<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">24262</id>
  <title nil="true"/>
  <common-name>Lysozyme</common-name>
  <description nil="true"/>
  <cas>9001-63-2</cas>
  <pubchem-id nil="true"/>
  <chemical-formula>C8H15NOS2</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">2016-05-25T20:52:20Z</created-at>
  <updated-at type="dateTime">2026-04-14T19:21:16Z</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>DB13260</drugbank-id>
  <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>[H][C@@]1(CCCCC(O)=N)CCSS1</moldb-smiles>
  <moldb-formula>C8H15NOS2</moldb-formula>
  <moldb-inchi>InChI=1S/C8H15NOS2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H2,9,10)/t7-/m1/s1</moldb-inchi>
  <moldb-inchikey>FCCDDURTIIUXBY-SSDOTTSWSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">205.33</moldb-average-mass>
  <moldb-mono-mass type="decimal">205.059506455</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <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>CHEM023157</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac nil="true"/>
  <moldb-polar-surface-area>44.08</moldb-polar-surface-area>
  <moldb-refractivity>67.1302</moldb-refractivity>
  <moldb-polarizability>22.051581854028875</moldb-polarizability>
  <moldb-rotatable-bond-count>5</moldb-rotatable-bond-count>
  <moldb-acceptor-count>2</moldb-acceptor-count>
  <moldb-donor-count>2</moldb-donor-count>
  <moldb-pka-strongest-acidic>-0.0641361870180317</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>13.208440917503353</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>1</moldb-number-of-rings>
  <moldb-alogps-logp>2.47</moldb-alogps-logp>
  <moldb-alogps-logs>-3.29</moldb-alogps-logs>
  <moldb-alogps-solubility>1.06e-01 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organoheterocyclic compounds</superklass>
  <klass>Dithiolanes</klass>
  <subklass>Lipoamides</subklass>
  <paper-count type="integer">139460</paper-count>
  <sync-id>CED0024262</sync-id>
</compound>
