| Compound-ID | 7001 |
| Common Name | 3alpha-Hydroxy-5beta-cholanate |
| Synonyms |
3alpha-Hydroxy-5beta-cholanic acid
Lithocholate Lithocholic acid |
| InChI |
InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m1/s1
|
| SMILES |
[H]C23(CCC1([H])(C4([H])(CCC(C(C)CCC(O)=O)C4(C)(CCC1([H])C3(C)(CCC(O)C2)))))
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| External Links | |
| KEGG-COMPOUND-ID |
C03990
|
| PUBCHEM-ID | 6705 |
| ChEBI-ID |
29744
16325 |
| REACTOME-ID | 176655 |
| METACYC-ID | CPD-7235 |
| METANETX-ID | MNXM741061 |
| BioModels |
29744 16325 |
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View all entries for compound: 3alpha-Hydroxy-5beta-cholanate |