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CHEBI:36240 - 3α,7α,12β-trihydroxy-5β-cholanic acid
| Formula | C24H40O5 |
| Net Charge | 0 |
| Average Mass | 408.579 |
| Monoisotopic Mass | 408.28757 |
| SMILES | [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@@H](O)[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CCC(=O)O)[C@]1([H])[C@H](O)C2 |
| 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 |
| InChIKey | BHQCQFFYRZLCQQ-KRHHAYMPSA-N |
| Roles Classification |
|---|
| Biological Role: | human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3α,7α,12β-trihydroxy-5β-cholanic acid (CHEBI:36240) has role human metabolite (CHEBI:77746) |
| 3α,7α,12β-trihydroxy-5β-cholanic acid (CHEBI:36240) is a trihydroxy-5β-cholanic acid (CHEBI:27114) |
| 3α,7α,12β-trihydroxy-5β-cholanic acid (CHEBI:36240) is conjugate acid of 3α,7α,12β-trihydroxy-5β-cholanate (CHEBI:15755) |
| Incoming Relation(s) |
| 3α,7α,12β-trihydroxy-5β-cholanate (CHEBI:15755) is conjugate base of 3α,7α,12β-trihydroxy-5β-cholanic acid (CHEBI:36240) |
| IUPAC Name |
|---|
| 3α,7α,12β-trihydroxy-5β-cholan-24-oic acid |
| Synonyms | Source |
|---|---|
| 3alpha,7alpha,12beta-Trihydroxy-5beta-cholanate | KEGG COMPOUND |
| 3alpha,7alpha,12beta-Trihydroxy-5beta-cholanic acid | KEGG COMPOUND |
| lagocholic acid | HMDB |
| Manual Xrefs | Databases |
|---|---|
| C04661 | KEGG COMPOUND |
| HMDB0000312 | HMDB |
| LMST04010085 | LIPID MAPS |
| Registry Numbers | Sources |
|---|---|
| Reaxys:3222494 | Reaxys |
| Beilstein:3222494 | Beilstein |
| Citations |
|---|