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CHEBI:16135 - isobutyric acid

ChEBI IDCHEBI:16135
ChEBI Nameisobutyric acid
Stars
DefinitionA branched fatty acid comprising propanoic acid carrying a methyl branch at C-2.
Secondary ChEBI IDsCHEBI:1212, CHEBI:19710, CHEBI:25337, CHEBI:40653, CHEBI:43397
Last Modified17 February 2020
DownloadsMolfile

FormulaC4H8O2
Net Charge0
Average Mass88.106
Monoisotopic Mass88.05243
SMILESCC(C)C(=O)O
InChIInChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)
InChIKeyKQNPFQTWMSNSAP-UHFFFAOYSA-N

Wikipedia
Species of MetaboliteComponentSourceComments
Lithospermum erythrorhizon (ncbitaxon:34254) root (BTO:0001188) DOI (10.1007/s11418-007-0221-0)
Daphnia magna (ncbitaxon:35525) - Article (Mixtures of similarly acting compounds in Daphnia magna: From gene to metabolite and beyondTine Vandenbrouck, Oliver A.H. Jones, Nathalie Dom, Julian L. Griffin, Wim De CoenEnvironment International 36 (2010) 254-268)
Roles Classification

ChEBI Ontology
IUPAC Name 
2-methylpropanoic acid
Synonyms  Source
2-MethylpropanoateKEGG COMPOUND
2-Methylpropanoic acidKEGG COMPOUND
Isobutyric acidKEGG COMPOUND
IsobutanoateKEGG COMPOUND
Dimethylacetic acidKEGG COMPOUND
IsobutyrateKEGG COMPOUND
Manual XrefsDatabases
C02632KEGG COMPOUND
c0383UM-BBD
ALQPDBeChem
LMFA01020071LIPID MAPS
DB02531DrugBank
C00029462KNApSAcK
Isobutyric_acidWikipedia
ISOBUTYRATEMetaCyc
HMDB0001873HMDB
3128PPDB
3128BPDB
Registry NumbersSources
Gmelin:49630Gmelin
Reaxys:635770Reaxys
CAS:79-31-2KEGG COMPOUND
CAS:79-31-2ChemIDplus
CAS:79-31-2NIST Chemistry WebBook
Citations