EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:178220 - Isopropenylacetic acid

Default Structure
ChEBI IDCHEBI:178220
ChEBI NameIsopropenylacetic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC5H8O2
Net Charge0
Average Mass100.117
Monoisotopic Mass100.05243
SMILESC=C(C)CC(=O)O
InChIInChI=1S/C5H8O2/c1-4(2)3-5(6)7/h1,3H2,2H3,(H,6,7)
InChIKeyIGRURXZWJCSNKU-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Isopropenylacetic acid (CHEBI:178220) is a methyl-branched fatty acid (CHEBI:62499)
IUPAC Name 
3-methylbut-3-enoic acid
Manual XrefsDatabases
369638ChemSpider
HMDB0170858HMDB
LMFA01020110LIPID MAPS
Registry NumbersSources
CAS:1617-31-8ChemIDplus