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CHEBI:28027 - 2-hydroxy-5-methyl-cis,cis-muconic semialdehyde

ChEBI IDCHEBI:28027
ChEBI Name2-hydroxy-5-methyl-cis,cis-muconic semialdehyde
Stars
ASCII Name2-hydroxy-5-methyl-cis,cis-muconic semialdehyde
DefinitionA muconic semialdehyde compound having a hydroxy substituent at the 2-position and a methyl substituent at the 5-position.
Secondary ChEBI IDsCHEBI:1131, CHEBI:19614
Last Modified27 June 2014
DownloadsMolfile
FormulaC7H8O4
Net Charge0
Average Mass156.137
Monoisotopic Mass156.04226
SMILES[H]C(=O)/C(C)=C\C=C(\O)C(=O)O
InChIInChI=1S/C7H8O4/c1-5(4-8)2-3-6(9)7(10)11/h2-4,9H,1H3,(H,10,11)/b5-2-,6-3+
InChIKeyADNFTGVUUFRKSK-JGDUWUCISA-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)
2-hydroxy-5-methyl-cis,cis-muconic semialdehyde (CHEBI:28027) is a muconic semialdehyde (CHEBI:38436)
2-hydroxy-5-methyl-cis,cis-muconic semialdehyde (CHEBI:28027) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020)
IUPAC Name 
(2E,4Z)-2-hydroxy-5-methyl-6-oxohexa-2,4-dienoic acid
Synonyms  Source
2-Hydroxy-5-methyl-cis,cis-muconic semialdehydeKEGG COMPOUND
(2E,4Z)-2-Hydroxy-5-methyl-6-oxohexa-2,4-dienoateKEGG COMPOUND
Manual XrefsDatabases
C06760KEGG COMPOUND