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7-carboxy-7-carbaguanine

PropertiesImage
MNX_IDMNXM737298 Image of MNXM737298
referencechebi:61036
formulaC7H5N4O3
global charge-1
mol weight193.142
InChIKeyXIUIRSLBMMTDSK-UHFFFAOYSA-M
InChIInChI=1S/C7H6N4O3/c8-7-10-4-3(5(12)11-7)2(1-9-4)6(13)14/h1H,(H,13,14)(H4,8,9,10,11,12)/p-1
SMILESNc1nc2[nH]cc(C(=O)[O-])c2c(=O)[nH]1
MNX internals
InChI (mnx)InChI=1/C7H6N4O3/c8-7-10-4-3(5(12)11-7)2(1-9-4)6(13)14/h1H,(H,13,14)(H4,8,9,10,11,12) Image of MNXM737298
SMILES (mnx)[cH:1]1[c:2]([C:6](=[O:13])[OH:14])[c:3]2[c:4]([nH:9]1)[n:10][c:7]([NH2:8])[nH:11][c:5]2=[O:12]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 6
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:61036
chebi:61036
XIUIRSLBMMTDSK-UHFFFAOYSA-M 		7-carboxy-7-carbaguanine
2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carboxylate
7-carboxylato-7-deazaguanine
7-deaza-7-carboxylatoguanine

kegg.compound:C20248
keggC:C20248
XIUIRSLBMMTDSK-UHFFFAOYSA-N 		7-Carboxy-7-carbaguanine
7-Carboxy-7-deazaguanine

seed.compound:cpd21481
seedM:cpd21481
XIUIRSLBMMTDSK-UHFFFAOYSA-M 		7-Carboxy-7-carbaguanine
7-Carboxy-7-deazaguanine
7-carboxy-7-deazaguanine

metacyc.compound:CPD-13043
metacycM:CPD-13043
XIUIRSLBMMTDSK-UHFFFAOYSA-M 		7-carboxy-7-deazaguanine

CHEBI:61125
chebi:61125
XIUIRSLBMMTDSK-UHFFFAOYSA-N 		7-carboxy-7-deazaguanine
2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid
7-deaza-7-carboxyguanine

bigg.metabolite:cdg
biggM:cdg 		7-deaza-7-carboxyguanine

biggM:M_cdg
keggC:M_C20248
seedM:M_cpd21481 		secondary/obsolete/fantasy identifier