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ChEBI
> Main
CHEBI:37127 - 3-methylbut-2-enoic acid
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ChEBI Ontology
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ChEBI Name
3-methylbut-2-enoic acid
ChEBI ID
CHEBI:37127
Definition
A methyl-branched fatty acid that is but-2-enoic acid bearing a methyl substituent at position 3.
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/c1-4(2)3-5(6)7/h3H,1-2H3,(H,6,7)
InChIKey
YYPNJNDODFVZLE-UHFFFAOYSA-N
SMILES
CC(C)=CC(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):
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
3-methylbut-2-enoic acid (
CHEBI:37127
)
has functional parent
2-butenoic acid (
CHEBI:17217
)
3-methylbut-2-enoic acid (
CHEBI:37127
)
has role
plant metabolite (
CHEBI:76924
)
3-methylbut-2-enoic acid (
CHEBI:37127
)
is a
α,β-unsaturated monocarboxylic acid (
CHEBI:79020
)
3-methylbut-2-enoic acid (
CHEBI:37127
)
is a
methyl-branched fatty acid (
CHEBI:62499
)
3-methylbut-2-enoic acid (
CHEBI:37127
)
is a
monounsaturated fatty acid (
CHEBI:25413
)
3-methylbut-2-enoic acid (
CHEBI:37127
)
is a
short-chain fatty acid (
CHEBI:26666
)
Incoming
2-hydroxy-3-methyl-2-butenoic acid (
CHEBI:132177
)
has functional parent
3-methylbut-2-enoic acid (
CHEBI:37127
)
3-methylbut-2-enal (
CHEBI:15825
)
has functional parent
3-methylbut-2-enoic acid (
CHEBI:37127
)
3-methylbut-2-enoyl-CoA (
CHEBI:15486
)
has functional parent
3-methylbut-2-enoic acid (
CHEBI:37127
)
3-methylcrotonyl glycine (
CHEBI:68499
)
has functional parent
3-methylbut-2-enoic acid (
CHEBI:37127
)
4-senecioyloxymethyl-6,7-dimethoxycoumarin (
CHEBI:66463
)
has functional parent
3-methylbut-2-enoic acid (
CHEBI:37127
)
alvaradoin G (
CHEBI:65392
)
has functional parent
3-methylbut-2-enoic acid (
CHEBI:37127
)
alvaradoin H (
CHEBI:65393
)
has functional parent
3-methylbut-2-enoic acid (
CHEBI:37127
)
alvaradoin I (
CHEBI:65394
)
has functional parent
3-methylbut-2-enoic acid (
CHEBI:37127
)
alvaradoin J (
CHEBI:65395
)
has functional parent
3-methylbut-2-enoic acid (
CHEBI:37127
)
alvaradoin K (
CHEBI:65396
)
has functional parent
3-methylbut-2-enoic acid (
CHEBI:37127
)
alvaradoin L (
CHEBI:65397
)
has functional parent
3-methylbut-2-enoic acid (
CHEBI:37127
)
alvaradoin M (
CHEBI:65398
)
has functional parent
3-methylbut-2-enoic acid (
CHEBI:37127
)
cystodytin D (
CHEBI:65710
)
has functional parent
3-methylbut-2-enoic acid (
CHEBI:37127
)
cystodytin F (
CHEBI:65712
)
has functional parent
3-methylbut-2-enoic acid (
CHEBI:37127
)
cystodytin H (
CHEBI:65714
)
has functional parent
3-methylbut-2-enoic acid (
CHEBI:37127
)
gutolactone (
CHEBI:65989
)
has functional parent
3-methylbut-2-enoic acid (
CHEBI:37127
)
hookerianamide J (
CHEBI:66022
)
has functional parent
3-methylbut-2-enoic acid (
CHEBI:37127
)
vibsanin B (
CHEBI:131781
)
has functional parent
3-methylbut-2-enoic acid (
CHEBI:37127
)
IUPAC Name
3-methylbut-2-enoic acid
Synonyms
Sources
3,3-Dimethylacrylic acid
ChemIDplus
3-Methyl-2-butenoic acid
ChemIDplus
3-Methylcrotonic acid
ChemIDplus
β,β-Dimethacrylic acid
NIST Chemistry WebBook
β,β-Dimethylacrylic acid
NIST Chemistry WebBook
β-Methylcrotonic acid
NIST Chemistry WebBook
SENECIC ACID
NIST Chemistry WebBook
Senecioic acid
ChemIDplus
Manual Xrefs
Databases
CN101391948
Patent
LMFA01020097
LIPID MAPS
WO2012025270
Patent
View more database links
Registry Numbers
Types
Sources
1720305
Beilstein Registry Number
Beilstein
1720305
Reaxys Registry Number
Reaxys
541-47-9
CAS Registry Number
ChemIDplus
541-47-9
CAS Registry Number
NIST Chemistry WebBook
Citations
Types
Sources
17200891
PubMed citation
Europe PMC
5370660
PubMed citation
Europe PMC
IND44433137
Agricola citation
Europe PMC
Last Modified
07 December 2016