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

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

Default Structure

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ChEBI ID	CHEBI:82686
ChEBI Name	2-oxohept-4-ene-1,7-dioic acid
Stars
Definition	An oxo dicarboxylic acid that is 2-oxohept-4-ene in which the two terminal methyl groups are replaced by carboxy groups.
Last Modified	24 February 2022
Submitter	Steve
Downloads	Molfile

Formula	C7H8O5
Net Charge	0
Average Mass	172.136
Monoisotopic Mass	172.03717
SMILES	O=C(O)C/C=C/CC(=O)C(=O)O
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-OWOJBTEDSA-N

Roles Classification

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 acid	ChEBI