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Substance Name: 6-Hydroxy-1,4,5,6-tetrahydronicotinamide adenine dinucleotide
RN: 54298-36-1
InChIKey: XDCUYNJYOKOZNK-KKTREJSZSA-N

Molecular Formula

  • C21-H31-N7-O15-P2

Molecular Weight

  • 683.4579
 
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Names and Synonyms

Name of Substance

  • 6-Hydroxy-1,4,5,6-tetrahydronicotinamide adenine dinucleotide

Synonym

  • NADHX

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 54298-36-1

System Generated Number

  • 0054298361

Structure Descriptors

InChI

1S/C21H31N7O15P2/c22-17-12-19(25-6-24-17)28(7-26-12)21-16(33)14(31)10(42-21)5-40-45(37,38)43-44(35,36)39-4-9-13(30)15(32)20(41-9)27-3-8(18(23)34)1-2-11(27)29/h6-10,13-16,20-21,30-33H,1-5H2,(H2,23,34)(H,35,36)(H,37,38)(H2,22,24,25)/t8?,9-,10-,13-,14-,15-,16-,20-,21-/m1/s1

InChIKey

XDCUYNJYOKOZNK-KKTREJSZSA-N

Smiles

NC(=O)C1CCC(=O)[NH+](C1)[C@@H]2O[C@H](COP(=O)(O)OP(=O)([O-])OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O