT   90  192
CONECT   91   92   93  193
CONECT   92  194
CONECT   93   94  195
CONECT   94  196
CONECT   95   96   97  197
CONECT   96  198
CONECT   97   98  199
CONECT   98  200
END
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SMILES for HMDB0034389 (Silenoside B)

CC1OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C=O)C5CCC4(C)C2(C)CC3O)C(OC2OC(C)C(OC3OCC(O)C(O)C3O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C1O
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INCHI for HMDB0034389 (Silenoside B)

InChI=1S/C65H102O33/c1-23-34(71)40(77)49(97-56-51(96-55-45(82)39(76)37(74)29(20-67)91-55)46(83)47(24(2)89-56)93-53-43(80)35(72)27(69)21-87-53)57(88-23)98-59(86)65-16-15-60(3,4)17-26(65)25-9-10-31-61(5)13-12-33(62(6,22-68)30(61)11-14-63(31,7)64(25,8)18-32(65)70)92-58-50(42(79)41(78)48(94-58)52(84)85)95-54-44(81)38(75)36(73)28(19-66)90-54/h9,22-24,26-51,53-58,66-67,69-83H,10-21H2,1-8H3,(H,84,85)
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Synonyms
ValueSource
6-({8a-[({4,5-dihydroxy-3-[(4-hydroxy-6-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)carbonyl]-4-formyl-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl}oxy)-3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylateHMDB
Chemical FormulaC65H102O33
Average Molecular Weight1411.4856
Monoisotopic Molecular Weight1410.63033579
IUPAC Name6-({8a-[({4,5-dihydroxy-3-[(4-hydroxy-6-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)carbonyl]-4-formyl-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl}oxy)-3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid
Traditional Name6-({8a-[({4,5-dihydroxy-3-[(4-hydroxy-6-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)carbonyl]-4-formyl-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl}oxy)-3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid
CAS Registry Number229484-36-0
SMILES
CC1OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(OC6OC(C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C=O)C5CCC4(C)C2(C)CC3O)C(OC2OC(C)C(OC3OCC(O)C(O)C3O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C1O
InChI Identifier
InChI=1S/C65H102O33/c1-23-34(71)40(77)49(97-56-51(96-55-45(82)39(76)37(74)29(20-67)91-55)46(83)47(24(2)89-56)93-53-43(80)35(72)27(69)21-87-53)57(88-23)98-59(86)65-16-15-60(3,4)17-26(65)25-9-10-31-61(5)13-12-33(62(6,22-68)30(61)11-14-63(31,7)64(25,8)18-32(65)70)92-58-50(42(79)41(78)48(94-58)52(84)85)95-54-44(81)38(75)36(73)28(19-66)90-54/h9,22-24,26-51,53-58,66-67,69-83H,10-21H2,1-8H3,(H,84,85)
InChI KeyNJIPVRTTZILMPP-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as triacylglycerols. These are glycerides consisting of three fatty acid chains covalently bonded to a glycerol molecule through ester linkages.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassGlycerolipids
Sub ClassTriradylcglycerols
Direct ParentTriacylglycerols
Alternative Parents
Substituents
  • Triacyl-sn-glycerol
  • Tricarboxylic acid or derivatives
  • Fatty acid ester
  • Fatty acyl
  • Carboxylic acid ester
  • Carboxylic acid derivative
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological locationRoute of exposureSource
Process
Naturally occurring process
Role
Biological roleIndustrial application
Physical Properties
StateNot Available
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 Solubility5.38 g/LALOGPS
logP0.12ALOGPS
logP-3.7ChemAxon
logS-2.4ALOGPS
pKa (Strongest Acidic)3.31ChemAxon
pKa (Strongest Basic)-3.7ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count32ChemAxon
Hydrogen Donor Count18ChemAxon
Polar Surface Area526.11 ŲChemAxon
Rotatable Bond Count17ChemAxon
Refractivity321.25 m³·mol⁻¹ChemAxon
Polarizability143.14 ųChemAxon
Number of Rings11ChemAxon
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]-405.2130932474
DeepCCS[M+Na]+378.98630932474

Predicted Retention Times

Underivatized

Chromatographic MethodRetention TimeReference
Measured using a Waters Acquity ultraperformance liquid chromatography (UPLC) ethylene-bridged hybrid (BEH) C18 column (100 mm × 2.1 mm; 1.7 μmparticle diameter). Predicted by Afia on May 17, 2022. Predicted by Afia on May 17, 2022.5.54 minutes32390414
Predicted by Siyang on May 30, 202218.3925 minutes33406817
Predicted by Siyang using ReTip algorithm on June 8, 20225.35 minutes32390414
AjsUoB = Accucore 150 Amide HILIC with 10mM Ammonium Formate, 0.1% Formic Acid395.2 seconds40023050
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid3570.1 seconds40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid179.0 seconds40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid170.3 seconds40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid237.1 seconds40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid185.5 seconds40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid542.6 seconds40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid775.3 seconds40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)948.2 seconds40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid1249.8 seconds40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid664.3 seconds40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid1864.0 seconds40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid470.9 seconds40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid453.3 seconds40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate431.4 seconds40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA524.6 seconds40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water110.2 seconds40023050

Predicted Kovats Retention Indices

Not Available
Spectra

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Silenoside B 10V, Positive-QTOFsplash10-0a5c-5196203174-c78beac5a07acdf34a672016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Silenoside B 20V, Positive-QTOFsplash10-0a4i-7653206079-8477e2865911330ce4182016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Silenoside B 40V, Positive-QTOFsplash10-07bu-5923305055-bb72806edd035da5e34c2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Silenoside B 10V, Negative-QTOFsplash10-0pdl-5987400042-64e2635c747207a794af2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Silenoside B 20V, Negative-QTOFsplash10-056u-3956301231-f69a6b66ba31c0b2cc1d2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Silenoside B 40V, Negative-QTOFsplash10-004i-3921100001-85e06557da75772981012016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Silenoside B 10V, Positive-QTOFsplash10-03di-4126900020-4e57f3ec11c76760257a2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Silenoside B 20V, Positive-QTOFsplash10-0990-2884923238-a00435254ece83a866fb2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Silenoside B 40V, Positive-QTOFsplash10-08fr-8839660030-22023e7976f6befafc982021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Silenoside B 10V, Negative-QTOFsplash10-0a4i-0437931140-2b8ae912b9d53d6719252021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Silenoside B 20V, Negative-QTOFsplash10-0a4i-8219300420-3e0ceac071699a6c6bfa2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Silenoside B 40V, Negative-QTOFsplash10-07xr-5313109600-0487d0b1a9d5d95e7ea12021-09-22Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
  • Membrane
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB012774
KNApSAcK IDC00058034
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound85279605
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 References
  1. Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [PubMed:11413487 ]
  2. Watson AD: Thematic review series: systems biology approaches to metabolic and cardiovascular disorders. Lipidomics: a global approach to lipid analysis in biological systems. J Lipid Res. 2006 Oct;47(10):2101-11. Epub 2006 Aug 10. [PubMed:16902246 ]
  3. Sethi JK, Vidal-Puig AJ: Thematic review series: adipocyte biology. Adipose tissue function and plasticity orchestrate nutritional adaptation. J Lipid Res. 2007 Jun;48(6):1253-62. Epub 2007 Mar 20. [PubMed:17374880 ]
  4. Lingwood D, Simons K: Lipid rafts as a membrane-organizing principle. Science. 2010 Jan 1;327(5961):46-50. doi: 10.1126/science.1174621. [PubMed:20044567 ]
  5. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
  6. Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.

Enzymes

Enzyme Details
1. 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
2. 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
3. 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
4. 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
5. 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
6. UDP-glucuronosyltransferase 1-6
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:
UGT1A6
Uniprot ID:
P19224
Molecular weight:
60750.215