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CHEBI:186966 - 9-oxo-24-methylene-9,11-seco-cholest-5-en-3beta,11-diol

ChEBI IDCHEBI:186966
ChEBI Name9-oxo-24-methylene-9,11-seco-cholest-5-en-3beta,11-diol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H46O3
Net Charge0
Average Mass430.673
Monoisotopic Mass430.34470
SMILES[H][C@@]1([C@]2([H])CC=C3C[C@@H](O)CC[C@]3(C)C2=O)CC[C@]([H])([C@H](C)CCC(=C)C(C)C)[C@@]1(C)CCO
InChIInChI=1S/C28H46O3/c1-18(2)19(3)7-8-20(4)24-11-12-25(28(24,6)15-16-29)23-10-9-21-17-22(30)13-14-27(21,5)26(23)31/h9,18,20,22-25,29-30H,3,7-8,10-17H2,1-2,4-6H3/t20-,22+,23+,24-,25+,27+,28-/m1/s1
InChIKeyKYURAZBDCWKPSB-CIPFQRFKSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
9-oxo-24-methylene-9,11-seco-cholest-5-en-3beta,11-diol (CHEBI:186966) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(2S,6S,8aS)-6-hydroxy-2-[(1S,2R,3R)-2-(2-hydroxyethyl)-2-methyl-3-[(2R)-6-methyl-5-methylideneheptan-2-yl]cyclopentyl]-8a-methyl-2,3,5,6,7,8-hexahydronaphthalen-1-one
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