| Compound-ID | 5188 |
| Common Name | 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanate |
| Synonyms |
Cholate
3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanic acid Cholic acid |
| InChI |
InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1
|
| SMILES |
[H]C12(CC(O)CCC1(C)C3([H])(CC(O)C4(C)(C([H])(CCC4([H])(C3([H])(C(O)C2)))C(C)CCC(O)=O)))
|
| External Links | |
| KEGG-COMPOUND-ID |
C00695
|
| PUBCHEM-ID | 3963 |
| ChEBI-ID |
16359
29747 |
| REACTOME-ID | 193451 |
| METACYC-ID | CHOLATE |
| METANETX-ID | MNXM735593 |
| BioModels |
16359 29747 |
|
View all entries for compound: 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanate |