EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:87771 - (2Z,4Z)-2-hydroxyhepta-2,4-dienedioic acid

Default Structure
ChEBI IDCHEBI:87771
ChEBI Name(2Z,4Z)-2-hydroxyhepta-2,4-dienedioic acid
Stars
ASCII Name(2Z,4Z)-2-hydroxyhepta-2,4-dienedioic acid
DefinitionA dicarboxylic acid that is 2-hydroxyhepta-2,4-diene in which the two terminal methyl groups are replaced by carboxy groups (the 2Z,4Z-geoisomer).
Last Modified24 February 2022
SubmitterSteve
DownloadsMolfile
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-NWJCXACMSA-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,4Z)-2-hydroxyhepta-2,4-dienedioic acid (CHEBI:87771) is a dicarboxylic fatty acid (CHEBI:189840)
(2Z,4Z)-2-hydroxyhepta-2,4-dienedioic acid (CHEBI:87771) is a enol (CHEBI:33823)
(2Z,4Z)-2-hydroxyhepta-2,4-dienedioic acid (CHEBI:87771) is a polyunsaturated dicarboxylic acid (CHEBI:134531)
(2Z,4Z)-2-hydroxyhepta-2,4-dienedioic acid (CHEBI:87771) is conjugate acid of (2Z,4Z)-2-hydroxyhepta-2,4-dienedioate (CHEBI:87504)
(2Z,4Z)-2-hydroxyhepta-2,4-dienedioic acid (CHEBI:87771) is tautomer of (4Z)-2-oxohept-4-enedioic acid (CHEBI:87772)
Incoming Relation(s)
(2Z,4Z)-2-hydroxyhepta-2,4-dienedioate (CHEBI:87504) is conjugate base of (2Z,4Z)-2-hydroxyhepta-2,4-dienedioic acid (CHEBI:87771)
(4Z)-2-oxohept-4-enedioic acid (CHEBI:87772) is tautomer of (2Z,4Z)-2-hydroxyhepta-2,4-dienedioic acid (CHEBI:87771)
IUPAC Name 
(2Z,4Z)-2-hydroxyhepta-2,4-dienedioic acid
Registry NumbersSources
Reaxys:7410551Reaxys