Chem
J-GLOBAL ID:200907041689727407   Nikkaji number:J55.606H

Gonyautoxin I

ゴニオトキシンI
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C10H17N7O9S
Molecular formula furigana: C10-H17-N7-O9-S
Molecular weight: 411.350
InChI: 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
InChI key: CETRDCWBMBILAL-XXKOCQOQSA-N
SMILES: NC(=O)OC[C@H]1[C@@H]2N=C(N)N[C@@]32N(C[C@@H](OS(=O)(=O)O)C3(O)O)C(=N)N1O
Systematic name  (5):
  • (3aS,10aS)-2-アミノ-4α-[[(アミノカルボニル)オキシ]メチル]-3aα,4,5,6,8,9-ヘキサヒドロ-5-ヒドロキシ-6-イミノ-1H,10H-ピロロ[1,2-c]プリン-9β,10,10-トリオール9-スルファート
  • (3aS,10aS)-2,6-ジイミノ-4α-(カルバモイルオキシメチル)-9β-(ヒドロキシスルホニルオキシ)-2,3,3aα,4,5,6,8,9-オクタヒドロ-1H,10H-ピロロ[1,2-c]プリン-5,10,10-トリオール
  • (3aS,10aS)-2,6(3H,5H)-ジイミノ-4α-(カルバモイルオキシメチル)-9β-(スルホオキシ)-3aα,4,8,9-テトラヒドロ-1H,10H-ピロロ[1,2-c]プリン-5,10,10-トリオール
  • [(3aS,4R,9R,10aS)-2-アミノ-4-[(カルバモイルオキシ)メチル]-5,10,10-トリヒドロキシ-6-イミノ-1H,3aH,4H,5H,6H,8H,9H,10H-ピロロ[1,2-c]プリン-9-イル]オキシダンスルホン酸
  • [(3aS,4R,9R,10aS)-2-amino-4-[(carbamoyloxy)methyl]-5,10,10-trihydroxy-6-imino-1H,3aH,4H,5H,6H,8H,9H,10H-pyrrolo[1,2-c]purin-9-yl]oxidanesulfonic acid
Other name (8):
  • ゴニオトキシンI
  • Gonyautoxin I
  • (3aS,10aS)-2-Amino-4α-[[(aminocarbonyl)oxy]methyl]-3aα,4,5,6,8,9-hexahydro-5-hydroxy-6-imino-1H,10H-pyrrolo[1,2-c]purine-9β,10,10-triol 9-sulfate
  • GTX1
  • (3aS,10aS)-2,6-Diimino-4α-(carbamoyloxymethyl)-9β-(hydroxysulfonyloxy)-2,3,3aα,4,5,6,8,9-octahydro-1H,10H-pyrrolo[1,2-c]purine-5,10,10-triol
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CAS registry number: 60748-39-2
KEGG COMPOUND: C16855
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