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

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kynurenate

	Properties	Image
MNX_ID	MNXM1113
reference	chebi:58454
formula	C₁₀H₆NO₃
global charge	-1
mol weight	188.162
InChIKey	HCZHHEIFKROPDY-UHFFFAOYSA-M
InChI	InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)/p-1
SMILES	O=C([O-])C1=NC2=C(C=CC=C2)C(O)=C1

MNX internals

InChI (mnx)	InChI=1/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)
SMILES (mnx)	[CH:1]1=[CH:2][CH:4]=[C:7]2[C:6](=[CH:3]1)[C:9](=[O:12])[CH:5]=[C:8]([C:10](=[O:13])[OH:14])[NH:11]2

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	33
in models (compartimentalized)	27

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58454 chebi:58454 HCZHHEIFKROPDY-UHFFFAOYSA-M	kynurenate 4-hydroxyquinoline-2-carboxylate
bigg.metabolite:kynate biggM:kynate HCZHHEIFKROPDY-UHFFFAOYSA-M	4-Hydroxy-2-quinolinecarboxylic acid
sabiork.compound:5750 sabiorkM:5750 kegg.compound:C01717 keggC:C01717 HCZHHEIFKROPDY-UHFFFAOYSA-N	4-Hydroxy-2-quinolinecarboxylic acid Kynurenate Kynurenic acid
seed.compound:cpd01182 seedM:cpd01182 HCZHHEIFKROPDY-UHFFFAOYSA-M	Kynurenate 4-Hydroxy-2-quinolinecarboxylic acid Kynurenic acid Quinaldic acid, 4-hydroxy- kynurenate kynurenic acid
hmdb:HMDB0000715 HCZHHEIFKROPDY-UHFFFAOYSA-N	Kynurenic acid 2-Carboxy-4-hydroxyquinoline 4-Hydroxy-2-chinolincarbonsaeure 4-Hydroxy-2-quinolinecarboxylate 4-Hydroxy-2-quinolinecarboxylic acid 4-Hydroxy-quinaldate 4-Hydroxy-quinaldic acid 4-Hydroxyquinaldate 4-Hydroxyquinaldic acid 4-Hydroxyquinaldinate 4-Hydroxyquinaldinic acid 4-Hydroxyquinoline-2-carboxylate 4-Hydroxyquinoline-2-carboxylic acid Acid, kynurenic Kynurenate Kynurensaeure Quinurenic acid
envipath:...ac5f0484522f envipathM:...ac5f0484522f HCZHHEIFKROPDY-UHFFFAOYSA-N	compound 0053198
vmhM:kynate vmhmetabolite:kynate HCZHHEIFKROPDY-UHFFFAOYSA-M	kynurenate 4-oxo-1,4-dihydroquinoline-2-carboxylic acid
metacyc.compound:KYNURENATE metacycM:KYNURENATE HCZHHEIFKROPDY-UHFFFAOYSA-L	kynurenate Quinaldic acid, 4-hydroxy- kynurenic acid
reactome:R-ALL-6805204 reactomeM:R-ALL-6805204 reactome:R-ALL-893587 reactomeM:R-ALL-893587 reactome:R-ALL-893594 reactomeM:R-ALL-893594 CHEBI:18344 chebi:18344 HCZHHEIFKROPDY-UHFFFAOYSA-N	kynurenic acid 4-Hydroxy-2-chinolincarbonsaeure 4-Hydroxy-2-quinolinecarboxylic acid 4-hydroxy-2-quinolinecarboxylic acid 4-hydroxyquinaldic acid 4-hydroxyquinaldinic acid 4-hydroxyquinoline-2-carboxylic acid Kynurenate Kynurenic acid Kynurensaeure
vmhM:l2fn2m2masn vmhmetabolite:l2fn2m2masn HCZHHEIFKROPDY-UHFFFAOYSA-N	{[galactosyl-(1,4)-N-Acetyl-glucosaminyl-(1,2)-mannosyl-(1,3)-],[N-acetyl-glucosaminyl-(1,2)-mannosyl-(1,6)-]mannosyl-(1,4)-N-ac... 4-oxo-1,4-dihydroquinoline-2-carboxylic acid
hmdb:HMDB00715 chebi:14495 chebi:1841 chebi:20378 chebi:24991 biggM:M_kynate keggC:M_C01717 seedM:M_cpd01182 vmhM:M_kynate vmhM:M_l2fn2m2masn	secondary/obsolete/fantasy identifier