Chem
J-GLOBAL ID：200907087821089016   Nikkaji number：J1.982.936G

ADP-α-D-glycero-D-manno-heptopyranose

ADP-α-D-glycero-D-manno-ヘプトピラノース
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： C17H27N5O16P2
Molecular formula furigana： C17-H27-N5-O16-P2
Molecular weight： 619.370
InChI： InChI=1S/C17H27N5O16P2/c18-14-7-15(20-3-19-14)22(4-21-7)16-11(28)8(25)6(35-16)2-34-39(30,31)38-40(32,33)37-17-12(29)9(26)10(27)13(36-17)5(24)1-23/h3-6,8-13,16-17,23-29H,1-2H2,(H,30,31)(H,32,33)(H2,18,19,20)/t5-,6-,8-,9+,10+,11-,12+,13-,16-,17-/m1/s1
InChI key： KMSFWBYFWSKGGR-RXUBOFIYSA-N
SMILES： Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O
Systematic name  (4)：
  • アデノシン5′-(二りん酸β-α-D-glycero-D-manno-ヘプトピラノシル)
  • アデノシン5′-二りん酸β-(α-D-glycero-D-manno-ヘプトピラノシル)
  • {[(2R,3S,4R,5R)-5-(6-アミノ-9H-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}[({[(2R,3S,4S,5S,6R)-6-[(1R)-1,2-ジヒドロキシエチル]-3,4,5-トリヒドロキシオキサン-2-イル]オキシ}(ヒドロキシ)ホスホリル)オキシ]ホスフィン酸
  • {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}[({[(2R,3S,4S,5S,6R)-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy}(hydroxy)phosphoryl)oxy]phosphinic acid
Other name (4)：
  • Adenosine 5′-(diphosphoric acid β-α-D-glycero-D-manno-heptopyranosyl) ester
  • Adenosine 5′-diphosphoric acid β-(α-D-glycero-D-manno-heptopyranosyl) ester
  • ADP-α-D-glycero-D-manno-heptopyranose
  • ADP-α-D-glycero-D-manno-ヘプトピラノース
KEGG COMPOUND： C06397
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