CHEBI:1162 - 2-hydroxyhepta-2,4-dienedioic acid

ChEBI IDCHEBI:1162
ChEBI Name2-hydroxyhepta-2,4-dienedioic acid
Stars
DefinitionA dicarboxylic acid that is 2-hydroxyhepta-2,4-diene in which the two terminal methyl groups are replaced by carboxy groups (the 2Z,4E-geoisomer).
Last Modified24 February 2022
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FormulaC7H8O5
Net Charge0
Average Mass172.136
Monoisotopic Mass172.03717
SMILESO=C(O)C/C=C/C=C(\O)C(=O)O
InChIInChI=1S/C7H8O5/c8-5(7(11)12)3-1-2-4-6(9)10/h1-3,8H,4H2,(H,9,10)(H,11,12)/b2-1+,5-3-
InChIKeyZBCBETMBSDTINL-WFTYEQLWSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
2-hydroxyhepta-2,4-dienedioic acid (CHEBI:1162) has role mouse metabolite (CHEBI:75771)
2-hydroxyhepta-2,4-dienedioic acid (CHEBI:1162) is a dicarboxylic fatty acid (CHEBI:189840)
2-hydroxyhepta-2,4-dienedioic acid (CHEBI:1162) is a enol (CHEBI:33823)
2-hydroxyhepta-2,4-dienedioic acid (CHEBI:1162) is a polyunsaturated dicarboxylic acid (CHEBI:134531)
2-hydroxyhepta-2,4-dienedioic acid (CHEBI:1162) is conjugate acid of 2-hydroxyhepta-2,4-dienedioate (CHEBI:78626)
2-hydroxyhepta-2,4-dienedioic acid (CHEBI:1162) is tautomer of 2-oxohept-4-ene-1,7-dioic acid (CHEBI:82686)
Incoming Relation(s)
2-hydroxyhepta-2,4-dienedioate (CHEBI:78626) is conjugate base of 2-hydroxyhepta-2,4-dienedioic acid (CHEBI:1162)
2-oxohept-4-ene-1,7-dioic acid (CHEBI:82686) is tautomer of 2-hydroxyhepta-2,4-dienedioic acid (CHEBI:1162)
IUPAC Name 
(2Z,4E)-2-hydroxyhepta-2,4-dienedioic acid
Manual XrefsDatabases
C05600KEGG COMPOUND
CPD-787MetaCyc
Registry NumbersSources
Reaxys:7410552Reaxys