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CHEBI:49283 - 3-hexenoic acid

ChEBI IDCHEBI:49283
ChEBI Name3-hexenoic acid
Stars
DefinitionA hexenoic acid with the double bond at position 3.
Last Modified19 August 2015
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC6H10O2
Net Charge0
Average Mass114.144
Monoisotopic Mass114.06808
SMILES[H]C(=CCC(=O)O)CC
InChIInChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h3-4H,2,5H2,1H3,(H,7,8)
InChIKeyXXHDAWYDNSXJQM-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
3-hexenoic acid (CHEBI:49283) has role plant metabolite (CHEBI:76924)
3-hexenoic acid (CHEBI:49283) is a hexenoic acid (CHEBI:24580)
Incoming Relation(s)
6-hydroxyhex-3-enoic acid (CHEBI:49293) has functional parent 3-hexenoic acid (CHEBI:49283)
ethyl 3-hexenoate (CHEBI:87560) has functional parent 3-hexenoic acid (CHEBI:49283)
cis-hex-3-enoic acid (CHEBI:49284) is a 3-hexenoic acid (CHEBI:49283)
trans-hex-3-enoic acid (CHEBI:49285) is a 3-hexenoic acid (CHEBI:49283)
IUPAC Name 
hex-3-enoic acid
Synonyms  Source
3-Hexenoic acidChemIDplus
Hydrosorbic acidChemIDplus
3-hexenoic acidsChEBI
hex-3-enoic acidsChEBI
β.γ-HexensäureChEBI
β,γ-hexenoic acidChEBI
Manual XrefsDatabases
CN101200421Patent
Registry NumbersSources
Reaxys:1745294Reaxys
CAS:4219-24-3ChemIDplus
Citations