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CHEBI:184516 - 3beta,12alpha-Dihydroxychol-5-en-24-oic Acid

ChEBI IDCHEBI:184516
ChEBI Name3beta,12alpha-Dihydroxychol-5-en-24-oic Acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H38O4
Net Charge0
Average Mass390.564
Monoisotopic Mass390.27701
SMILES[H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])C[C@H](O)[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CCC(=O)O
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/h5,14,16-21,25-26H,4,6-13H2,1-3H3,(H,27,28)/t14-,16+,17+,18-,19+,20+,21+,23+,24-/m1/s1
InChIKeyBSNCZSKCISVTHY-DNMQWNDWSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
3beta,12alpha-Dihydroxychol-5-en-24-oic Acid (CHEBI:184516) is a cholanoid (CHEBI:36078)
IUPAC Name 
(4R)-4-[(3S,8R,9S,10R,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Manual XrefsDatabases
LMST04010219LIPID MAPS
4447067ChemSpider
Registry NumbersSources
CAS:63266-92-2ChemIDplus