CHEBI:87772 - (4Z)-2-oxohept-4-enedioic acid

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ChEBI Name (4Z)-2-oxohept-4-enedioic acid ChEBI ID CHEBI:87772 ChEBI ASCII Name (4Z)-2-oxohept-4-enedioic acid Definition An oxo dicarboxylic acid that is (4Z)-hept-4-enedioic acid substituted at position 2 by an oxo 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 C7H8O5 Net Charge 0 Average Mass 172.136 Monoisotopic Mass 172.03717 InChI InChI=1S/C7H8O5/c8-5(7(11)12)3-1-2-4-6(9)10/h1-2H,3-4H2,(H,9,10)(H,11,12)/b2-1- InChIKey ICGKEQXHPZUYSF-UPHRSURJSA-N SMILES C(=C\CC(C(O)=O)=O)\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 ) View more via ChEBI Ontology ChEBI Ontology Outgoing (4Z)-2-oxohept-4-enedioic acid (CHEBI:87772) is a dicarboxylic fatty acid (CHEBI:189840) (4Z)-2-oxohept-4-enedioic acid (CHEBI:87772) is a olefinic compound (CHEBI:78840) (4Z)-2-oxohept-4-enedioic acid (CHEBI:87772) is a oxo dicarboxylic acid (CHEBI:36145) (4Z)-2-oxohept-4-enedioic acid (CHEBI:87772) is conjugate acid of (4Z)-2-oxohept-4-enedioate (CHEBI:87507) (4Z)-2-oxohept-4-enedioic acid (CHEBI:87772) is tautomer of (2Z,4Z)-2-hydroxyhepta-2,4-dienedioic acid (CHEBI:87771) Incoming (4Z)-2-oxohept-4-enedioate (CHEBI:87507) is conjugate base of (4Z)-2-oxohept-4-enedioic acid (CHEBI:87772) (2Z,4Z)-2-hydroxyhepta-2,4-dienedioic acid (CHEBI:87771) is tautomer of (4Z)-2-oxohept-4-enedioic acid (CHEBI:87772) IUPAC Name (3Z)-6-oxohept-3-enedioic acid Registry Number Type Source 8201887 Reaxys Registry Number Reaxys Last Modified 24 February 2022

General Comment 2015-09-03 See: Johnson, W.H., Hajipour, G. and Whitman, C.P. J. Am. Chem. Soc. 117, 8719-8726 (1995). DOI: 10.1021/ja00139a004.