CHEBI:16638 - 3-methylbutanal

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ChEBI Name 3-methylbutanal
ChEBI ID CHEBI:16638
Definition A methylbutanal that is butanal substituted by a methyl group at position 3. It occurs as a volatile constituent in olives.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:20124, CHEBI:11854, CHEBI:1595
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Formulae C5H10O
C5H10O
Net Charge 0
Average Mass 86.13230
Monoisotopic Mass 86.073
InChI InChI=1S/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3
InChIKey YGHRJJRRZDOVPD-UHFFFAOYSA-N
SMILES CC(C)CC=O
Metabolite of Species Details
Saccharomyces cerevisiae (NCBI:txid4932) Source: yeast.sf.net See: PubMed
Roles Classification
Biological Role(s): Saccharomyces cerevisiae metabolite
Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
flavouring agent
A food additive that is used to added improve the taste or odour of a food.
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
volatile oil component
Any plant metabolite that is found naturally as a component of a volatile oil.
Application(s): flavouring agent
A food additive that is used to added improve the taste or odour of a food.
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ChEBI Ontology
Outgoing 3-methylbutanal (CHEBI:16638) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
3-methylbutanal (CHEBI:16638) has role flavouring agent (CHEBI:35617)
3-methylbutanal (CHEBI:16638) has role plant metabolite (CHEBI:76924)
3-methylbutanal (CHEBI:16638) has role volatile oil component (CHEBI:27311)
3-methylbutanal (CHEBI:16638) is a methylbutanal (CHEBI:25282)
IUPAC Name
3-methylbutanal
Synonyms Sources
3-Methylbutanal KEGG COMPOUND
3-methylbutanal UniProt
3-methylbutyraldehyde ChEBI
β-Methylbutanal NIST Chemistry WebBook
iso-C4H9CHO NIST Chemistry WebBook
Isoamyl aldehyde ChemIDplus
Isopentaldehyde ChemIDplus
Isovaleral ChemIDplus
Isovaleraldehyde KEGG COMPOUND
Isovalerylaldehyde ChemIDplus
Manual Xrefs Databases
C07329 KEGG COMPOUND
CPD-7031 MetaCyc
HMDB0006478 HMDB
Isovaleraldehyde Wikipedia
View more database links
Registry Numbers Types Sources
590-86-3 CAS Registry Number KEGG COMPOUND
590-86-3 CAS Registry Number ChemIDplus
773692 Beilstein Registry Number Beilstein
773692 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
23182362 PubMed citation Europe PMC
24295708 PubMed citation Europe PMC
Last Modified
07 February 2017