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Substance Name: Benzamide adenine nucleotide
RN: 156724-91-3
InChIKey: HNKKJJHKTPALEK-RACQCECLSA-N

Molecular Formula

  • C22-H28-N6-O14-P2

Molecular Weight

  • 662.439
 
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Names and Synonyms

Name of Substance

  • Benzamide adenine nucleotide

Systematic Name

  • Adenosine 5'-(trihydrogen diphosphate), P'-5'-ester with 3-beta-D-ribofuranosylbenzamide

Registry Numbers

CAS Registry Number

  • 156724-91-3

System Generated Number

  • 0156724913

Structure Descriptors

InChI

1S/C22H28N6O14P2/c23-19-13-21(26-7-25-19)28(8-27-13)22-17(32)15(30)12(41-22)6-39-44(36,37)42-43(34,35)38-5-11-14(29)16(31)18(40-11)9-2-1-3-10(4-9)20(24)33/h1-4,7-8,11-12,14-18,22,29-32H,5-6H2,(H2,24,33)(H,34,35)(H,36,37)(H2,23,25,26)/t11-,12-,14-,15-,16-,17-,18+,22-/m1/s1

InChIKey

HNKKJJHKTPALEK-RACQCECLSA-N

Smiles

O1[C@@H](n2c3ncnc(N)c3nc2)[C@@H]([C@@H]([C@H]1CO[P@@](=O)(O)O[P@@](=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)c1cc(ccc1)C(=O)N)O)O)O