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CHEBI:187534 - 5alpha,6beta-dihydroxy-24-methylenecholestan-3-one

ChEBI IDCHEBI:187534
ChEBI Name5alpha,6beta-dihydroxy-24-methylenecholestan-3-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H46O3
Net Charge0
Average Mass430.673
Monoisotopic Mass430.34470
SMILES[H][C@@]12C[C@@H](O)[C@@]3(O)CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CCC(=C)C(C)C
InChIInChI=1S/C28H46O3/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-15-25(30)28(31)16-20(29)11-14-27(28,6)24(21)12-13-26(22,23)5/h17,19,21-25,30-31H,3,7-16H2,1-2,4-6H3/t19-,21+,22-,23+,24+,25-,26-,27-,28+/m1/s1
InChIKeyWRDZSRNTPLFBER-HNYNIOICSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
5alpha,6beta-dihydroxy-24-methylenecholestan-3-one (CHEBI:187534) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(5R,6R,8S,9S,10R,13R,14S,17R)-5,6-dihydroxy-10,13-dimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
Manual XrefsDatabases
113385198ChemSpider
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