EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:73926 - 3α,12α-dihydroxy-5β-chol-6-en-24-oic acid
| Formula | C24H38O4 |
| Net Charge | 0 |
| Average Mass | 390.564 |
| Monoisotopic Mass | 390.27701 |
| SMILES | [H][C@@]12C=C[C@]3([H])C[C@H](O)CC[C@]3(C)[C@@]1([H])C[C@H](O)[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CCC(=O)O |
| InChI | InChI=1S/C24H38O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h5-6,14-21,25-26H,4,7-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1 |
| InChIKey | LNOFKAWCANXKAC-LLQZFEROSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3α,12α-dihydroxy-5β-chol-6-en-24-oic acid (CHEBI:73926) has functional parent deoxycholic acid (CHEBI:28834) |
| 3α,12α-dihydroxy-5β-chol-6-en-24-oic acid (CHEBI:73926) has role metabolite (CHEBI:25212) |
| 3α,12α-dihydroxy-5β-chol-6-en-24-oic acid (CHEBI:73926) is a bile acid (CHEBI:3098) |
| 3α,12α-dihydroxy-5β-chol-6-en-24-oic acid (CHEBI:73926) is a dihydroxy-5β-cholanic acid (CHEBI:23775) |
| IUPAC Name |
|---|
| (3α,5β,12α)-3,12-dihydroxychol-6-en-24-oic acid |
| Manual Xrefs | Databases |
|---|---|
| LMST04010220 | LIPID MAPS |
| C11637 | KEGG COMPOUND |
| Registry Numbers | Sources |
|---|---|
| Reaxys:2708531 | Reaxys |