Nicotinic acid-adenine dinucleotide
CAS Registry Number®
6450-77-7
CAS Name
Nicotinic acid-adenine dinucleotideMolecular Formula
C21H26N6O15P2Cite this Page
Nicotinic acid-adenine dinucleotide. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=6450-77-7 (retrieved ) (CAS RN: 6450-77-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C21H26N6O15P2/c22-17-12-18(24-7-23-17)27(8-25-12)20-16(31)14(29)11(41-20)6-39-44(36,37)42-43(34,35)38-5-10-13(28)15(30)19(40-10)26-3-1-2-9(4-26)21(32)33/h1-4,7-8,10-11,13-16,19-20,28-31H,5-6H2,(H4-,22,23,24,32,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,19-,20-/m1/s1
InChIKey
InChIKey=SENPVEZBRZQVST-HISDBWNOSA-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([O-])=O)C=CC5)(=O)O)(=O)O)[C@H]1O
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(O)C3O)C(O)C2O
Other Names for this Substance
- Adenosine 5′-(trihydrogen diphosphate), 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 5′-(trihydrogen pyrophosphate), inner salt
- 3-Carboxy-1-β-D-ribofuranosylpyridinium hydroxide, 5′-ester with adenosine 5′-pyrophosphate, inner salt
- Adenine-nicotinic acid dinucleotide
- Codehydrogenase I, carboxy deamido analog
Deleted or Replaced CAS Registry Numbers
1183-79-5, 1476-40-0, 63293-04-9, 81932-62-9, 91918-20-6, 100659-17-4, 100849-28-3, 101123-76-6, 115962-96-4, 161395-10-4, 897946-91-7
