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Substance Name: 1,4,5,6-Tetrahydronicotinamide adenine dinucleotide
RN: 31172-31-3
InChIKey: TXDOUQMFGDSHDX-NNYOXOHSSA-N

Molecular Weight

  • 667.459
 
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Names and Synonyms

Name of Substance

  • 1,4,5,6-Tetrahydronicotinamide adenine dinucleotide

Systematic Name

  • Adenosine 5'-(trihydrogen diphosphate), 5'-5'-ester with 1,4,5,6-tetrahydro-1-beta-D- ribofuranosyl-3-pyridinecarboxamide

Registry Numbers

CAS Registry Number

  • 31172-31-3

System Generated Number

  • 0031172313

Structure Descriptors

InChI

1S/C21H31N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h4,7-8,10-11,13-16,20-21,29-32H,1-3,5-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1

InChIKey

TXDOUQMFGDSHDX-NNYOXOHSSA-N

Smiles

C=1N([C@H]2[C@H](O)[C@H](O)[C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@@H](O)[C@@H](O)[C@@H](O2)n2cnc3c(N)ncnc23)CCCC1C(=O)N