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CHEBI:190335 - 3alpha,12alpha-Dihydroxy-5beta-chol-7-en-24-oic Acid

ChEBI IDCHEBI:190335
ChEBI Name3alpha,12alpha-Dihydroxy-5beta-chol-7-en-24-oic Acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H38O4
Net Charge0
Average Mass390.564
Monoisotopic Mass390.27701
SMILES[H][C@]12CC=C3[C@]([H])(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/h6,14-16,18-21,25-26H,4-5,7-13H2,1-3H3,(H,27,28)/t14-,15-,16-,18-,19+,20+,21+,23+,24-/m1/s1
InChIKeyOZHBCCBNHOZTLX-NPSARUHUSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) intestinal content (NCIT:C189653) MetaboLights (MTBLS4101) Strain: C57BL/6J  [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
3alpha,12alpha-Dihydroxy-5beta-chol-7-en-24-oic Acid (CHEBI:190335) is a cholanoid (CHEBI:36078)
IUPAC Name 
(4R)-4-[(3R,5R,9R,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
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4447069ChemSpider
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