<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4197</id>
  <title>T3D4143</title>
  <common-name>Gonyautoxin 6</common-name>
  <description>Gonyautoxin 6 is a solid organic compound with the formula C10H17N7O8S and an average molecular weight of 395.35 g/mol. Gonyautoxin 6 belongs to the saxitoxins, gonyautoxins, and derivatives, a class of phenylpropanoids and polyketides within the organic compounds. This exogenous compound is found in or released from 13 recorded sources. These sources span several sectors, including Electrical &amp; Electronic Equipment such as cell phones, capacitors, wires and cables, batteries, and printed circuit boards; Textiles, leather &amp; furnishings, specifically synthetic textiles and carpets and rugs; Food, food processing &amp; cookware via food packaging; Healthcare, pharmaceuticals &amp; veterinary products through medical devices; and lubricants used in both Energy, oil &amp; gas and Industrial manufacturing &amp; chemical processing.

Recorded exposure routes for Gonyautoxin 6 include inhalation, oral, and touch.</description>
  <cas>82810-44-4</cas>
  <pubchem-id>56928156</pubchem-id>
  <chemical-formula>C10H17N7O8S</chemical-formula>
  <weight>395.35</weight>
  <appearance>White powder.</appearance>
  <melting-point></melting-point>
  <boiling-point></boiling-point>
  <density nil="true"/>
  <solubility></solubility>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure></route-of-exposure>
  <target nil="true"/>
  <mechanism-of-toxicity></mechanism-of-toxicity>
  <metabolism></metabolism>
  <toxicity></toxicity>
  <lethaldose></lethaldose>
  <carcinogenicity>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source></use-source>
  <min-risk-level></min-risk-level>
  <health-effects></health-effects>
  <symptoms></symptoms>
  <treatment></treatment>
  <created-at type="dateTime">2014-08-29T05:41:05Z</created-at>
  <updated-at type="dateTime">2026-08-26T18:53:36Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia></wikipedia>
  <uniprot-id></uniprot-id>
  <kegg-compound-id>C20019</kegg-compound-id>
  <omim-id></omim-id>
  <chebi-id></chebi-id>
  <biocyc-id></biocyc-id>
  <ctd-id></ctd-id>
  <stitch-id></stitch-id>
  <drugbank-id></drugbank-id>
  <pdb-id></pdb-id>
  <actor-id></actor-id>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>[H][C@@]12NC(=N)N[C@]11N(CCC1(O)O)C(=N)N(O)[C@@]2([H])COC(O)=NS(O)(=O)=O</moldb-smiles>
  <moldb-formula>C10H17N7O8S</moldb-formula>
  <moldb-inchi>InChI=1S/C10H17N7O8S/c11-6-13-5-4(3-25-8(18)15-26(22,23)24)17(21)7(12)16-2-1-9(19,20)10(5,16)14-6/h4-5,12,19-21H,1-3H2,(H,15,18)(H3,11,13,14)(H,22,23,24)/t4-,5-,10-/m0/s1</moldb-inchi>
  <moldb-inchikey>ALRRPAKWGUBPBK-HGRQIUPRSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">395.349</moldb-average-mass>
  <moldb-mono-mass type="decimal">395.085931245</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp></logp>
  <hmdb-id></hmdb-id>
  <chembl-id></chembl-id>
  <chemspider-id>30790889</chemspider-id>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference></synthesis-reference>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM003103</chemdb-id>
  <dsstox-id>DTXSID50880096</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00075601</susdat-id>
  <iupac>[(3aS,4R,10aS)-2-amino-5,10,10-trihydroxy-6-imino-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methoxycarbonylsulfamic acid</iupac>
  <moldb-polar-surface-area>235.11999999999995</moldb-polar-surface-area>
  <moldb-refractivity>101.18379999999999</moldb-refractivity>
  <moldb-polarizability>33.97645465445343</moldb-polarizability>
  <moldb-rotatable-bond-count>3</moldb-rotatable-bond-count>
  <moldb-acceptor-count>15</moldb-acceptor-count>
  <moldb-donor-count>9</moldb-donor-count>
  <moldb-pka-strongest-acidic>-2.025732712892629</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>9.727518626794373</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>3</moldb-number-of-rings>
  <moldb-alogps-logp>-1.78</moldb-alogps-logp>
  <moldb-alogps-logs>-2.60</moldb-alogps-logs>
  <moldb-alogps-solubility>9.85e-01 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Phenylpropanoids and polyketides</superklass>
  <klass>Saxitoxins, gonyautoxins, and derivatives</klass>
  <subklass nil="true"/>
  <paper-count type="integer">492</paper-count>
  <sync-id>CED0011170</sync-id>
  <structure-inchikey>ALRRPAKWGUBPBK-HGRQIUPRSA-N</structure-inchikey>
  <structure-fingerprint>10000080000000000000001004000000000200000000000000000000200c040000000000020000000004000000000000000000000000000000000000000000000000008000400100800020000000000500000004000000000000000000010000000008000000000800000000020100000000000001000000100400000008000000400000202010800022200001020000000000000000000000000000000000000000000000080000000000000040000000088000000000000008000100000000000000000000000000000000100000400000000000000080000000000000000102000000280000800000000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€�� 4��������h��������(�������h��������h������� $�������(�������`�������`������� ������`�������`�������(�������h��������(�������`������ 4��������`�������(�������(�������h��������(������� ������`�������(�������(����������� ��(��� �������������	�	
�	���� �(��� �������������� �� ��(������������������	�����B��������������	������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:01:07Z</structure-indexed-at>
</compound>
