3′-Phosphoadenosine 5′-phosphosulfate

CAS Registry Number®

482-67-7

CAS Name

3′-Phosphoadenosine 5′-phosphosulfate

Molecular Formula

C10H15N5O13P2S

Molecular Mass

507.26

Cite this Page

3′-Phosphoadenosine 5′-phosphosulfate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=482-67-7 (retrieved 2024-11-22) (CAS RN: 482-67-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

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

InChIKey

InChIKey=GACDQMDRPRGCTN-KQYNXXCUSA-N

SMILES

O[C@H]1[C@H](N2C=3C(N=C2)=C(N)N=CN3)O[C@H](COP(OS(=O)(=O)O)(=O)O)[C@H]1OP(=O)(O)O

Canonical SMILES

O=P(O)(O)OC1C(O)C(OC1COP(=O)(O)OS(=O)(=O)O)N2C=NC=3C(=NC=NC32)N

Other Names for this Substance

  • 3′-Adenylic acid, 5′-(dihydrogen phosphate), 5′-anhydride with sulfuric acid
  • Adenosine, 3′,5′-bis(dihydrogen phosphate), 5′-monoanhydride with sulfuric acid
  • Adenosine 3′,5′-diphosphate, 5′-anhydride with sulfuric acid
  • Adenosine 3′-phosphate 5′-phosphosulfate
  • PAPS

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