CHEBI:1506 - 3-fumarylpyruvic acid

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 3-fumarylpyruvic acid ChEBI ID CHEBI:1506 Definition A 4,6-dioxohept-2-enedioic acid that is pyruvic acid substituted at position 3 by a fumaryl 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 C7H6O6 Net Charge 0 Average Mass 186.11894 Monoisotopic Mass 186.01644 InChI InChI=1S/C7H6O6/c8-4(1-2-6(10)11)3-5(9)7(12)13/h1-2H,3H2,(H,10,11)(H,12,13)/b2-1+ InChIKey AZCFLHZUFANAOR-OWOJBTEDSA-N SMILES OC(=O)\C=C\C(=O)CC(=O)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 ) View more via ChEBI Ontology ChEBI Ontology Outgoing 3-fumarylpyruvic acid (CHEBI:1506) has functional parent pyruvic acid (CHEBI:32816) 3-fumarylpyruvic acid (CHEBI:1506) is a β-diketone (CHEBI:67265) 3-fumarylpyruvic acid (CHEBI:1506) is a 4,6-dioxohept-2-enedioic acid (CHEBI:47940) 3-fumarylpyruvic acid (CHEBI:1506) is conjugate acid of 3-fumarylpyruvate(2−) (CHEBI:16854) Incoming 3-fumarylpyruvate(2−) (CHEBI:16854) is conjugate base of 3-fumarylpyruvic acid (CHEBI:1506) IUPAC Name (2E)-4,6-dioxohept-2-enedioic acid Manual Xref Database C02514 KEGG COMPOUND View more database links Registry Number Type Source 1725757 Reaxys Registry Number Reaxys Last Modified 02 February 2015