EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:133872 - (2Z,4E)-4-hydroxy-6-oxoocta-2,4-dienedioic acid

ChEBI IDCHEBI:133872
ChEBI Name(2Z,4E)-4-hydroxy-6-oxoocta-2,4-dienedioic acid
Stars
ASCII Name(2Z,4E)-4-hydroxy-6-oxoocta-2,4-dienedioic acid
DefinitionAn oxodicarboxylic acid that is a tautomer of 4-maleylacetoacetic acid in which the carbonyl of the α,β-unsaturated ketone moiety has tautomerised to the corresponding enol (the 2Z,4E isomer).
Last Modified2 November 2016
Submittergemma
DownloadsMolfile
FormulaC8H8O6
Net Charge0
Average Mass200.146
Monoisotopic Mass200.03209
SMILESO=C(O)/C=C\C(O)=C/C(=O)CC(=O)O
InChIInChI=1S/C8H8O6/c9-5(1-2-7(11)12)3-6(10)4-8(13)14/h1-3,9H,4H2,(H,11,12)(H,13,14)/b2-1-,5-3+
InChIKeyXBRPTASPFXQXPJ-REDYYMJGSA-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)
(2Z,4E)-4-hydroxy-6-oxoocta-2,4-dienedioic acid (CHEBI:133872) is a enol (CHEBI:33823)
(2Z,4E)-4-hydroxy-6-oxoocta-2,4-dienedioic acid (CHEBI:133872) is a oxo dicarboxylic acid (CHEBI:36145)
(2Z,4E)-4-hydroxy-6-oxoocta-2,4-dienedioic acid (CHEBI:133872) is tautomer of 4-maleylacetoacetic acid (CHEBI:47904)
Incoming Relation(s)
4-maleylacetoacetic acid (CHEBI:47904) is tautomer of (2Z,4E)-4-hydroxy-6-oxoocta-2,4-dienedioic acid (CHEBI:133872)
IUPAC Name 
(2Z,4E)-4-hydroxy-6-oxoocta-2,4-dienedioic acid
Synonym  Source
(2Z,4E)-4-hydroxy-6-oxo-2,4-octadienedioic acidChEBI