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Substance Name: beta-Methylene selenazole-4-carboxamide adenine dinucleotide
RN: 151868-71-2
InChIKey: BQVYVGJIUMNETO-HVIRUEHBSA-N

Note

  • The active selenium derivative of beta-TAD.

Molecular Formula

  • C20-H27-N7-O13-P2-Se

Molecular Weight

  • 714.377
 
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Names and Synonyms

Name of Substance

  • beta-Methylene selenazole-4-carboxamide adenine dinucleotide

Synonyms

  • beta-Methylene sad
  • beta-Sad

Systematic Name

  • Adenosine, 5'-(hydrogen(phosphonomethyl)phosphonate), P'-5'-ester with 2-beta-D-ribofuranosyl-4-selenazolecarboxamide

Registry Numbers

CAS Registry Number

  • 151868-71-2

System Generated Number

  • 0151868712

Structure Descriptors

InChI

1S/C20H27N7O13P2Se/c21-16-10-18(24-4-23-16)27(5-25-10)20-14(31)12(29)9(40-20)2-38-42(35,36)6-41(33,34)37-1-8-11(28)13(30)15(39-8)19-26-7(3-43-19)17(22)32/h3-5,8-9,11-15,20,28-31H,1-2,6H2,(H2,22,32)(H,33,34)(H,35,36)(H2,21,23,24)/t8-,9-,11-,12-,13-,14-,15-,20-/m1/s1

InChIKey

BQVYVGJIUMNETO-HVIRUEHBSA-N

Smiles

[se]1c(nc(c1)C(N)=O)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO[P@@](C[P@@](OC[C@H]1O[C@@H](n2c3ncnc(c3nc2)N)[C@@H]([C@@H]1O)O)(=O)O)(O)=O