<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">46890</id>
  <title nil="true"/>
  <common-name>6-Methylthioinosin</common-name>
  <description nil="true"/>
  <cas>342-69-8</cas>
  <pubchem-id>237358</pubchem-id>
  <chemical-formula>C11H14N4O4S</chemical-formula>
  <weight nil="true"/>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2016-06-03T13:41:15Z</created-at>
  <updated-at type="dateTime">2026-03-26T22:18:31Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CSC1=NC=NC2=C1N=CN2C1OC(CO)C(O)C1O</moldb-smiles>
  <moldb-formula>C11H14N4O4S</moldb-formula>
  <moldb-inchi>InChI=1S/C11H14N4O4S/c1-20-10-6-9(12-3-13-10)15(4-14-6)11-8(18)7(17)5(2-16)19-11/h3-5,7-8,11,16-18H,2H2,1H3</moldb-inchi>
  <moldb-inchikey>ZDRFDHHANOYUTE-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">298.32</moldb-average-mass>
  <moldb-mono-mass type="decimal">298.073576121</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>207239</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 nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM045785</chemdb-id>
  <dsstox-id>DTXSID5030454</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin>BfG,Schüsener 2015</stoff-ident-origin>
  <stoff-ident-id>SI00008989</stoff-ident-id>
  <susdat-id>NS00004404</susdat-id>
  <iupac>2-(hydroxymethyl)-5-[6-(methylsulfanyl)-9H-purin-9-yl]oxolane-3,4-diol</iupac>
</compound>
