CHEBI:48943 - isobutyraldehyde

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ChEBI Name isobutyraldehyde
ChEBI ID CHEBI:48943
Definition A member of the class of propanals that is propanal substituted by a methyl group at position 2.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C4H8O
Net Charge 0
Average Mass 72.10572
Monoisotopic Mass 72.058
InChI InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3
InChIKey AMIMRNSIRUDHCM-UHFFFAOYSA-N
SMILES [H]C(=O)C(C)C
Metabolite of Species Details
Saccharomyces cerevisiae (NCBI:4932) 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 ).
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ChEBI Ontology
Outgoing isobutyraldehyde (CHEBI:48943) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
isobutyraldehyde (CHEBI:48943) is a 2-methyl-branched fatty aldehyde (CHEBI:49188)
isobutyraldehyde (CHEBI:48943) is a propanals (CHEBI:26282)
Incoming 2-hydroxy-2-methylpropanal (CHEBI:131846) has functional parent isobutyraldehyde (CHEBI:48943)
2-methylpropanal oxime (CHEBI:17502) has functional parent isobutyraldehyde (CHEBI:48943)
IUPAC Name
2-methylpropanal
Synonyms Sources
2-methylpropanal UniProt
2-methylpropionaldehyde ChemIDplus
α-methylpropionaldehyde NIST Chemistry WebBook
isobutanal ChemIDplus
isobutylaldehyde ChemIDplus
isobutyric aldehyde ChemIDplus
Database Links Databases
CPD-7000 MetaCyc
HMDB0031243 HMDB
Isobutyraldehyde Wikipedia
WO2013192237 Patent
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Registry Numbers Types Sources
1658 Gmelin Registry Number Gmelin
605330 Reaxys Registry Number Reaxys
605330 Beilstein Registry Number Beilstein
78-84-2 CAS Registry Number NIST Chemistry WebBook
78-84-2 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
22731523 PubMed citation Europe PMC
22974724 PubMed citation Europe PMC
24397404 PubMed citation Europe PMC
Last Modified
14 December 2016