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Substance Name: Adenosine-N(6)-diethylthioether-N'-pyridoximine 5'-phosphate
RN: 120151-99-7
InChIKey: UNZWIPPZCSNPQR-FLKMVPKXSA-N

Note

  • Metabolite of vitamin B6 found only in tumor tissue.

Molecular Formula

  • C22-H30-N7-O9-P-S

Molecular Weight

  • 599.559
 
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Names and Synonyms

Name of Substance

  • Adenosine-N(6)-diethylthioether-N'-pyridoximine 5'-phosphate

Synonym

  • Adtepp

Systematic Name

  • Adenosine, N-(2-((2-(((3-hydroxy-2-methyl-5-((phosphonooxy)methyl)-4-pyridinyl)methylene)amino)ethyl)thio)ethyl)-

Registry Numbers

CAS Registry Number

  • 120151-99-7

System Generated Number

  • 0120151997

Structure Descriptors

InChI

1S/C22H30N7O9PS/c1-12-17(31)14(13(6-25-12)9-37-39(34,35)36)7-23-2-4-40-5-3-24-20-16-21(27-10-26-20)29(11-28-16)22-19(33)18(32)15(8-30)38-22/h6-7,10-11,15,18-19,22,30-33H,2-5,8-9H2,1H3,(H,24,26,27)(H2,34,35,36)/b23-7+/t15-,18-,19-,22?/m1/s1

InChIKey

UNZWIPPZCSNPQR-FLKMVPKXSA-N

Smiles

OC[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O1)n1cnc2c(NCCSCC\N=C\c3c(c(ncc3COP(=O)(O)O)C)O)ncnc12