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CHEBI:82686 - 2-oxohept-4-ene-1,7-dioic acid

ChEBI IDCHEBI:82686
ChEBI Name2-oxohept-4-ene-1,7-dioic acid
Stars
DefinitionAn oxo dicarboxylic acid that is 2-oxohept-4-ene in which the two terminal methyl groups are replaced by carboxy groups.
Last Modified24 February 2022
SubmitterSteve
DownloadsMolfile
FormulaC7H8O5
Net Charge0
Average Mass172.136
Monoisotopic Mass172.03717
SMILESO=C(O)C/C=C/CC(=O)C(=O)O
InChIInChI=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+
InChIKeyICGKEQXHPZUYSF-OWOJBTEDSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2-oxohept-4-ene-1,7-dioic acid (CHEBI:82686) is a dicarboxylic fatty acid (CHEBI:189840)
2-oxohept-4-ene-1,7-dioic acid (CHEBI:82686) is a olefinic compound (CHEBI:78840)
2-oxohept-4-ene-1,7-dioic acid (CHEBI:82686) is a oxo dicarboxylic acid (CHEBI:36145)
2-oxohept-4-ene-1,7-dioic acid (CHEBI:82686) is conjugate acid of 2-oxohept-4-ene-1,7-dioate (CHEBI:78627)
2-oxohept-4-ene-1,7-dioic acid (CHEBI:82686) is tautomer of 2-hydroxyhepta-2,4-dienedioic acid (CHEBI:1162)
Incoming Relation(s)
2-oxohept-4-ene-1,7-dioate (CHEBI:78627) is conjugate base of 2-oxohept-4-ene-1,7-dioic acid (CHEBI:82686)
2-hydroxyhepta-2,4-dienedioic acid (CHEBI:1162) is tautomer of 2-oxohept-4-ene-1,7-dioic acid (CHEBI:82686)
IUPAC Name 
(3E)-6-oxohept-3-enedioic acid
Synonym  Source
2-ketohept-4-ene-1,7-dioic acidChEBI