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ChEBI
> Main
CHEBI:36432 - 2-methylbut-2-enoic acid
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ChEBI Name
2-methylbut-2-enoic acid
ChEBI ID
CHEBI:36432
Definition
A branched-chain fatty acid consisting of 2-butenoic acid having a methyl group at position 2.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C5H8O2
Net Charge
0
Average Mass
100.11582
Monoisotopic Mass
100.05243
InChI
InChI=1S/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)
InChIKey
UIERETOOQGIECD-UHFFFAOYSA-N
SMILES
[H]C(C)=C(C)C(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-methylbut-2-enoic acid (
CHEBI:36432
)
has functional parent
2-butenoic acid (
CHEBI:17217
)
2-methylbut-2-enoic acid (
CHEBI:36432
)
has role
metabolite (
CHEBI:25212
)
2-methylbut-2-enoic acid (
CHEBI:36432
)
is a
α,β-unsaturated monocarboxylic acid (
CHEBI:79020
)
2-methylbut-2-enoic acid (
CHEBI:36432
)
is a
methyl-branched fatty acid (
CHEBI:62499
)
2-methylbut-2-enoic acid (
CHEBI:36432
)
is a
monounsaturated fatty acid (
CHEBI:25413
)
2-methylbut-2-enoic acid (
CHEBI:36432
)
is a
short-chain fatty acid (
CHEBI:26666
)
Incoming
2-methylbut-2-enoyl-coenzyme A (
CHEBI:11614
)
has functional parent
2-methylbut-2-enoic acid (
CHEBI:36432
)
angelic acid (
CHEBI:36431
)
is a
2-methylbut-2-enoic acid (
CHEBI:36432
)
heliosupine (
CHEBI:5641
)
is a
2-methylbut-2-enoic acid (
CHEBI:36432
)
tiglic acid (
CHEBI:9592
)
is a
2-methylbut-2-enoic acid (
CHEBI:36432
)
IUPAC Name
2-methylbut-2-enoic acid
Synonyms
Sources
2,3-dimethylacrylic acid
ChEBI
2-methyl-2-butenoic acid
ChemIDplus
2-methylcrotonic acid
ChEBI
α-methylcrotonic acid
NIST Chemistry WebBook
methylmethacrylic acid
ChEBI
tiglic acid
ChEBI
Registry Numbers
Types
Sources
13201-46-2
CAS Registry Number
ChemIDplus
13201-46-2
CAS Registry Number
NIST Chemistry WebBook
217675
Gmelin Registry Number
Gmelin
8541120
Reaxys Registry Number
Reaxys
8541120
Beilstein Registry Number
Beilstein
Citation
Type
Source
7558511
PubMed citation
Europe PMC
Last Modified
08 July 2014