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CHEBI:87721 - (2E)-hexenoic acid

ChEBI IDCHEBI:87721
ChEBI Name(2E)-hexenoic acid
Stars
ASCII Name(2E)-hexenoic acid
DefinitionThe (E)-stereoisomer of hexenoic acid.
Last Modified13 September 2019
Submitternamrata
DownloadsMolfile
FormulaC6H10O2
Net Charge0
Average Mass114.144
Monoisotopic Mass114.06808
SMILESCCC/C=C/C(=O)O
InChIInChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h4-5H,2-3H2,1H3,(H,7,8)/b5-4+
InChIKeyNIONDZDPPYHYKY-SNAWJCMRSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
(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 Relation(s)
(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 acidChemIDplus
Registry NumbersSources
Reaxys:1720443Reaxys
CAS:13419-69-7ChemIDplus
CAS:13419-69-7NIST Chemistry WebBook
Citations