CHEBI:144845 - (2E)-3-methylhex-2-enoic acid

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ChEBI Name (2E)-3-methylhex-2-enoic acid ChEBI ID CHEBI:144845 ChEBI ASCII Name (2E)-3-methylhex-2-enoic acid Definition A monounsaturated fatty acid that is (2E)-hexenoic acid in which the hydrogen at position 3 has been replaced by a methyl group. A malodourous component in the sweat of schizophrenics. 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 Wikipedia License Read full article at Wikipedia Formula C7H12O2 Net Charge 0 Average Mass 128.171 Monoisotopic Mass 128.08373 InChI InChI=1S/C7H12O2/c1-3-4-6(2)5-7(8)9/h5H,3-4H2,1-2H3,(H,8,9)/b6-5+ InChIKey NTWSIWWJPQHFTO-AATRIKPKSA-N SMILES CCC/C(=C/C(O)=O)/C Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing (2E)-3-methylhex-2-enoic acid (CHEBI:144845) has functional parent (2E)-hexenoic acid (CHEBI:87721) (2E)-3-methylhex-2-enoic acid (CHEBI:144845) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020) (2E)-3-methylhex-2-enoic acid (CHEBI:144845) is a monounsaturated fatty acid (CHEBI:25413) (2E)-3-methylhex-2-enoic acid (CHEBI:144845) is a short-chain fatty acid (CHEBI:26666) (2E)-3-methylhex-2-enoic acid (CHEBI:144845) is conjugate acid of (2E)-3-methylhex-2-enoate (CHEBI:143558) Incoming (2E)-3-methylhex-2-enoate (CHEBI:143558) is conjugate base of (2E)-3-methylhex-2-enoic acid (CHEBI:144845) IUPAC Name (2E)-3-methylhex-2-enoic acid Synonym Source trans-3-methyl-2-hexenoic acid MetaCyc Manual Xrefs Databases CPD-21073 MetaCyc Trans-3-Methyl-2-hexenoic_acid Wikipedia WO1993007853 Patent View more database links Registry Number Type Source 27960-21-0 CAS Registry Number ChemIDplus Citations Types Sources 12468539 PubMed citation SUBMITTER 17156856 PubMed citation Europe PMC 17193210 PubMed citation SUBMITTER 4686114 PubMed citation Europe PMC 4715330 PubMed citation Europe PMC 5062104 PubMed citation Europe PMC 5493894 PubMed citation Europe PMC 5818039 PubMed citation Europe PMC Last Modified 13 September 2019