EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:196604 - 3alpha,12alpha-Dihydroxy-5beta-chol-14-en-24-oic Acid
| Formula | C24H38O4 |
| Net Charge | 0 |
| Average Mass | 390.564 |
| Monoisotopic Mass | 390.27701 |
| SMILES | [H][C@]12CC[C@@]3([H])C4=CC[C@]([H])([C@H](C)CCC(=O)O)[C@@]4(C)[C@@H](O)C[C@]3([H])[C@@]1(C)CC[C@@H](O)C2 |
| 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/h8,14-18,20-21,25-26H,4-7,9-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,20+,21+,23+,24-/m1/s1 |
| InChIKey | GOFALKRKFDZKRN-AIFAXGCRSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3alpha,12alpha-Dihydroxy-5beta-chol-14-en-24-oic Acid (CHEBI:196604) is a cholanoid (CHEBI:36078) |
| IUPAC Name |
|---|
| (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid |
| Manual Xrefs | Databases |
|---|---|
| LMST04010347 | LIPID MAPS |
| 4447182 | ChemSpider |