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CHEBI:87050 - 4α-methyl-5α-cholest-8-en-3-one

Default Structure
ChEBI IDCHEBI:87050
ChEBI Name4α-methyl-5α-cholest-8-en-3-one
Stars
ASCII Name4alpha-methyl-5alpha-cholest-8-en-3-one
DefinitionA 3-oxo steroid that is 5α-cholest-8-en-3-one carrying an additional methyl substituent at position 4α.
Last Modified14 August 2015
Submitterabridge
DownloadsMolfile
FormulaC28H46O
Net Charge0
Average Mass398.675
Monoisotopic Mass398.35487
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CCCC(C)C)[C@@]1(C)CCC1=C2CC[C@@]2([H])[C@H](C)C(=O)CC[C@]12C
InChIInChI=1S/C28H46O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h18-20,22-24H,7-17H2,1-6H3/t19-,20+,22-,23+,24+,27-,28+/m1/s1
InChIKeySDZUXFFGOQZLPK-SINUOACOSA-N
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
4α-methyl-5α-cholest-8-en-3-one (CHEBI:87050) has role human metabolite (CHEBI:77746)
4α-methyl-5α-cholest-8-en-3-one (CHEBI:87050) is a 3-oxo steroid (CHEBI:47788)
4α-methyl-5α-cholest-8-en-3-one (CHEBI:87050) is a cholestanoid (CHEBI:50401)
IUPAC Name 
(4α,5α)-4-methylcholest-8-en-3-one
Synonym  Source
4alpha-methyl-5alpha-cholest-8-en-3-oneHMDB
UniProt Name  Source
4α-methyl-5α-cholest-8-en-3-oneUniProt
Manual XrefsDatabases
CPD-8614MetaCyc
HMDB0012174HMDB
LMST01010236LIPID MAPS