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CHEBI:185626 - 5beta-Chol-11-en-24-oic Acid

ChEBI IDCHEBI:185626
ChEBI Name5beta-Chol-11-en-24-oic Acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H38O2
Net Charge0
Average Mass358.566
Monoisotopic Mass358.28718
SMILES[H][C@@]12CCCC[C@]1(C)[C@@]1([H])C=C[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/h13,15-21H,4-12,14H2,1-3H3,(H,25,26)/t16-,17+,18+,19-,20+,21+,23+,24-/m1/s1
InChIKeyAJPSTQMYBCEBQR-LVVAJZGHSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
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-11-en-24-oic Acid (CHEBI:185626) is a bile acid (CHEBI:3098)
IUPAC Name 
(4R)-4-[(5S,8S,9S,10S,13R,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
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