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CHEBI:18301 - (2Z,4E)-4-hydroxymuconic semialdehyde

Default Structure
ChEBI IDCHEBI:18301
ChEBI Name(2Z,4E)-4-hydroxymuconic semialdehyde
Stars
ASCII Name(2Z,4E)-4-hydroxymuconic semialdehyde
Secondary ChEBI IDsCHEBI:10452, CHEBI:12011, CHEBI:23261
Last Modified9 October 2019
DownloadsMolfile
FormulaC6H6O4
Net Charge0
Average Mass142.110
Monoisotopic Mass142.02661
SMILESO=C/C=C(O)\C=C/C(=O)O
InChIInChI=1S/C6H6O4/c7-4-3-5(8)1-2-6(9)10/h1-4,8H,(H,9,10)/b2-1-,5-3+
InChIKeyNJOJKLHNRGFVOS-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-hydroxymuconic semialdehyde (CHEBI:18301) is a 3-oxo aldehyde (CHEBI:145078)
(2Z,4E)-4-hydroxymuconic semialdehyde (CHEBI:18301) is a muconic semialdehyde (CHEBI:38436)
(2Z,4E)-4-hydroxymuconic semialdehyde (CHEBI:18301) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020)
(2Z,4E)-4-hydroxymuconic semialdehyde (CHEBI:18301) is conjugate acid of (2Z,4E)-4-hydroxymuconic semialdehyde(1−) (CHEBI:58434)
Incoming Relation(s)
(2Z,4E)-4-hydroxymuconic semialdehyde(1−) (CHEBI:58434) is conjugate base of (2Z,4E)-4-hydroxymuconic semialdehyde (CHEBI:18301)
Synonyms  Source
(2Z,4E)-4-hydroxy-6-oxohexa-2,4-dienoic acidIUPAC
cis,cis-4-hydroxymuconic semialdehydeKEGG COMPOUND
Manual XrefsDatabases
c0262UM-BBD
C06603KEGG COMPOUND
C06603KEGG COMPOUND