Chem
J-GLOBAL ID:200907012624813560
Nikkaji number:J2.026.813A
5′-Adenylic acid 5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-yl]pentyl ester
5′-アデニル酸5-[(3aS,4S,6aR)-ヘキサヒドロ-2-オキソ-1H-チエノ[3,4-d]イミダゾール-4-イル]ペンチル
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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:
C20 H30 N7 O8 PS
Molecular formula furigana:
C20-H30-N7-O8-P-S
Molecular weight:
559.530
InChI:
InChI=1S/C20H30N7O8PS/c21-17-14-18(23-8-22-17)27(9-24-14)19-16(29)15(28)11(35-19)6-34-36(31,32)33-5-3-1-2-4-12-13-10(7-37-12)25-20(30)26-13/h8-13,15-16,19,28-29H,1-7H2,(H,31,32)(H2,21,22,23)(H2,25,26,30)/t10-,11+,12-,13-,15+,16+,19+/m0/s1
InChI key:
KBOGUFFJCBPJEH-SQGSUPJISA-N
SMILES:
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(=O)(O)OCCCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)[C@@H](O)[C@H]1O
Systematic name (4):
(5′-アデノシルオキシ)5-[(3aS,4S,6aR)-ヘキサヒドロ-2-オキソ-1H-チエノ[3,4-d]イミダゾール-4-イル]ペンチルオキシホスフィン酸
5′-アデニル酸5-[(3aS,4S,6aR)-ヘキサヒドロ-2-オキソ-1H-チエノ[3,4-d]イミダゾール-4-イル]ペンチル
({5-[(3aS,4S,6aR)-2-オキソ-ヘキサヒドロ-1H-チエノ[3,4-d]イミダゾール-4-イル]ペンチル}オキシ)({[(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})ホスフィン酸
({5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentyl}oxy)({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy})phosphinic acid
Other name (2):
(5′-Adenosyloxy)5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-yl]pentyloxyphosphinic acid
5′-Adenylic acid 5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-yl]pentyl ester
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