Gonyautoxin-5

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Systematic / IUPAC Name: [(3aS,4R,10aS)-2,6-Diamino-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methoxycarbonylsulfamic acid

ID: Reference8287

Other Names: Carbamic acid, sulfo-, C-((2,6-diamino-3a,4,9,10-tetrahydro-10,10-dihydroxy-1H,8H-pyrrolo(1,2-c)purin-4-yl)methyl) ester, (3aS-(3aα,4α,10aR*))-;
Carbamic acid, sulfo-, C-(((3aS,4R,10aS)-2,6-diamino-3a,4,9,10-tetrahydro-10,10-dihydroxy-1H,8H-pyrrolo(1,2-c)purin-4-yl)methyl) ester;
Gonyautoxin V

Formula: C10H17N7O7S

Class: Natural Toxins

Spectral Data

Gonyautoxin-5 mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion with FAIMS
No. of Spectral Trees 1
No. of Spectra 508
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 10/30/2018 7:38:33 AM
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Identificators

InChI InChI=1S/C10H17N7O7S/c11-6-14-5-4(3-24-8(18)16-25(21,22)23)13-7(12)17-2-1-9(19,20)10(5,17)15-6/h4-5,19-20H,1-3H2,(H2,12,13)(H,16,18)(H3,11,14,15)(H,21,22,23)/t4-,5-,10-/m0/s1
InChI Key JKKCSFJSULZNDN-HGRQIUPRSA-N
Canonical SMILES C1CN2C(=NC(C3C2(C1(O)O)NC(=N3)N)COC(=O)NS(=O)(=O)O)N
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Other Names Carbamic acid, sulfo-, C-((2,6-diamino-3a,4,9,10-tetrahydro-10,10-dihydroxy-1H,8H-pyrrolo(1,2-c)purin-4-yl)methyl) ester, (3aS-(3aα,4α,10aR*))-;
Carbamic acid, sulfo-, C-(((3aS,4R,10aS)-2,6-diamino-3a,4,9,10-tetrahydro-10,10-dihydroxy-1H,8H-pyrrolo(1,2-c)purin-4-yl)methyl) ester;
Gonyautoxin V

In Other Databases

ChemIDPlus 064296259; 122139780
Wikipedia Gonyautoxin
ChemSpider 94743
KEGG C20018
ChEMBL CHEMBL496271
PubChem 104996