CHEBI:18046 - 4-carboxy-2-hydroxy-cis,cis-muconate 6-semialdehyde

ChEBI IDCHEBI:18046
ChEBI Name4-carboxy-2-hydroxy-cis,cis-muconate 6-semialdehyde
Stars
ASCII Name4-carboxy-2-hydroxy-cis,cis-muconate 6-semialdehyde
DefinitionA carboxy-2-hydroxymuconate semialdehyde having the carboxy group at the 4-position and the aldehyde functijon at the 6-position.
Secondary ChEBI IDsCHEBI:1793, CHEBI:11966, CHEBI:11968, CHEBI:20325
Last Modified4 January 2011
DownloadsMolfile
FormulaC7H6O6
Net Charge0
Average Mass186.119
Monoisotopic Mass186.01644
SMILESO=C/C=C(\C=C(\O)C(=O)O)C(=O)O
InChIInChI=1S/C7H6O6/c8-2-1-4(6(10)11)3-5(9)7(12)13/h1-3,9H,(H,10,11)(H,12,13)/b4-1+,5-3+
InChIKeyYOMOLPRSDGXHCY-CLLRDSTBSA-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)
4-carboxy-2-hydroxy-cis,cis-muconate 6-semialdehyde (CHEBI:18046) is a carboxy-2-hydroxymuconate semialdehyde (CHEBI:23022)
4-carboxy-2-hydroxy-cis,cis-muconate 6-semialdehyde (CHEBI:18046) is conjugate acid of 4-carboxy-2-hydroxy-cis,cis-muconate 6-semialdehyde(2−) (CHEBI:58358)
Incoming Relation(s)
4-carboxy-2-hydroxy-cis,cis-muconate 6-semialdehyde(2−) (CHEBI:58358) is conjugate base of 4-carboxy-2-hydroxy-cis,cis-muconate 6-semialdehyde (CHEBI:18046)
IUPAC Name 
(2E,4E)-2-hydroxy-4-(2-oxoethylidene)pent-2-enedioic acid
Synonyms  Source
4-Carboxy-2-hydroxymuconate semialdehydeKEGG COMPOUND
4-Carboxy-2-hydroxy-cis,cis-muconate 6-semialdehydeKEGG COMPOUND
2-hydroxy-4-carboxymuconate semialdehydeChEBI
4-carboxy-2-hydroxy-cis,cis-muconate 6-semialdehydeChEBI
Manual XrefsDatabases
C04484KEGG COMPOUND
C04484KEGG COMPOUND
c0192UM-BBD
Registry NumbersSources
CAS:28345-81-5KEGG COMPOUND