Cyclic ADP-ribose

CAS Registry Number®

119340-53-3
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CAS Name

Cyclic ADP-ribose

Molecular Formula

C15H21N5O13P2

Molecular Mass

541.30

Cite this Page

Cyclic ADP-ribose.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=119340-53-3 (retrieved 2024-04-20) (CAS RN: 119340-53-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C15H21N5O13P2/c16-12-7-13-18-4-19(12)14-10(23)8(21)5(31-14)1-29-34(25,26)33-35(27,28)30-2-6-9(22)11(24)15(32-6)20(13)3-17-7/h3-6,8-11,14-16,21-24H,1-2H2,(H,25,26)(H,27,28)/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1

InChIKey

InChIKey=BQOHYSXSASDCEA-KEOHHSTQSA-N

SMILES

O[C@H]1[C@@]2(N3C4=C(N=C3)C(=N)N(C=N4)[C@@]5(O[C@@]([C@@H](O)[C@H]5O)(COP(=O)(O)OP(=O)(O)OC[C@@](O2)([C@H]1O)[H])[H])[H])[H]

Canonical SMILES

O=P1(O)OCC2OC(N3C=NC4=C(N=CN4C5OC(COP(=O)(O)O1)C(O)C5O)C3=N)C(O)C2O

Other Names for this Substance

  • Adenosine 5′-(trihydrogen diphosphate), 1-β-D-ribofuranosyl-, intramol. P′,5′′-ester
  • cADPR
  • cAPD ribose
  • Cyclic ADP-ribose
  • MeSH ID: D036563

Deleted or Replaced CAS Registry Numbers

143822-66-6, 150155-83-2, 1018828-36-8

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