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

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7,8-dihydroxykynurenate

	Properties	Image
MNX_ID	MNXM2094
reference	chebi:58171
formula	C₁₀H₆NO₅
global charge	-1
mol weight	220.16
InChIKey	TYPRWJJYCBNAQC-UHFFFAOYSA-M
InChI	InChI=1S/C10H7NO5/c12-6-2-1-4-7(13)3-5(10(15)16)11-8(4)9(6)14/h1-3,12,14H,(H,11,13)(H,15,16)/p-1
SMILES	O=C([O-])C1=NC2=C(O)C(O)=CC=C2C(O)=C1

MNX internals

InChI (mnx)	InChI=1/C10H7NO5/c12-6-2-1-4-7(13)3-5(10(15)16)11-8(4)9(6)14/h1-3,12,14H,(H,11,13)(H,15,16)
SMILES (mnx)	[CH:1]1=[CH:2][C:6]([OH:12])=[C:9]([OH:14])[C:8]2=[N:11][C:5]([C:10](=[O:15])[OH:16])=[CH:3][C:7]([OH:13])=[C:4]12

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58171 chebi:58171 TYPRWJJYCBNAQC-UHFFFAOYSA-M	7,8-dihydroxykynurenate 4,7,8-trihydroxyquinoline-2-carboxylate 7,8-dihydroxykynurenate anion 7,8-dihydroxykynurenate(1-)
kegg.compound:C01111 keggC:C01111 vmhM:78dhkrnrt vmhmetabolite:78dhkrnrt TYPRWJJYCBNAQC-UHFFFAOYSA-N	7,8-Dihydroxykynurenate
seed.compound:cpd00816 seedM:cpd00816 TYPRWJJYCBNAQC-UHFFFAOYSA-M	7,8-Dihydroxykynurenate 7,8-dihydroxykynurenate
metacyc.compound:CPD-1080 metacycM:CPD-1080 TYPRWJJYCBNAQC-UHFFFAOYSA-M	7,8-dihydroxykynurenate
CHEBI:17508 chebi:17508 TYPRWJJYCBNAQC-UHFFFAOYSA-N	7,8-dihydroxykynurenic acid 4,7,8-trihydroxyquinoline-2-carboxylic acid 7,8-Dihydroxykynurenate
chebi:12247 chebi:20771 chebi:2253 keggC:M_C01111 seedM:M_cpd00816 vmhM:M_78dhkrnrt	secondary/obsolete/fantasy identifier