2-methylbutanal (CHEBI:16182)

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ChEBI Name	2-methylbutanal

ChEBI ID	CHEBI:16182

Definition	A methylbutanal in which the methyl substituent is at position 2.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:11615, CHEBI:1200, CHEBI:19692

Supplier Information	ChemicalBook:CB8698982, eMolecules:528327

Download	Molfile XML SDF

Formula

C5H10O

Net Charge

Average Mass

86.13230

Monoisotopic Mass

86.07316

InChI

InChI=1S/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3

InChIKey

BYGQBDHUGHBGMD-UHFFFAOYSA-N

SMILES

[H]C(=O)C(C)CC

Metabolite of Species	Details
Olea europaea (NCBI:txid4146)	See: PubMed
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 ). volatile oil component Any plant metabolite that is found naturally as a component of a volatile oil. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

ChEBI Ontology
Outgoing	2-methylbutanal (CHEBI:16182) has role Saccharomyces cerevisiae metabolite (CHEBI:75772) 2-methylbutanal (CHEBI:16182) has role plant metabolite (CHEBI:76924) 2-methylbutanal (CHEBI:16182) has role volatile oil component (CHEBI:27311) 2-methylbutanal (CHEBI:16182) is a 2-methyl-branched fatty aldehyde (CHEBI:49188) 2-methylbutanal (CHEBI:16182) is a methylbutanal (CHEBI:25282)

Incoming	2-methylbutanal oxime (CHEBI:61134) has functional parent 2-methylbutanal (CHEBI:16182) (S)-2-methylbutanal (CHEBI:88414) is a 2-methylbutanal (CHEBI:16182)

IUPAC Name

2-methylbutanal

Citations

Last Modified

01 March 2017