Acetylpyridine adenine dinucleotide
CAS Registry Number®
86-08-8
CAS Name
Acetylpyridine adenine dinucleotideMolecular Formula
C22H28N6O14P2Cite this Page
Acetylpyridine adenine dinucleotide. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=86-08-8 (retrieved ) (CAS RN: 86-08-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C22H28N6O14P2/c1-10(29)11-3-2-4-27(5-11)21-17(32)15(30)12(40-21)6-38-43(34,35)42-44(36,37)39-7-13-16(31)18(33)22(41-13)28-9-26-14-19(23)24-8-25-20(14)28/h2-5,8-9,12-13,15-18,21-22,30-33H,6-7H2,1H3,(H3-,23,24,25,34,35,36,37)/t12-,13-,15-,16-,17-,18-,21-,22-/m1/s1
InChIKey
InChIKey=KPVQNXLUPNWQHM-RBEMOOQDSA-N
SMILES
O[C@H]1[C@H](N2C=3C(N=C2)=C(N)N=CN3)O[C@H](COP(OP(OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)[N+]=5C=C(C(C)=O)C=CC5)(=O)[O-])(=O)O)[C@H]1O
Canonical SMILES
O=C(C1=CC=C[N+](=C1)C2OC(COP(=O)([O-])OP(=O)(O)OCC3OC(N4C=NC=5C(=NC=NC54)N)C(O)C3O)C(O)C2O)C
Other Names for this Substance
- Adenosine 5′-(trihydrogen diphosphate), P′→5′-ester with 3-acetyl-1-β-D-ribofuranosylpyridinium, inner salt
- Pyridinium, 3-acetyl-1-β-D-ribofuranosyl-, hydroxide, 5′→5′-ester with adenosine 5′-(trihydrogen pyrophosphate), inner salt
- Adenosine 5′-(trihydrogen diphosphate), P′→5′-ester with 3-acetyl-1-β-D-ribofuranosylpyridinium hydroxide, inner salt
- 3-Acetyl-1-β-D-ribofuranosylpyridinium hydroxide, 5′-ester with adenosine 5′-diphosphate, inner salt
- Adenosine 5′-(trihydrogen pyrophosphate), 5′→5′-ester with 3-acetyl-1-β-D-ribofuranosylpyridinium hydroxide, inner salt
Deleted or Replaced CAS Registry Numbers
13838-04-5, 23684-64-2, 26368-22-9
