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Name | Sulfolithocholic acid |
---|---|
Molecular formula | C24H40O6S |
IUPAC name | (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-sulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid |
Molecular weight | 456.638 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 5.9 |
Synonyms | LMST05020015 3-Hydroxy-cholan-24-oic acid, 3-sulfate (3-.alpha., 5-.beta.) CHEMBL260315 CTK4H2814 lithocholic acid sulfate [ Show all ] |
Inchi Key | AXDXVEYHEODSPN-HVATVPOCSA-N |
Inchi ID | InChI=1S/C24H40O6S/c1-15(4-9-22(25)26)19-7-8-20-18-6-5-16-14-17(30-31(27,28)29)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21H,4-14H2,1-3H3,(H,25,26)(H,27,28,29)/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m1/s1 |
PubChem CID | 451489 |
ChEMBL | CHEMBL260315 |
IUPHAR | N/A |
BindingDB | 50375583 |
DrugBank | N/A |
Structure | ![]() |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
16598 | G-protein coupled bile acid receptor 1 | Q8TDU6 | GPBAR1 | Homo sapiens (Human) | 330 |
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