EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:187942 - 5beta-Chol-2-en-24-oic Acid

ChEBI IDCHEBI:187942
ChEBI Name5beta-Chol-2-en-24-oic Acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H38O2
Net Charge0
Average Mass358.566
Monoisotopic Mass358.28718
SMILES[H][C@@]12CC=CC[C@]1(C)[C@@]1([H])CC[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CCC(=O)O)[C@]1([H])CC2
InChIInChI=1S/C24H38O2/c1-16(7-12-22(25)26)19-10-11-20-18-9-8-17-6-4-5-14-23(17,2)21(18)13-15-24(19,20)3/h4-5,16-21H,6-15H2,1-3H3,(H,25,26)/t16-,17+,18+,19-,20+,21+,23+,24-/m1/s1
InChIKeyFZSKILMPRKPLJG-LVVAJZGHSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
5beta-Chol-2-en-24-oic Acid (CHEBI:187942) is a bile acid (CHEBI:3098)
IUPAC Name 
(4R)-4-[(5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Manual XrefsDatabases
4447028ChemSpider
LMST04010170LIPID MAPS