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CHEBI:196594 - 3alpha,7alpha-Dihydroxy-5beta-chol-16-en-24-oic Acid
| Formula | C24H38O4 |
| Net Charge | 0 |
| Average Mass | 390.564 |
| Monoisotopic Mass | 390.27701 |
| SMILES | [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@]3(C)C([C@H](C)CCC(=O)O)=CC[C@@]3([H])[C@]1([H])[C@H](O)C2 |
| InChI | InChI=1S/C24H38O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h5,14-16,18-20,22,25-26H,4,6-13H2,1-3H3,(H,27,28)/t14-,15+,16-,18+,19+,20-,22+,23+,24-/m1/s1 |
| InChIKey | JWCVBRQHSRBFQY-HZGGBFQVSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3alpha,7alpha-Dihydroxy-5beta-chol-16-en-24-oic Acid (CHEBI:196594) is a cholanoid (CHEBI:36078) |
| IUPAC Name |
|---|
| (4R)-4-[(3R,5S,7R,8R,9S,10S,13S,14S)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 4447267 | ChemSpider |
| LMST04010438 | LIPID MAPS |