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CHEBI:179984 - (22E)-3beta-Hydroxychola-5,16,22-trien-24-oic Acid
| Formula | C24H34O3 |
| Net Charge | 0 |
| Average Mass | 370.533 |
| Monoisotopic Mass | 370.25079 |
| SMILES | [H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)C([C@H](C)/C=C/C(=O)O)=CC[C@@]21[H] |
| InChI | InChI=1S/C24H34O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h4-5,7,9,15,17-18,20-21,25H,6,8,10-14H2,1-3H3,(H,26,27)/b9-4+/t15-,17+,18+,20+,21+,23+,24-/m1/s1 |
| InChIKey | CZPJWQWXLQPNCL-BZGKHHHISA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (22E)-3beta-Hydroxychola-5,16,22-trien-24-oic Acid (CHEBI:179984) is a 3β-hydroxy-Δ5-steroid (CHEBI:1722) |
| IUPAC Name |
|---|
| (E,4R)-4-[(3S,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pent-2-enoic acid |
| Manual Xrefs | Databases |
|---|---|
| 4447176 | ChemSpider |
| LMST04010341 | LIPID MAPS |