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

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ChEBI Name 4α-methyl-5α-cholest-8-en-3-one
ChEBI ID CHEBI:87050
ChEBI ASCII Name 4alpha-methyl-5alpha-cholest-8-en-3-one
Definition A 3-oxo steroid that is 5α-cholest-8-en-3-one carrying an additional methyl substituent at position 4α.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter abridge
Supplier Information
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Formula C28H46O
Net Charge 0
Average Mass 398.66420
Monoisotopic Mass 398.35487
InChI InChI=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
InChIKey SDZUXFFGOQZLPK-SINUOACOSA-N
SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]1CC3
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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
Synonyms Sources
4α-methyl-5α-cholest-8-en-3-one UniProt
4alpha-methyl-5alpha-cholest-8-en-3-one HMDB
Manual Xrefs Databases
CPD-8614 MetaCyc
HMDB0012174 HMDB
LMST01010236 LIPID MAPS
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Last Modified
14 August 2015