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CHEBI:193266 - 3beta,6alpha-dihydroxy-5alpha-cholesta-9(11),24-dien-23-one

ChEBI IDCHEBI:193266
ChEBI Name3beta,6alpha-dihydroxy-5alpha-cholesta-9(11),24-dien-23-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H42O3
Net Charge0
Average Mass414.630
Monoisotopic Mass414.31340
SMILES[H][C@]12C[C@@H](O)CCC1(C)C1=CCC3(C)C(C(C)CC(=O)C=C(C)C)CCC3C1C[C@@H]2O
InChIInChI=1S/C27H42O3/c1-16(2)12-19(29)13-17(3)21-6-7-22-20-15-25(30)24-14-18(28)8-10-27(24,5)23(20)9-11-26(21,22)4/h9,12,17-18,20-22,24-25,28,30H,6-8,10-11,13-15H2,1-5H3/t17?,18-,20?,21?,22?,24+,25-,26?,27?/m0/s1
InChIKeyJMTGPYQQNHOZAL-MQQVFALHSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
3beta,6alpha-dihydroxy-5alpha-cholesta-9(11),24-dien-23-one (CHEBI:193266) is a cholanoid (CHEBI:36078)
IUPAC Name 
6-[(3S,5S,6S)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-en-4-one
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