**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

7-carboxy-7-carbaguanine

Properties Image MNX_ID MNXM737298 reference chebi:61036 formula C7H5N4O3 global charge -1 mol weight 193.142 InChIKey XIUIRSLBMMTDSK-UHFFFAOYSA-M InChI InChI=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 SMILES Nc1nc2[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) SMILES (mnx) [C:1]1(=[CH2:7])[C:2]2=[C:3]([CH:4]=[C:6]([NH2:8])[CH2:5]1)[NH:10][N:11]=[N:9]2[O:12](=[O:13])[OH:14]

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

Identifier	Description
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