EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:188213 - 5beta-Chola-7,9(11)-dien-24-oic Acid

ChEBI IDCHEBI:188213
ChEBI Name5beta-Chola-7,9(11)-dien-24-oic Acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H36O2
Net Charge0
Average Mass356.550
Monoisotopic Mass356.27153
SMILES[H][C@]12CC=C3C(=CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)CCC(=O)O)[C@@]1(C)CCCC2
InChIInChI=1S/C24H36O2/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/h9,13,16-17,19-20H,4-8,10-12,14-15H2,1-3H3,(H,25,26)/t16-,17+,19-,20+,23+,24-/m1/s1
InChIKeyRZERMLCGRJKRCR-OPZPEFFGSA-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-Chola-7,9(11)-dien-24-oic Acid (CHEBI:188213) is a bile acid (CHEBI:3098)
IUPAC Name 
(4R)-4-[(5S,10S,13R,14R,17R)-10,13-dimethyl-2,3,4,5,6,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Manual XrefsDatabases
4447163ChemSpider
LMST04010328LIPID MAPS