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CHEBI:165497 - 5-Amino-4-Chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone

ChEBI IDCHEBI:165497
ChEBI Name5-Amino-4-Chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone
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SubmitterMetaboLights
DownloadsMolfile
FormulaC10H8ClN3O5
Net Charge0
Average Mass285.643
Monoisotopic Mass285.01525
SMILESNc1cnn(C(=O)/C=C\C=C(\O)C(=O)O)c(=O)c1Cl
InChIInChI=1S/C10H8ClN3O5/c11-8-5(12)4-13-14(9(8)17)7(16)3-1-2-6(15)10(18)19/h1-4,15H,12H2,(H,18,19)/b3-1-,6-2+
InChIKeyVPRVQIJXVCMMQE-JUEFVVJZSA-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)
5-Amino-4-Chloro-2-(5-hydroxymuconoyl)-3(2H)-pyridazinone (CHEBI:165497) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name 
(2E,4Z)-6-(4-amino-5-chloro-6-oxopyridazin-1-yl)-2-hydroxy-6-oxohexa-2,4-dienoic acid
Manual XrefsDatabases
30791306ChemSpider
C05155KEGG COMPOUND