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CHEBI:48943 - isobutyraldehyde

ChEBI IDCHEBI:48943
ChEBI Nameisobutyraldehyde
Stars
DefinitionA member of the class of propanals that is propanal substituted by a methyl group at position 2.
Last Modified14 December 2016
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC4H8O
Net Charge0
Average Mass72.107
Monoisotopic Mass72.05751
SMILES[H]C(=O)C(C)C
InChIInChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3
InChIKeyAMIMRNSIRUDHCM-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Roles Classification
Biological Role:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
2-methylpropionaldehydeChemIDplus
isobutylaldehydeChemIDplus
isobutyric aldehydeChemIDplus
α-methylpropionaldehydeNIST Chemistry WebBook
isobutanalChemIDplus
UniProt Name  Source
2-methylpropanalUniProt
Manual XrefsDatabases
IsobutyraldehydeWikipedia
WO2013192237Patent
CPD-7000MetaCyc
HMDB0031243HMDB
Registry NumbersSources
Gmelin:1658Gmelin
Reaxys:605330Reaxys
CAS:78-84-2ChemIDplus
CAS:78-84-2NIST Chemistry WebBook
Citations