3-methylbutanal (CHEBI:16638)

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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

Supplier Information	eMolecules:531162, ZINC000003874778

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Formulae

C5H10O
C5H10O

Net Charge

Average Mass

86.13230

Monoisotopic Mass

86.07316

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.

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

Last Modified

07 February 2017