Chem
J-GLOBAL ID:200907026192971453   Nikkaji number:J1.372.070C

8-(Ethylthio)adenosine 5′-triphosphoric acid

8-(エチルチオ)アデノシン5′-三りん酸
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: C12H20N5O13P3S
Molecular formula furigana: C12-H20-N5-O13-P3-S
Molecular weight: 567.300
InChI: InChI=1S/C12H20N5O13P3S/c1-2-34-12-16-6-9(13)14-4-15-10(6)17(12)11-8(19)7(18)5(28-11)3-27-32(23,24)30-33(25,26)29-31(20,21)22/h4-5,7-8,11,18-19H,2-3H2,1H3,(H,23,24)(H,25,26)(H2,13,14,15)(H2,20,21,22)/t5-,7-,8-,11-/m1/s1
InChI key: QFABTAQFFOWMEY-IOSLPCCCSA-N
SMILES: CCSc1nc2c(N)ncnc2n1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O
Systematic name  (3):
  • 8-(エチルチオ)アデノシン5′-三りん酸
  • ({[({[(2R,3S,4R,5R)-5-[6-アミノ-8-(エチルスルファニル)-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}(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)ホスホン酸
  • ({[({[(2R,3S,4R,5R)-5-[6-amino-8-(ethylsulfanyl)-9H-purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
Other name (1):
  • 8-(Ethylthio)adenosine 5′-triphosphoric acid
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