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Substance Name: 3-Benzoylpyridine-adenine dinucleotide
RN: 104076-88-2
InChIKey: PDQBXNVFMIWCME-XXQHZGKUSA-N

Molecular Weight

  • 726.526
 
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Names and Synonyms

Name of Substance

  • 3-Benzoylpyridine-adenine dinucleotide

Synonym

  • Bz3PdAD

Registry Numbers

CAS Registry Number

  • 104076-88-2

System Generated Number

  • 0104076882

Structure Descriptors

InChI

1S/C27H32N6O14P2/c28-24-18-25(30-12-29-24)33(13-31-18)27-23(38)21(36)17(46-27)11-44-49(41,42)47-48(39,40)43-10-16-20(35)22(37)26(45-16)32-8-4-7-15(9-32)19(34)14-5-2-1-3-6-14/h1-6,8-9,12-13,16-17,20-23,26-27,35-38H,7,10-11H2,(H,39,40)(H,41,42)(H2,28,29,30)/t16-,17-,20-,21-,22-,23-,26-,27-/m1/s1

InChIKey

PDQBXNVFMIWCME-XXQHZGKUSA-N

Smiles

C(=O)(c1ccccc1)C1=CN(C=CC1)[C@H]1[C@H](O)[C@H](O)[C@H](O1)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O1)n1cnc2c(N)ncnc12