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xanthine-8-carboxylate

Properties

Image

Occurences in reactions

MNX_ID

MNXM4880

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

formula

C₆H₃N₄O₄

charge

-1

mass

195.01598

reference

InChIKey

VRZJGNXBSRQZGM-UHFFFAOYSA-M

InChI

InChI=1S/C6H4N4O4/c11-4-1-2(9-6(14)10-4)8-3(7-1)5(12)13/h(H,12,13)(H3,7,8,9,10,11,14)/p-1

SMILES

O=C([O-])c1nc2[nH]c(=O)[nH]c(=O)c2[nH]1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:16806 chebi:16806	xanthine-8-carboxylate 2,6-dioxo-2,3,6,7-tetrahydro-1H-purine-8-carboxylate
kegg.compound:C03314 keggC:C03314	Xanthine-8-carboxylate
seed.compound:cpd02112 seedM:cpd02112	Xanthine-8-carboxylate xanthine-8-carboxylate
metacyc.compound:XANTHINE-8-CARBOXYLATE metacycM:XANTHINE-8-CARBOXYLATE	xanthine-8-carboxylate
CHEBI:30881 chebi:30881	xanthine-8-carboxylic acid 2,6-dioxo-2,3,6,7-tetrahydro-1H-purine-8-carboxylic acid
chebi:10060 chebi:15319 chebi:27318 chebi:27319 keggC:M_C03314 seedM:M_cpd02112	secondary/obsolete/fantasy identifier