Chem
J-GLOBAL ID：201407054984623103   Nikkaji number：J3.297.429E

Guanosine 5′-triphosphoric acid Oγ-[1-[(2-amino-6-oxylato-7-methyl-9H-purine-7-ium)-9-yl]-5-deoxy-β-D-ribofuranose-5-yl] ester

グアノシン5′-三りん酸Oγ-[1-[(2-アミノ-6-オキシラト-7-メチル-9H-プリン-7-イウム)-9-イル]-5-デオキシ-β-D-リボフラノース-5-イル]
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C21H29N9[N+]O18[O-]P3
Molecular formula furigana： C21-H29-N10-O19-P3
Molecular weight： 818.435
InChI： InChI=1S/C21H29N10O19P3/c1-29-5-31(15-9(29)17(37)28-20(23)26-15)21(38)13(35)11(33)7(48-21)3-46-52(41,42)50-53(43,44)49-51(39,40)45-2-6-10(32)12(34)18(47-6)30-4-24-8-14(30)25-19(22)27-16(8)36/h4-7,10-13,18,32-35,38H,2-3H2,1H3,(H8-,22,23,25,26,27,28,36,37,39,40,41,42,43,44)/t6-,7-,10-,11-,12-,13-,18-,21+/m1/s1
InChI key： AGFDDUWUTKWHSG-MQAAEOFBSA-N
SMILES： C[n+]1cn(c2nc(N)nc([O-])c12)[C@@]1(O)O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c2nc(N)[nH]c3=O)[C@@H](O)[C@H]1O
Systematic name  (3)：
  • グアノシン5′-三りん酸Oγ-[1-[(2-アミノ-6-オキシラト-7-メチル-9H-プリン-7-イウム)-9-イル]-5-デオキシ-β-D-リボフラノース-5-イル]
  • 2-アミノ-9-[(2S,3R,4S,5R)-5-({[({[({[(2R,3S,4R,5R)-5-(2-アミノ-6-オキソ-6,9-ジヒドロ-1H-プリン-9-イル)-3,4-ジヒドロキシオキソラン-2-イル]メトキシ}(ヒドロキシ)ホスホリル)オキシ](ヒドロキシ)ホスホリル}オキシ)(ヒドロキシ)ホスホリル]オキシ}メチル)-2,3,4-トリヒドロキシオキソラン-2-イル]-7-メチル-9H-プリン-7-イウム-6-オラート
  • 2-amino-9-[(2S,3R,4S,5R)-5-({[({[({[(2R,3S,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-2,3,4-trihydroxyoxolan-2-yl]-7-methyl-9H-purin-7-ium-6-olate
Other name (1)：
  • Guanosine 5′-triphosphoric acid Oγ-[1-[(2-amino-6-oxylato-7-methyl-9H-purine-7-ium)-9-yl]-5-deoxy-β-D-ribofuranose-5-yl] ester
Thsaurus map：
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