<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">36934</id>
  <title nil="true"/>
  <common-name>Glucosylceramide (d18:1/16:0)</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>14035030</pubchem-id>
  <chemical-formula>C40H77NO8</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">2016-05-26T06:42:25Z</created-at>
  <updated-at type="dateTime">2026-04-03T02:54:17Z</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>CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC</moldb-smiles>
  <moldb-formula>C40H77NO8</moldb-formula>
  <moldb-inchi>InChI=1S/C40H77NO8/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(43)33(32-48-40-39(47)38(46)37(45)35(31-42)49-40)41-36(44)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27,29,33-35,37-40,42-43,45-47H,3-26,28,30-32H2,1-2H3,(H,41,44)/b29-27+/t33-,34+,35+,37+,38-,39+,40+/m0/s1</moldb-inchi>
  <moldb-inchikey>VJLLLMIZEJJZTE-NNTBDIJYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">700.0413</moldb-average-mass>
  <moldb-mono-mass type="decimal">699.564918445</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>CHEM035829</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00016932</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>148.71</moldb-polar-surface-area>
  <moldb-refractivity>198.18900000000002</moldb-refractivity>
  <moldb-polarizability>88.43571299595693</moldb-polarizability>
  <moldb-rotatable-bond-count>33</moldb-rotatable-bond-count>
  <moldb-acceptor-count>8</moldb-acceptor-count>
  <moldb-donor-count>6</moldb-donor-count>
  <moldb-pka-strongest-acidic>12.181223595454894</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>0.01939833913543909</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>1</moldb-number-of-rings>
  <moldb-alogps-logp>7.70</moldb-alogps-logp>
  <moldb-alogps-logs>-5.74</moldb-alogps-logs>
  <moldb-alogps-solubility>1.27e-03 g/l</moldb-alogps-solubility>
</compound>
