CHEBI:84978 - 2-ethylacrylic acid

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ChEBI Name 2-ethylacrylic acid ChEBI ID CHEBI:84978 Definition An α,β-unsaturated monocarboxylic acid that is acrylic acid in which the hydrogen at position 2 is substituted by an ethyl group. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C5H8O2 Net Charge 0 Average Mass 100.11580 Monoisotopic Mass 100.05243 InChI InChI=1S/C5H8O2/c1-3-4(2)5(6)7/h2-3H2,1H3,(H,6,7) InChIKey WROUWQQRXUBECT-UHFFFAOYSA-N SMILES CCC(=C)C(O)=O Metabolite of Species Details Sus scrofa domesticus (NCBI:txid9825) See: DOI Sus scrofa domesticus (NCBI:txid9825) See: MetaboLights Study 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): mammalian metabolite Any animal metabolite produced during a metabolic reaction in mammals. View more via ChEBI Ontology ChEBI Ontology Outgoing 2-ethylacrylic acid (CHEBI:84978) has functional parent acrylic acid (CHEBI:18308) 2-ethylacrylic acid (CHEBI:84978) has role mammalian metabolite (CHEBI:75768) 2-ethylacrylic acid (CHEBI:84978) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020) 2-ethylacrylic acid (CHEBI:84978) is conjugate acid of 2-ethylacrylate (CHEBI:84979) Incoming 2-ethylacrylate (CHEBI:84979) is conjugate base of 2-ethylacrylic acid (CHEBI:84978) IUPAC Name 2-methylidenebutanoic acid Synonyms Sources 2-ethyl-2-propenoic acid LIPID MAPS 2-Ethylpropenoic acid ChemIDplus α-methylene-butanoic acid ChEBI Manual Xrefs Databases HMDB0001862 HMDB LMFA01020111 LIPID MAPS View more database links Registry Numbers Types Sources 1740925 Reaxys Registry Number Reaxys 3586-58-1 CAS Registry Number NIST Chemistry WebBook 3586-58-1 CAS Registry Number ChemIDplus Citations Types Sources 12270159 PubMed citation Europe PMC 15139309 PubMed citation Europe PMC Last Modified 23 February 2015