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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:87721 - (2
E
)-hexenoic acid
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ChEBI Name
(2
E
)-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.
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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 (Br
o
nsted 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
(2
E
)-hexenoic acid (
CHEBI:87721
)
has role
metabolite (
CHEBI:25212
)
(2
E
)-hexenoic acid (
CHEBI:87721
)
is a
2-hexenoic acid (
CHEBI:61206
)
(2
E
)-hexenoic acid (
CHEBI:87721
)
is conjugate acid of
(2
E
)-hexenoate (
CHEBI:87722
)
Incoming
(2
E
)-3-methylhex-2-enoic acid (
CHEBI:144845
)
has functional parent
(2
E
)-hexenoic acid (
CHEBI:87721
)
(2
E
)-hexenoate (
CHEBI:87722
)
is conjugate base of
(2
E
)-hexenoic acid (
CHEBI:87721
)
IUPAC Name
(2
E
)-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
Type
Source
25049052
PubMed citation
Europe PMC
Last Modified
13 September 2019