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Substance Name: O(2',3')-(2,4,6-Trinitrophenyl)-8-azidoadenosine triphosphate
RN: 120218-67-9
InChIKey: IWTOZZJRQNAEHP-SYVPZPJLSA-M

Note

  • Affinity probe for the Ca+-ATPase of sarcoplasmic reticulum.

Molecular Formula

  • C16-H15-N11-O19-P3

Molecular Weight

  • 758.2745
 
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Names and Synonyms

Name of Substance

  • O(2',3')-(2,4,6-Trinitrophenyl)-8-azidoadenosine triphosphate

Synonyms

  • 2',3'-O-(2,4,6-Trinitrophenyl) 8-azido-ATP
  • 2,3-Tpaatp
  • Tnp-8-azido-ATP

Systematic Name

  • Adenosine 5'-(tetrahydrogen triphosphate), 8-azido-2',3'-O-(2,4,6-trinitro-2,4-cyclohexadien-1-ylidene)-, ion(1-)

Registry Numbers

CAS Registry Number

  • 120218-67-9

System Generated Number

  • 0120218679

Structure Descriptors

InChI

1S/C16H16N11O19P3/c17-12-8-13(20-4-19-12)24(15(21-8)22-23-18)14-10-9(7(42-14)3-41-48(37,38)46-49(39,40)45-47(34,35)36)43-16(44-10)2-5(25(28)29)1-6(26(30)31)11(16)27(32)33/h1,4,7,9-10,14H,2-3H2,(H,37,38)(H,39,40)(H2,17,19,20)(H2,34,35,36)/p-1/t7-,9-,10-,14-,16?/m1/s1

InChIKey

IWTOZZJRQNAEHP-SYVPZPJLSA-M

Smiles

c1nc(c2c(n1)n(c(n2)N=[N+]=[N-])[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)([O-])OP(=O)(O)OP(=O)(O)O)OC5(O4)CC(=CC(=C5[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])N