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CHEBI:17881 - 5-amino-4-chloro-2-(2-hydroxymuconoyl)pyridazin-3(2H)-one

ChEBI IDCHEBI:17881
ChEBI Name5-amino-4-chloro-2-(2-hydroxymuconoyl)pyridazin-3(2H)-one
Stars
ASCII Name5-amino-4-chloro-2-(2-hydroxymuconoyl)pyridazin-3(2H)-one
Secondary ChEBI IDsCHEBI:2028, CHEBI:12106, CHEBI:20542
Last Modified3 August 2014
DownloadsMolfile
FormulaC10H8ClN3O5
Net Charge0
Average Mass285.643
Monoisotopic Mass285.01525
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)/b3-1+,6-2-
InChIKeyRXGRVLKXOCEHND-HTNNJDHISA-N
ChEBI Ontology
Outgoing Relation(s)
5-amino-4-chloro-2-(2-hydroxymuconoyl)pyridazin-3(2H)-one (CHEBI:17881) has functional parent muconic acid (CHEBI:38407)
5-amino-4-chloro-2-(2-hydroxymuconoyl)pyridazin-3(2H)-one (CHEBI:17881) is a organochlorine compound (CHEBI:36683)
5-amino-4-chloro-2-(2-hydroxymuconoyl)pyridazin-3(2H)-one (CHEBI:17881) is a pyridazinone (CHEBI:26414)
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)
Incoming Relation(s)
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)
IUPAC Name 
6-(4-amino-5-chloro-6-oxopyridazin-1(6H)-yl)-5-hydroxy-6-oxohexa-2,4-dienoic acid
Synonyms  Source
5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinoneKEGG COMPOUND
5-amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinoneChEBI
5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinoneKEGG COMPOUND
Manual XrefsDatabases
C05155KEGG COMPOUND
C05155KEGG COMPOUND