CHEBI:87721 - (2E)-hexenoic acid

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ChEBI Name (2E)-hexenoic acid
ChEBI ID CHEBI:87721
ChEBI ASCII Name (2E)-hexenoic acid
Definition The (E)-stereoisomer of hexenoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C6H10O2
Net Charge 0
Average Mass 114.143
Monoisotopic Mass 114.06808
InChI InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h4-5H,2-3H2,1H3,(H,7,8)/b5-4+
InChIKey NIONDZDPPYHYKY-SNAWJCMRSA-N
SMILES C(/C=C/CCC)(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing (2E)-hexenoic acid (CHEBI:87721) has role metabolite (CHEBI:25212)
(2E)-hexenoic acid (CHEBI:87721) is a 2-hexenoic acid (CHEBI:61206)
(2E)-hexenoic acid (CHEBI:87721) is conjugate acid of (2E)-hexenoate (CHEBI:87722)
Incoming (2E)-3-methylhex-2-enoic acid (CHEBI:144845) has functional parent (2E)-hexenoic acid (CHEBI:87721)
(2E)-hexenoate (CHEBI:87722) is conjugate base of (2E)-hexenoic acid (CHEBI:87721)
IUPAC Name
(2E)-hex-2-enoic acid
Synonym Source
trans-2-Hexenoic acid ChemIDplus
Registry Numbers Types Sources
13419-69-7 CAS Registry Number NIST Chemistry WebBook
13419-69-7 CAS Registry Number ChemIDplus
1720443 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
25049052 PubMed citation Europe PMC
Last Modified
13 September 2019