<?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 paralytic shellfish toxin. It can breaks the vicious circle of pain and spasm that leads to anal fissure. It is the most unstable toxin in any condition and at temperatures lower than 4 °C there is no important change in the other toxins in the first year of storage. </description>
  <cas>82810-44-4</cas>
  <pubchem-id>56928156</pubchem-id>
  <chemical-formula>C10H17N7O8S</chemical-formula>
  <weight nil="true"/>
  <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">2026-05-21T00:20:00Z</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 nil="true"/>
  <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>
</compound>
