CHEBI:36432 - 2-methylbut-2-enoic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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.
Supplier Information eMolecules:592066, ZINC000004557048
Download Molfile XML SDF
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 (Bronsted 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
Citation
Schlottfeldt J, Blazina LR, Wannmacher CM, Wajner M (1995)
The effect of organic acids on phytohaemagglutinin-activated proliferation of human lymphocytes in vitro.
International journal of immunopharmacology 17, 175-182 [PubMed:7558511]
[show Abstract]
Last Modified
08 July 2014