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

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	(2Z,4E)-4-hydroxymuconic semialdehyde

ChEBI ID	CHEBI:18301

ChEBI ASCII Name	(2Z,4E)-4-hydroxymuconic semialdehyde

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:10452, CHEBI:12011, CHEBI:23261

Supplier Information

Download	Molfile XML SDF

more structures >>

Formula

C6H6O4

Net Charge

Average Mass

142.110

Monoisotopic Mass

142.02661

InChI

InChI=1S/C6H6O4/c7-4-3-5(8)1-2-6(9)10/h1-4,8H,(H,9,10)/b2-1-,5-3+

InChIKey

NJOJKLHNRGFVOS-REDYYMJGSA-N

SMILES

C(=C\C(=C/C=O)\O)\C(=O)O

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	(2Z,4E)-4-hydroxymuconic semialdehyde (CHEBI:18301) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020) (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 conjugate acid of (2Z,4E)-4-hydroxymuconic semialdehyde(1−) (CHEBI:58434)

Incoming	(2Z,4E)-4-hydroxymuconic semialdehyde(1−) (CHEBI:58434) is conjugate base of (2Z,4E)-4-hydroxymuconic semialdehyde (CHEBI:18301)

Synonyms	Sources
(2Z,4E)-4-hydroxy-6-oxohexa-2,4-dienoic acid	IUPAC
cis,cis-4-hydroxymuconic semialdehyde	KEGG COMPOUND

Last Modified

09 October 2019