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CHEBI:16182 - 2-methylbutanal

ChEBI IDCHEBI:16182
ChEBI Name2-methylbutanal
Stars
DefinitionA methylbutanal in which the methyl substituent is at position 2.
Secondary ChEBI IDsCHEBI:1200, CHEBI:11615, CHEBI:19692
Last Modified1 March 2017
DownloadsMolfile
FormulaC5H10O
Net Charge0
Average Mass86.134
Monoisotopic Mass86.07316
SMILES[H]C(=O)C(C)CC
InChIInChI=1S/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3
InChIKeyBYGQBDHUGHBGMD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Olea europaea (ncbitaxon:4146) - PubMed (24295708)
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Roles Classification
Biological Roles:
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.
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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
Synonyms  Source
2-MethylbutanalKEGG COMPOUND
2-MethylbutyraldehydeKEGG COMPOUND
2-methylbutyraldehydeChEBI
UniProt Name  Source
2-methylbutanalUniProt
Manual XrefsDatabases
C02223KEGG COMPOUND
HMDB0031526HMDB
Registry NumbersSources
Reaxys:1633540Reaxys
CAS:96-17-3KEGG COMPOUND
CAS:96-17-3ChemIDplus
Citations