Chem
J-GLOBAL ID：201007047024707170   Nikkaji number：J2.804.087C

6-Thioinosine-5′-diphosphate

6-メルカプトプリンリボヌクレオシド5′-二りん酸
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： C10H14N4O10P2S
Molecular formula furigana： C10-H14-N4-O10-P2-S
Molecular weight： 444.250
InChI： InChI=1S/C10H14N4O10P2S/c15-6-4(1-22-26(20,21)24-25(17,18)19)23-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)27/h2-4,6-7,10,15-16H,1H2,(H,20,21)(H,11,12,27)(H2,17,18,19)/t4-,6-,7-,10-/m1/s1
InChI key： MHJZYMCYLFGDRD-KQYNXXCUSA-N
SMILES： O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O)O[C@H]([C@@H]1O)n1cnc2c1nc[nH]c2=S
Systematic name  (3)：
  • 6-チオイノシン5′-ジホスファート
  • [({[(2R,3S,4R,5R)-3,4-ジヒドロキシ-5-(6-スルファニリデン-6,9-ジヒドロ-1H-プリン-9-イル)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]ホスホン酸
  • [({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-sulfanylidene-6,9-dihydro-1H-purin-9-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid
Other name (4)：
  • 6-Thioinosine 5′-diphosphate
  • 6-Mercaptopurine ribonucleoside 5′-diphosphate
  • 6-Thioinosine-5′-diphosphate
  • 6-メルカプトプリンリボヌクレオシド5′-二りん酸
CAS registry number： 805-63-0
KEGG COMPOUND： C16616
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