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

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quinolinate

	Properties	Image
MNX_ID	MNXM555
reference	chebi:29959
formula	C₇H₃NO₄
global charge	-2
mol weight	165.104
InChIKey	GJAWHXHKYYXBSV-UHFFFAOYSA-L
InChI	InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12)/p-2
SMILES	O=C([O-])C1=CC=CN=C1C(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12)
SMILES (mnx)	[CH:1]1=[CH:2][C:4]([C:6](=[O:9])[OH:10])=[C:5]([C:7](=[O:11])[OH:12])[N:8]=[CH:3]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	17
in models (compartimentalized)	11

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-197238 reactomeM:R-ALL-197238 CHEBI:29959 chebi:29959 GJAWHXHKYYXBSV-UHFFFAOYSA-L	quinolinate pyridine-2,3-dicarboxylate quinolinate(2-)
CHEBI:46833 chebi:46833 GJAWHXHKYYXBSV-UHFFFAOYSA-M	2-carboxypyridine-3-carboxylate 2-carboxynicotinate
CHEBI:46832 chebi:46832 GJAWHXHKYYXBSV-UHFFFAOYSA-M	3-carboxypyridine-2-carboxylate
sabiork.compound:6817 sabiorkM:6817 GJAWHXHKYYXBSV-UHFFFAOYSA-L	Pyridine-2,3-dicarboxylate 2,3-Pyridinedicarboxylic acid Quinolinate Quinolinic acid
bigg.metabolite:quln biggM:quln GJAWHXHKYYXBSV-UHFFFAOYSA-L	Quinolinate
seed.compound:cpd02333 seedM:cpd02333 GJAWHXHKYYXBSV-UHFFFAOYSA-L	Quinolinate 2,3-Pyridinedicarboxylic acid 2,3-pyridinedicarboxylate 2,3-pyridinedicarboxylic acid Pyridine-2,3-dicarboxylate Quinolinic acid pyridine-2,3-dicarboxylate pyridine-2,3-dicarboxylic acid quinolinate quinolinic acid quln
kegg.compound:C03722 keggC:C03722 GJAWHXHKYYXBSV-UHFFFAOYSA-N	Quinolinate 2,3-Pyridinedicarboxylic acid Pyridine-2,3-dicarboxylate Quinolinic acid
hmdb:HMDB0000232 GJAWHXHKYYXBSV-UHFFFAOYSA-N	Quinolinic acid 2,3-Pyridinedicarboxylate 2,3-Pyridinedicarboxylic acid 3,4-Pyridinedicarboxylic acid Pyridin-2,3-dicarbonsaeure Pyridine-2,3-carboxylate Pyridine-2,3-dicarboxylate Pyridine-2,3-dicarboxylic acid Quinolinate pyridine-2,3-dicarboxylic acid quinolinic acid
CHEBI:46828 chebi:46828 GJAWHXHKYYXBSV-UHFFFAOYSA-M	quinolinate(1-) hydrogen pyridine-2,3-dicarboxylate
vmhM:quln vmhmetabolite:quln GJAWHXHKYYXBSV-UHFFFAOYSA-L	quinolinate(2-) pyridine-2,3-dicarboxylic acid
metacyc.compound:QUINOLINATE metacycM:QUINOLINATE GJAWHXHKYYXBSV-UHFFFAOYSA-L	quinolinate 2,3-pyridinedicarboxylate 2,3-pyridinedicarboxylic acid pyridine-2,3-dicarboxylate pyridine-2,3-dicarboxylic acid quinolinic acid
CHEBI:132942 chebi:132942	quinolinate quinolinate anion quinolinic acid anion
CHEBI:16675 chebi:16675 GJAWHXHKYYXBSV-UHFFFAOYSA-N	quinolinic acid 2,3-Pyridinedicarboxylic acid Pyridine-2,3-dicarboxylate QUINOLINIC ACID Quinolinic acid pyridine-2,3-dicarboxylic acid
hmdb:HMDB00232 chebi:14975 chebi:26417 chebi:26418 chebi:44529 chebi:8663 biggM:M_quln keggC:M_C03722 seedM:M_cpd02333 vmhM:M_quln	secondary/obsolete/fantasy identifier