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CHEBI:1949 - 4α-methylzymosterol

ChEBI IDCHEBI:1949
ChEBI Name4α-methylzymosterol
Stars
ASCII Name4alpha-methylzymosterol
DefinitionA 3β-sterol that is zymosterol substituted by a 4α-methyl group.
Last Modified16 July 2021
DownloadsMolfile
FormulaC28H46O
Net Charge0
Average Mass398.675
Monoisotopic Mass398.35487
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CCC=C(C)C)[C@@]1(C)CCC1=C2CC[C@@]2([H])[C@H](C)[C@@H](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/h8,19-20,22-24,26,29H,7,9-17H2,1-6H3/t19-,20+,22-,23+,24+,26+,27-,28+/m1/s1
InChIKeyFOUJWBXBKVVHCJ-YIJYGBTNSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Saccharomyces cerevisiae (ncbitaxon:4932)
- PubMed (1449509)
- PubMed (24678285) Source: yeast.sf.net
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Roles:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
4α-methylzymosterol (CHEBI:1949) has functional parent zymosterol (CHEBI:18252)
4α-methylzymosterol (CHEBI:1949) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
4α-methylzymosterol (CHEBI:1949) has role human metabolite (CHEBI:77746)
4α-methylzymosterol (CHEBI:1949) has role mouse metabolite (CHEBI:75771)
4α-methylzymosterol (CHEBI:1949) is a 3β-sterol (CHEBI:35348)
4α-methylzymosterol (CHEBI:1949) is a cholestanoid (CHEBI:50401)
Incoming Relation(s)
4α-hydroxymethylzymosterol (CHEBI:146130) has functional parent 4α-methylzymosterol (CHEBI:1949)
IUPAC Name 
4α-methyl-5α-cholesta-8,24-dien-3β-ol
Synonyms  Source
4alpha-MethylzymosterolKEGG COMPOUND
(3β,4α,5α)-4-methylcholesta-8,24-dien-3-olChEBI
UniProt Name  Source
4α-methylzymosterolUniProt
Manual XrefsDatabases
C05103KEGG COMPOUND
4-METHYL-824-CHOLESTADIENOLMetaCyc
YMDB00611YMDB
Registry NumbersSources
Reaxys:2479857Reaxys
Citations