Chem
J-GLOBAL ID：200907051743577799   Nikkaji number：J2.585.053J

5′-pGpG

3′-O-(5′-グアニリル)-5′-グアニル酸
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： C20H26N10O15P2
Molecular formula furigana： C20-H26-N10-O15-P2
Molecular weight： 708.431
InChI： InChI=1S/C20H26N10O15P2/c21-19-25-13-7(15(34)27-19)23-3-29(13)17-10(32)9(31)5(43-17)1-42-47(39,40)45-12-6(2-41-46(36,37)38)44-18(11(12)33)30-4-24-8-14(30)26-20(22)28-16(8)35/h3-6,9-12,17-18,31-33H,1-2H2,(H,39,40)(H2,36,37,38)(H3,21,25,27,34)(H3,22,26,28,35)/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1
InChI key： ZEHOHLFQOXAZHX-MHARETSRSA-N
SMILES： Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(=O)(O)O[C@@H]2[C@@H](COP(=O)(O)O)O[C@H]([C@@H]2O)n2cnc3c2nc(N)[nH]c3=O)[C@@H](O)[C@H]1O
Systematic name  (4)：
  • 3′-O-[(5′-グアノシルオキシ)ホスホニル]-5′-O-(ホスホノ)グアノシン
  • 3′-O-(5′-グアニリル)-5′-グアニル酸
  • {[(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-[({[(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]-4-ヒドロキシオキソラン-2-イル]メトキシ}ホスホン酸
  • {[(2R,3S,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3-[({[(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]-4-hydroxyoxolan-2-yl]methoxy}phosphonic acid
Other name (3)：
  • 3′-O-[(5′-Guanosyloxy)phosphonyl]-5′-O-(phosphono)guanosine
  • 5′-pGpG
  • 3′-O-(5′-Guanylyl)-5′-guanylic acid
KEGG COMPOUND： C18076
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