<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">136049</id>
  <title nil="true"/>
  <common-name>Selenium (75Se) norcholesterol</common-name>
  <description nil="true"/>
  <cas>63795-61-9</cas>
  <pubchem-id nil="true"/>
  <chemical-formula>C28H48OSe</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">2026-04-14T19:28:49Z</created-at>
  <updated-at type="dateTime">2026-05-14T19:35:20Z</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>DB13622</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>C[75Se]C[C@@H]1C[C@H]2[C@@H]3CC[C@H]([C@H](C)CCCC(C)C)[C@@]3(C)CC[C@@H]2C2=C1C[C@@H](O)CC2</moldb-smiles>
  <moldb-formula>C28H48OSe</moldb-formula>
  <moldb-inchi>InChI=1S/C28H48OSe/c1-18(2)7-6-8-19(3)26-11-12-27-25-15-20(17-30-5)24-16-21(29)9-10-22(24)23(25)13-14-28(26,27)4/h18-21,23,25-27,29H,6-17H2,1-5H3/t19-,20+,21+,23-,25-,26-,27+,28-/m1/s1/i30-4</moldb-inchi>
  <moldb-inchikey>AEVGUKVBCBHBNF-MJMUOCKJSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">475.614</moldb-average-mass>
  <moldb-mono-mass type="decimal">475.293039737</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>6.31</logp>
  <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>CHEM131942</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>(1S,5S,8R,10S,11S,14R,15R)-15-methyl-8-{[methyl(⁷⁵Se)selanyl]methyl}-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-2(7)-en-5-ol</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
</compound>
