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Substance Name: Adenosine triphosphopyridoxal
RN: 101418-63-7
InChIKey: DGTZIRGKHKQBEL-XKLVTHTNSA-N

Molecular Formula

  • C18-H23-N6-O15-P3

Molecular Weight

  • 656.329
 
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Names and Synonyms

Name of Substance

  • Adenosine triphosphopyridoxal

Synonym

  • AP3-PL

Systematic Name

  • Adenosine 5'-(tetrahydrogen triphosphate), mono((4-formyl-5-hydroxy-6-methyl-3-pyridinyl)methyl) ester

Registry Numbers

CAS Registry Number

  • 101418-63-7

System Generated Number

  • 0101418637

Structure Descriptors

InChI

1S/C18H23N6O15P3/c1-8-13(26)10(3-25)9(2-20-8)4-35-40(29,30)38-42(33,34)39-41(31,32)36-5-11-14(27)15(28)18(37-11)24-7-23-12-16(19)21-6-22-17(12)24/h2-3,6-7,11,14-15,18,26-28H,4-5H2,1H3,(H,29,30)(H,31,32)(H,33,34)(H2,19,21,22)/t11-,14-,15-,18-/m1/s1

InChIKey

DGTZIRGKHKQBEL-XKLVTHTNSA-N

Smiles

O(Cc1c(c(c(nc1)C)O)C=O)[P@@](O[P@@](=O)(O[P@@](OC[C@@H]1[C@H]([C@H]([C@@H](n2c3ncnc(N)c3nc2)O1)O)O)(O)=O)O)(O)=O