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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-carboxy-2-hydroxy-cis,cis-muconate 6-semialdehyde
ChEBI ID CHEBI:18046
ChEBI ASCII Name 4-carboxy-2-hydroxy-cis,cis-muconate 6-semialdehyde
Definition A carboxy-2-hydroxymuconate semialdehyde having the carboxy group at the 4-position and the aldehyde functijon at the 6-position.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:1793, CHEBI:11968, CHEBI:20325, CHEBI:11966
Supplier Information ZINC000095832019
Download Molfile XML SDF
Formula C7H6O6
Net Charge 0
Average Mass 186.11894
Monoisotopic Mass 186.01644
InChI InChI=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+
InChIKey YOMOLPRSDGXHCY-CLLRDSTBSA-N
SMILES OC(=O)C(\O)=C/C(=C\C=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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Sources
2-hydroxy-4-carboxymuconate semialdehyde ChEBI
4-carboxy-2-hydroxy-cis,cis-muconate 6-semialdehyde ChEBI
4-Carboxy-2-hydroxy-cis,cis-muconate 6-semialdehyde KEGG COMPOUND
4-Carboxy-2-hydroxymuconate semialdehyde KEGG COMPOUND
Manual Xrefs Databases
c0192 UM-BBD
C04484 KEGG COMPOUND
View more database links
Registry Number Type Source
28345-81-5 CAS Registry Number KEGG COMPOUND
Last Modified
04 January 2011