Chem
J-GLOBAL ID:200907084408230380
Nikkaji number:J2.743.499A
(3R)-1,2-Dithiolane-3α-pentanoic acid 5′-adenylyl ester
(3R)-1,2-ジチオラン-3α-ペンタン酸5′-アデニリル
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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:
C18 H26 N5 O8 PS2
Molecular formula furigana:
C18-H26-N5-O8-P-S2
Molecular weight:
535.530
InChI:
InChI=1S/C18H26N5O8PS2/c19-16-13-17(21-8-20-16)23(9-22-13)18-15(26)14(25)11(30-18)7-29-32(27,28)31-12(24)4-2-1-3-10-5-6-33-34-10/h8-11,14-15,18,25-26H,1-7H2,(H,27,28)(H2,19,20,21)/t10-,11-,14-,15-,18-/m1/s1
InChI key:
QWEGOCJRZOKSOE-ADUAKINBSA-N
SMILES:
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(=O)(O)OC(=O)CCCC[C@@H]2CCSS2)[C@@H](O)[C@H]1O
Systematic name (3):
(3R)-1,2-ジチオラン-3α-ペンタン酸5′-アデニリル
{[(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}({5-[(3R)-1,2-ジチオラン-3-イル]ペンタノイル}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}({5-[(3R)-1,2-dithiolan-3-yl]pentanoyl}oxy)phosphinic acid
Other name (1):
(3R)-1,2-Dithiolane-3α-pentanoic acid 5′-adenylyl ester
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