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Substance Name: 3-Acetylpyridine-adenine dinucleotide phosphate
RN: 341-67-3
InChIKey: CWZSJEPJRFQEBR-RBEMOOQDSA-N

Molecular Formula

  • C22-H29-N6-O17-P3

Molecular Weight

  • 742.4181
 
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Names and Synonyms

Name of Substance

  • 3-Acetylpyridine-adenine dinucleotide phosphate

Synonym

  • 3-Acetylpyridine-nadp

Systematic Name

  • Adenosine 5'-(trihydrogen diphosphate), 2'-(dihydrogen phosphate), P'-5'-ester with 3-acetyl-1-beta-D-ribofuranosylpyridinium inner salt

Registry Numbers

CAS Registry Number

  • 341-67-3

System Generated Number

  • 0000341673

Structure Descriptors

InChI

1S/C22H29N6O17P3/c1-10(29)11-3-2-4-27(5-11)21-17(32)15(30)12(42-21)6-40-47(36,37)45-48(38,39)41-7-13-16(31)18(44-46(33,34)35)22(43-13)28-9-26-14-19(23)24-8-25-20(14)28/h2-5,8-9,12-13,15-18,21-22,30-32H,6-7H2,1H3,(H5-,23,24,25,33,34,35,36,37,38,39)/t12-,13-,15-,16-,17-,18-,21-,22-/m1/s1

InChIKey

CWZSJEPJRFQEBR-RBEMOOQDSA-N

Smiles

CC(=O)c1ccc[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)OP(=O)(O)O)O)O)O