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CHEBI:58308 - 5-amino-4-chloro-2-(2-oxidomuconoyl)pyridazin-3(2H)-one(2−)

ChEBI IDCHEBI:58308
ChEBI Name5-amino-4-chloro-2-(2-oxidomuconoyl)pyridazin-3(2H)-one(2−)
Stars
ASCII Name5-amino-4-chloro-2-(2-oxidomuconoyl)pyridazin-3(2H)-one(2-)
DefinitionA monocarboxylic acid anion arising from deprotonation of the carboxy and enol groups of 5-amino-4-chloro-2-(2-hydroxymuconoyl)pyridazin-3(2H)-one; major species at pH 7.3.
Last Modified13 November 2017
DownloadsMolfile
FormulaC10H6ClN3O5
Net Charge-2
Average Mass283.627
Monoisotopic Mass283.00070
SMILESNc1cnn(C(=O)/C([O-])=C/C=C/C(=O)[O-])c(=O)c1Cl
InChIInChI=1S/C10H8ClN3O5/c11-8-5(12)4-13-14(10(8)19)9(18)6(15)2-1-3-7(16)17/h1-4,15H,12H2,(H,16,17)/p-2/b3-1+,6-2-
InChIKeyRXGRVLKXOCEHND-HTNNJDHISA-L
ChEBI Ontology
Outgoing Relation(s)
5-amino-4-chloro-2-(2-oxidomuconoyl)pyridazin-3(2H)-one(2−) (CHEBI:58308) is a monocarboxylic acid anion (CHEBI:35757)
5-amino-4-chloro-2-(2-oxidomuconoyl)pyridazin-3(2H)-one(2−) (CHEBI:58308) is conjugate base of 5-amino-4-chloro-2-(2-hydroxymuconoyl)pyridazin-3(2H)-one (CHEBI:17881)
Incoming Relation(s)
5-amino-4-chloro-2-(2-hydroxymuconoyl)pyridazin-3(2H)-one (CHEBI:17881) is conjugate acid of 5-amino-4-chloro-2-(2-oxidomuconoyl)pyridazin-3(2H)-one(2−) (CHEBI:58308)
IUPAC Name 
6-(4-amino-5-chloro-6-oxopyridazin-1(6H)-yl)-5-oxido-6-oxohexa-2,4-dienoate
Synonym  Source
5-amino-4-chloro-2-(2-oxidomuconoyl)pyridazin-3(2H)-one dianionChEBI
UniProt Name  Source
5-amino-4-chloro-2-(2-hydroxymuconoyl)pyridazin-3(2H)-oneUniProt