EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:173389 - 2-Methyl-3-pentenoic acid

ChEBI IDCHEBI:173389
ChEBI Name2-Methyl-3-pentenoic acid
Stars
Last Modified14 January 2022
SubmitterMetaboLights
DownloadsMolfile
FormulaC6H10O2
Net Charge0
Average Mass114.144
Monoisotopic Mass114.06808
SMILESC/C=C/C(C)C(=O)O
InChIInChI=1S/C6H10O2/c1-3-4-5(2)6(7)8/h3-5H,1-2H3,(H,7,8)/b4-3+
InChIKeyNFRJJFMXYKSRPK-ONEGZZNKSA-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)
2-Methyl-3-pentenoic acid (CHEBI:173389) is a methyl-branched fatty acid (CHEBI:62499)
Incoming Relation(s)
ethyl 2-methyl-3-pentenoate (CHEBI:180294) has functional parent 2-Methyl-3-pentenoic acid (CHEBI:173389)
IUPAC Name 
(E)-2-methylpent-3-enoic acid
Manual XrefsDatabases
4940555ChemSpider
Registry NumbersSources
CAS:37674-63-8ChemIDplus