Chem
J-GLOBAL ID：200907089998295620   Nikkaji number：J372.802A

PAPS

PAPS
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： C10H15N5O13P2S
Molecular formula furigana： C10-H15-N5-O13-P2-S
Molecular weight： 507.260
InChI： InChI=1S/C10H15N5O13P2S/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(27-29(17,18)19)4(26-10)1-25-30(20,21)28-31(22,23)24/h2-4,6-7,10,16H,1H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)(H,22,23,24)/t4-,6-,7-,10-/m1/s1
InChI key： GACDQMDRPRGCTN-KQYNXXCUSA-N
SMILES： Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(=O)(O)OS(=O)(=O)O)[C@@H](OP(=O)(O)O)[C@H]1O
Systematic name  (9)：
  • 5′-O-(スルホホスホノ)-3′-アデニル酸
  • 5′-O-(スルホオキシホスホニル)アデノシン3′-りん酸
  • 3′-O-ホスホノ-5′-アデニル酸5′-硫酸無水物
  • アデノシン3′-りん酸5′-(スルホオキシホスホン酸)
  • 3′-O-ホスホノ-5′-O-[(スルホオキシ)ホスホニル]アデノシン
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Other name (17)：
  • PAPS
  • アデノシン3′-りん酸5′-ホスホ硫酸
  • 3′-ホスホアデノシン5′-ホスホ硫酸
  • 3′-ホスホアデニリルスルファート
  • 3′-Phosphoadenosine 5′-phosphosulfate
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CAS registry number： 482-67-7
KEGG COMPOUND： C00053
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