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Substance Name: Gonyautoxin I
RN: 60748-39-2
InChIKey: CETRDCWBMBILAL-XXKOCQOQSA-N

Note

  • Gonyantoxin IV is isomer of gonyautoxin I.

Molecular Formula

  • C10-H17-N7-O9-S

Molecular Weight

  • 411.3503
 
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Names and Synonyms

Name of Substance

  • Gonyautoxin I

Synonyms

  • Gonyautoxin 1
  • Gonyautoxin I
  • Gonyautoxin-I
  • GTX I
  • GTX1
  • Toxin GTX1

Systematic Names

  • 1H,10H-Pyrrolo(1,2-c)purine-9,10,10-triol, 2-amino-4-(((aminocarbonyl)oxy)methyl)-3a,4,5,6,8,9-hexahydro-5-hydroxy-6-imino-, 9-(hydrogen sulfate), (3aS,4R,9R,10aS)-
  • 1H,10H-Pyrrolo(1,2-c)purine-9,10,10-triol, 2-amino-4-(((aminocarbonyl)oxy)methyl)-3a,4,5,6,8,9-hexahydro-5-hydroxy-6-imino-, 9-(hydrogen sulfate), (3aS-(3aalpha,4alpha,9beta,10aR*))-
  • GTX1

Registry Numbers

CAS Registry Number

  • 60748-39-2

System Generated Number

  • 0060748392

Structure Descriptors

InChI

1S/C10H17N7O9S/c11-6-14-5-3(2-25-8(13)18)17(21)7(12)16-1-4(26-27(22,23)24)10(19,20)9(5,16)15-6/h3-5,12,19-21H,1-2H2,(H2,13,18)(H3,11,14,15)(H,22,23,24)/t3-,4+,5-,9-/m0/s1

InChIKey

CETRDCWBMBILAL-XXKOCQOQSA-N

Smiles

NC(=O)OC[C@H]1[C@@H]2N=C(N)N[C@]23N(C[C@@H](OS(=O)(=O)O)C3(O)O)C(=N)N1O