Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 3-Chloroacetylpyridine-adenine dinucleotide
RN: 39938-03-9
InChIKey: CLRURTWFYZNXCP-RBEMOOQDSA-N

Molecular Formula

  • C22-H27-Cl-N6-O14-P2

Molecular Weight

  • 696.8843
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • 3-Chloroacetylpyridine-adenine dinucleotide

Synonym

  • CAPAD

Systematic Names

  • Adenosine 5'-(trihydrogen diphosphate), 5'-5'-ester with 3-(chloroacetyl)-1-beta-D-ribofuranosylpyridinium hydroxide, inner salt
  • Adenosine 5'-(trihydrogen diphosphate), 5'-5'-ester with 3-(chloroacetyl)-1-beta-D-ribofuranosylpyridium hydroxide, inner salt

Registry Numbers

CAS Registry Number

  • 39938-03-9

System Generated Number

  • 0039938039

Structure Descriptors

InChI

1S/C22H27ClN6O14P2/c23-4-11(30)10-2-1-3-28(5-10)21-17(33)15(31)12(41-21)6-39-44(35,36)43-45(37,38)40-7-13-16(32)18(34)22(42-13)29-9-27-14-19(24)25-8-26-20(14)29/h1-3,5,8-9,12-13,15-18,21-22,31-32,34H,4,6-7H2,(H,35,36)(H,37,38)(H2,24,25,26)/t12-,13-,15-,16-,17-,18-,21-,22-/m1/s1

InChIKey

CLRURTWFYZNXCP-RBEMOOQDSA-N

Smiles

c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)[O-])C(=O)CCl