Nicotinic acid adenine dinucleotide phosphate

CAS Registry Number®

5502-96-5

CAS Name

Nicotinic acid adenine dinucleotide phosphate

Molecular Formula

C21H27N6O18P3

Cite this Page

Nicotinic acid adenine dinucleotide phosphate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5502-96-5 (retrieved 2024-11-22) (CAS RN: 5502-96-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H27N6O18P3/c22-17-12-18(24-7-23-17)27(8-25-12)20-16(44-46(33,34)35)14(29)11(43-20)6-41-48(38,39)45-47(36,37)40-5-10-13(28)15(30)19(42-10)26-3-1-2-9(4-26)21(31)32/h1-4,7-8,10-11,13-16,19-20,28-30H,5-6H2,(H6-,22,23,24,31,32,33,34,35,36,37,38,39)/t10-,11-,13-,14-,15-,16-,19-,20-/m1/s1

InChIKey

InChIKey=QOTXBMGJKFVZRD-HISDBWNOSA-N

SMILES

O(P(=O)(O)O)[C@H]1[C@@H](O[C@H](COP(OP(OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)[N+]=3C=C(C(O)=O)C=CC3)(=O)[O-])(=O)O)[C@H]1O)N4C=5C(N=C4)=C(N)N=CN5

Canonical SMILES

O=C(O)C1=CC=C[N+](=C1)C2OC(COP(=O)([O-])OP(=O)(O)OCC3OC(N4C=NC=5C(=NC=NC54)N)C(OP(=O)(O)O)C3O)C(O)C2O

Other Names for this Substance

  • Adenosine 5′-(trihydrogen diphosphate), 2′-(dihydrogen phosphate), P′→5′-ester with 3-carboxy-1-β-D-ribofuranosylpyridinium, inner salt
  • Pyridinium, 3-carboxy-1-β-D-ribofuranosyl-, hydroxide, 5′→5′-ester with adenosine 2′-(dihydrogen phosphate) 5′-(trihydrogen pyrophosphate), inner salt
  • Nicotine-TPN
  • Nicotinic acid adenine dinucleotide phosphate
  • NAADP+

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Deleted or Replaced CAS Registry Numbers

196083-48-4, 1095047-58-7

CAS INSIGHTSTM
Targeted protein degrader structure, illustration