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CHEBI:193604 - 2-methylbut-3-enoic acid

ChEBI IDCHEBI:193604
ChEBI Name2-methylbut-3-enoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC5H8O2
Net Charge0
Average Mass100.117
Monoisotopic Mass100.05243
SMILESC=CC(C)C(=O)O
InChIInChI=1S/C5H8O2/c1-3-4(2)5(6)7/h3-4H,1H2,2H3,(H,6,7)
InChIKeyGQWNPIKWYPQUPI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
synthetic microbial community (ncbitaxon:3229850) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3129)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2-methylbut-3-enoic acid (CHEBI:193604) is a branched-chain fatty acid (CHEBI:35819)
IUPAC Name 
2-methylbut-3-enoic acid
Manual XrefsDatabases
126228ChemSpider
Registry NumbersSources
CAS:53774-20-2ChemIDplus