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CHEBI:18003 - 2-hydroxy-3-(3-oxoprop-1-enyl)but-2-enedioic acid

ChEBI IDCHEBI:18003
ChEBI Name2-hydroxy-3-(3-oxoprop-1-enyl)but-2-enedioic acid
Stars
DefinitionA carboxy-2-hydroxymuconate semialdehyde having the carboxy group at the 3-position.
Secondary ChEBI IDsCHEBI:1465, CHEBI:11762, CHEBI:19973
Last Modified3 August 2014
DownloadsMolfile
FormulaC7H6O6
Net Charge0
Average Mass186.119
Monoisotopic Mass186.01644
SMILES[H]C(=O)/C=C/C(C(=O)O)=C(/O)C(=O)O
InChIInChI=1S/C7H6O6/c8-3-1-2-4(6(10)11)5(9)7(12)13/h1-3,9H,(H,10,11)(H,12,13)/b2-1+,5-4-
InChIKeyQTJJMXJJLLAWNP-OMUGJNSGSA-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-3-(3-oxoprop-1-enyl)but-2-enedioic acid (CHEBI:18003) is a carboxy-2-hydroxymuconate semialdehyde (CHEBI:23022)
2-hydroxy-3-(3-oxoprop-1-enyl)but-2-enedioic acid (CHEBI:18003) is conjugate acid of 2-hydroxy-3-(3-oxoprop-1-enyl)but-2-enedioate (CHEBI:58346)
Incoming Relation(s)
2-hydroxy-3-(3-oxoprop-1-enyl)but-2-enedioate (CHEBI:58346) is conjugate base of 2-hydroxy-3-(3-oxoprop-1-enyl)but-2-enedioic acid (CHEBI:18003)
IUPAC Name 
2-hydroxy-3-(3-oxoprop-1-enyl)but-2-enedioic acid
Synonym  Source
3-Carboxy-2-hydroxymuconate semialdehydeKEGG COMPOUND
Manual XrefsDatabases
C04480KEGG COMPOUND
C04480KEGG COMPOUND