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CHEBI:49270 - 12α-hydroxy-3-oxochola-4,6-dien-24-oic acid
| Formula | C24H34O4 |
| Net Charge | 0 |
| Average Mass | 386.532 |
| Monoisotopic Mass | 386.24571 |
| SMILES | [H][C@@]12C=CC3=CC(=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/C24H34O4/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/h5-6,12,14,17-21,26H,4,7-11,13H2,1-3H3,(H,27,28)/t14-,17+,18-,19+,20+,21+,23+,24-/m1/s1 |
| InChIKey | DJVAMCYXFUWMLS-QUPGBHKMSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 12α-hydroxy-3-oxochola-4,6-dien-24-oic acid (CHEBI:49270) has functional parent chola-4,6-dien-24-oic acid (CHEBI:49277) |
| 12α-hydroxy-3-oxochola-4,6-dien-24-oic acid (CHEBI:49270) is a 12α-hydroxy steroid (CHEBI:36846) |
| 12α-hydroxy-3-oxochola-4,6-dien-24-oic acid (CHEBI:49270) is a 3-oxo-Δ4 steroid (CHEBI:47909) |
| 12α-hydroxy-3-oxochola-4,6-dien-24-oic acid (CHEBI:49270) is conjugate acid of 12α-hydroxy-3-oxochola-4,6-dien-24-oate (CHEBI:58804) |
| Incoming Relation(s) |
| 12α-hydroxy-3-oxochola-4,6-dien-24-oyl-CoA (CHEBI:134366) has functional parent 12α-hydroxy-3-oxochola-4,6-dien-24-oic acid (CHEBI:49270) |
| 12α-hydroxy-3-oxochola-4,6-dien-24-oate (CHEBI:58804) is conjugate base of 12α-hydroxy-3-oxochola-4,6-dien-24-oic acid (CHEBI:49270) |
| IUPAC Name |
|---|
| 12α-hydroxy-3-oxochola-4,6-dien-24-oic acid |
| Synonyms | Source |
|---|---|
| 12alpha-Hydroxy-3-oxochola-4,6-dienoate | KEGG COMPOUND |
| 12α-hydroxy-3-oxochola-4,6-dienoic acid | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| C15569 | KEGG COMPOUND |
| LMST04010245 | LIPID MAPS |
| Registry Numbers | Sources |
|---|---|
| Beilstein:3224435 | Beilstein |