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CHEBI:49269 - 7α,12α-dihydroxy-3-oxochol-4-en-24-oic acid
| Formula | C24H36O5 |
| Net Charge | 0 |
| Average Mass | 404.547 |
| Monoisotopic Mass | 404.25627 |
| SMILES | [H][C@@]12CC[C@]([H])([C@H](C)CCC(=O)O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)CC2=CC(=O)CC[C@@]21C |
| InChI | InChI=1S/C24H36O5/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/h10,13,16-20,22,26-27H,4-9,11-12H2,1-3H3,(H,28,29)/t13-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1 |
| InChIKey | ZZUMXQCSMJCDDC-DFQOQHGMSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 7α,12α-dihydroxy-3-oxochol-4-en-24-oic acid (CHEBI:49269) has functional parent chol-4-en-24-oic acid (CHEBI:49275) |
| 7α,12α-dihydroxy-3-oxochol-4-en-24-oic acid (CHEBI:49269) is a 12α-hydroxy steroid (CHEBI:36846) |
| 7α,12α-dihydroxy-3-oxochol-4-en-24-oic acid (CHEBI:49269) is a 3-oxo-Δ4 steroid (CHEBI:47909) |
| 7α,12α-dihydroxy-3-oxochol-4-en-24-oic acid (CHEBI:49269) is a 7α-hydroxy steroid (CHEBI:36843) |
| 7α,12α-dihydroxy-3-oxochol-4-en-24-oic acid (CHEBI:49269) is conjugate acid of 7α,12α-dihydroxy-3-oxochol-4-en-24-oate (CHEBI:58803) |
| Incoming Relation(s) |
| 7α-hydroxy-3-oxochol-4-en-24-oic acid (CHEBI:88109) has functional parent 7α,12α-dihydroxy-3-oxochol-4-en-24-oic acid (CHEBI:49269) |
| 7α,12α-dihydroxy-3-oxochol-4-en-24-oyl-CoA (CHEBI:134364) has functional parent 7α,12α-dihydroxy-3-oxochol-4-en-24-oic acid (CHEBI:49269) |
| 7α,12α-dihydroxy-3-oxochol-4-en-24-oate (CHEBI:58803) is conjugate base of 7α,12α-dihydroxy-3-oxochol-4-en-24-oic acid (CHEBI:49269) |
| IUPAC Name |
|---|
| 7α,12α-dihydroxy-3-oxochol-4-en-24-oic acid |
| Synonyms | Source |
|---|---|
| 7alpha,12alpha-Dihydroxy-3-oxochol-4-enoate | KEGG COMPOUND |
| 7α,12α-dihydroxy-3-oxochol-4-enoic acid | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| C15568 | KEGG COMPOUND |
| LMST04010241 | LIPID MAPS |
| Registry Numbers | Sources |
|---|---|
| Beilstein:3171824 | Beilstein |