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CHEBI:17998 - 4-methylpentanal

ChEBI IDCHEBI:17998
ChEBI Name4-methylpentanal
Stars
Secondary ChEBI IDsCHEBI:1901, CHEBI:12028, CHEBI:20449, CHEBI:44083
Last Modified27 January 2016
DownloadsMolfile
FormulaC6H12O
Net Charge0
Average Mass100.161
Monoisotopic Mass100.08882
SMILESCC(C)CCC=O
InChIInChI=1S/C6H12O/c1-6(2)4-3-5-7/h5-6H,3-4H2,1-2H3
InChIKeyJGEGJYXHCFUMJF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
4-methylpentanal (CHEBI:17998) has role human metabolite (CHEBI:77746)
4-methylpentanal (CHEBI:17998) has role mouse metabolite (CHEBI:75771)
4-methylpentanal (CHEBI:17998) is a α-CH2-containing aldehyde (CHEBI:73359)
IUPAC Name 
4-methylpentanal
Synonyms  Source
4-MethylpentanalKEGG COMPOUND
IsocaproaldehydeKEGG COMPOUND
IsohexanalKEGG COMPOUND
4-Methyl valeraldehydeChemIDplus
UniProt Name  Source
4-methylpentanalUniProt
Manual XrefsDatabases
C02373KEGG COMPOUND
C02373KEGG COMPOUND
Registry NumbersSources
CAS:1119-16-0KEGG COMPOUND