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Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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

MNXM4387 is deprecated and here replaced by MNXM1371731
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM1371731
reference	chebi:58308
formula	C₁₀H₆ClN₃O₅
global charge	-2
mol weight	283.627
InChIKey	RXGRVLKXOCEHND-HTNNJDHISA-L
InChI	InChI=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-
SMILES	NC1=C(Cl)C(=O)N(C(=O)/C([O-])=C/C=C/C(=O)[O-])N=C1

MNX internals

InChI (mnx)	InChI=1/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-
SMILES (mnx)	[CH:1](/[CH:2]=[C:6](/[C:9]([N:14]1[C:10](=[O:19])[C:8]([Cl:11])=[C:5]([NH2:12])[CH:4]=[N:13]1)=[O:18])[OH:15])=[CH:3]\[C:7](=[O:16])[OH:17]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58308 chebi:58308 RXGRVLKXOCEHND-HTNNJDHISA-L	5-amino-4-chloro-2-(2-hydroxymuconoyl)pyridazin-3(2H)-one 5-amino-4-chloro-2-(2-oxidomuconoyl)pyridazin-3(2H)-one dianion 5-amino-4-chloro-2-(2-oxidomuconoyl)pyridazin-3(2H)-one(2-) 6-(4-amino-5-chloro-6-oxopyridazin-1(6H)-yl)-5-oxido-6-oxohexa-2,4-dienoate
metacyc.compound:5-AMINO-4-CHLORO-2-2-HYDROXYMUCONOYL-3 metacycM:5-AMINO-4-CHLORO-2-2-HYDROXYMUCONOYL-3 RXGRVLKXOCEHND-HTNNJDHISA-L	5-amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone
CHEBI:17881 chebi:17881 RXGRVLKXOCEHND-HTNNJDHISA-N	5-amino-4-chloro-2-(2-hydroxymuconoyl)pyridazin-3(2H)-one 5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone 5-amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone 6-(4-amino-5-chloro-6-oxopyridazin-1(6H)-yl)-5-hydroxy-6-oxohexa-2,4-dienoic acid
chebi:12106 chebi:2028 chebi:20542	secondary/obsolete/fantasy identifier