CHEBI:17998 - 4-methylpentanal

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-methylpentanal
ChEBI ID CHEBI:17998
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:1901, CHEBI:44083, CHEBI:12028, CHEBI:20449
Supplier Information
Download Molfile XML SDF
more structures >>
Formulae C6H12O
C6H12O
Net Charge 0
Average Mass 100.159
Monoisotopic Mass 100.089
InChI InChI=1S/C6H12O/c1-6(2)4-3-5-7/h5-6H,3-4H2,1-2H3
InChIKey JGEGJYXHCFUMJF-UHFFFAOYSA-N
SMILES C(C(C)C)CC=O
Metabolite of Species Details
Mus musculus (NCBI:10090) Source: BioModels - MODEL1507180067 See: PubMed
Homo sapiens (NCBI:9606) See: DOI
Roles Classification
Biological Role(s): 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).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
4-Methyl valeraldehyde ChemIDplus
4-Methylpentanal KEGG COMPOUND
4-methylpentanal UniProt
Isocaproaldehyde KEGG COMPOUND
Isohexanal KEGG COMPOUND
Database Link Database
C02373 KEGG COMPOUND
View more database links
Registry Number Type Source
1119-16-0 CAS Registry Number KEGG COMPOUND
Last Modified
27 January 2016