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CHEBI:81261 - avicholic 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])CC[C@]3(C)[C@@]([H])([C@H](C)CCC(=O)O)[C@H](O)C[C@@]3([H])[C@]1([H])[C@H](O)C2 |
| InChI | InChI=1S/C24H40O5/c1-13(4-5-20(28)29)22-19(27)12-17-21-16(7-9-24(17,22)3)23(2)8-6-15(25)10-14(23)11-18(21)26/h13-19,21-22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16+,17+,18-,19-,21-,22+,23+,24+/m1/s1 |
| InChIKey | PFMAXGIVRQIQPX-JSFQCDATSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | animal metabolite Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| avicholic acid (CHEBI:81261) has role animal metabolite (CHEBI:75767) |
| avicholic acid (CHEBI:81261) is a 16α-hydroxy steroid (CHEBI:16799) |
| avicholic acid (CHEBI:81261) is a 3α-hydroxy steroid (CHEBI:36835) |
| avicholic acid (CHEBI:81261) is a 7α-hydroxy steroid (CHEBI:36843) |
| avicholic acid (CHEBI:81261) is a bile acid (CHEBI:3098) |
| avicholic acid (CHEBI:81261) is a C24-steroid (CHEBI:131620) |
| avicholic acid (CHEBI:81261) is a trihydroxy-5β-cholanic acid (CHEBI:27114) |
| avicholic acid (CHEBI:81261) is conjugate acid of avicholate (CHEBI:178192) |
| Incoming Relation(s) |
| avicholate (CHEBI:178192) is conjugate base of avicholic acid (CHEBI:81261) |
| IUPAC Name |
|---|
| 3α,7α,16α-trihydroxy-5β-cholan-24-oic acid |
| Synonym | Source |
|---|---|
| Avicholic acid | KEGG COMPOUND |
| Manual Xrefs | Databases |
|---|---|
| C17667 | KEGG COMPOUND |
| LMST04010107 | LIPID MAPS |
| Citations |
|---|