EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:196595 - 3alpha,12alpha-Dihydroxy-5beta-chol-8-en-24-oic Acid

ChEBI IDCHEBI:196595
ChEBI Name3alpha,12alpha-Dihydroxy-5beta-chol-8-en-24-oic Acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H38O4
Net Charge0
Average Mass390.564
Monoisotopic Mass390.27701
SMILES[H][C@]12CCC3=C(C[C@H](O)[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)CCC(=O)O)[C@@]1(C)CC[C@@H](O)C2
InChIInChI=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/h14-16,18-19,21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,18-,19+,21+,23+,24-/m1/s1
InChIKeyHXPKCTFDRSEFID-UMNDTTGPSA-N
ChEBI Ontology
Outgoing Relation(s)
3alpha,12alpha-Dihydroxy-5beta-chol-8-en-24-oic Acid (CHEBI:196595) is a cholanoid (CHEBI:36078)
IUPAC Name 
(4R)-4-[(3R,5R,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Manual XrefsDatabases
4447070ChemSpider
LMST04010223LIPID MAPS