Chem
J-GLOBAL ID：200907063324030907   Nikkaji number：J974.157G

N-(1,2-Dicarboxyethyl)adenosine 5′-phosphoric acid

N-(1,2-ジカルボキシエチル)アデノシン5′-りん酸
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： C14H18N5O11P
Molecular formula furigana： C14-H18-N5-O11-P
Molecular weight： 463.296
InChI： InChI=1S/C14H18N5O11P/c20-7(21)1-5(14(24)25)18-11-8-12(16-3-15-11)19(4-17-8)13-10(23)9(22)6(30-13)2-29-31(26,27)28/h3-6,9-10,13,22-23H,1-2H2,(H,20,21)(H,24,25)(H,15,16,18)(H2,26,27,28)/t5?,6-,9-,10-,13-/m1/s1
InChI key： OFBHPPMPBOJXRT-DPXQIYNJSA-N
SMILES： O[C@@H]1[C@@H](COP(=O)(O)O)O[C@H]([C@@H]1O)n1cnc2c(NC(CC(=O)O)C(=O)O)ncnc12
Systematic name  (3)：
  • N-(1,2-ジカルボキシエチル)アデノシン5′-りん酸
  • 2-({9-[(2R,3R,4S,5R)-3,4-ジヒドロキシ-5-[(ホスホノオキシ)メチル]オキソラン-2-イル]-9H-プリン-6-イル}アミノ)ブタン二酸
  • 2-({9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-9H-purin-6-yl}amino)butanedioic acid
Other name (1)：
  • N-(1,2-Dicarboxyethyl)adenosine 5′-phosphoric acid
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