CHEBI:37127 - 3-methylbut-2-enoic acid

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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.
Supplier Information
Download Molfile XML SDF
Formula C5H8O2
Net Charge 0
Average Mass 100.11582
Monoisotopic Mass 100.052
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 (Bronsted 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
Database Links 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 Waiting for Citations Types Sources
17200891 PubMed citation Europe PMC
5370660 PubMed citation Europe PMC
IND44433137 Agricola citation Europe PMC
Last Modified
07 December 2016