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CHEBI:187192 - 24-methylene-cholestan-3beta-ol

ChEBI IDCHEBI:187192
ChEBI Name24-methylene-cholestan-3beta-ol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H48O
Net Charge0
Average Mass400.691
Monoisotopic Mass400.37052
SMILES[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)CCC(=C)C(C)C)[C@@]1(C)CC[C@H](O)C2
InChIInChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h18,20-26,29H,3,7-17H2,1-2,4-6H3/t20-,21+,22+,23+,24-,25+,26+,27+,28-/m1/s1
InChIKeyNYWZDGGKTLARLX-PGAJIAHISA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
24-methylene-cholestan-3beta-ol (CHEBI:187192) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
Manual XrefsDatabases
4446759ChemSpider
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