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<compound>
  <id type="integer">337066</id>
  <title nil="true"/>
  <common-name>(8e,17e,19e)-18-bromo-16-hydroxytricosa-8,17,19-trien-4,6-diynoic acid</common-name>
  <description>(8e,17e,19e)-18-bromo-16-hydroxytricosa-8,17,19-trien-4,6-diynoic acid is a compound with the formula C23H31BrO3. It has an average molecular weight of 435.40 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>10455625</pubchem-id>
  <chemical-formula>C23H31BrO3</chemical-formula>
  <weight>435.4</weight>
  <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">2026-08-30T19:46:26Z</created-at>
  <updated-at type="dateTime">2026-08-30T19:46:26Z</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>CCCC=CC(=CC(CCCCCCC=CC#CC#CCCC(=O)O)O)Br</moldb-smiles>
  <moldb-formula>C23H31BrO3</moldb-formula>
  <moldb-inchi>InChI=1S/C23H31BrO3/c1-2-3-14-17-21(24)20-22(25)18-15-12-10-8-6-4-5-7-9-11-13-16-19-23(26)27/h4-5,14,17,20,22,25H,2-3,6,8,10,12,15-16,18-19H2,1H3,(H,26,27)/b5-4+,17-14+,21-20+</moldb-inchi>
  <moldb-inchikey>OPRGCPSNLIJMIG-LSKPYBFKSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">434.14566</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>6.4</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>CHEM332959</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>(8e,17e,19e)-18-bromo-16-hydroxytricosa-8,17,19-trien-4,6-diynoic acid</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"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Lipids and lipid-like molecules</superklass>
  <klass>Fatty Acyls</klass>
  <subklass>Fatty acids and conjugates</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0287514</sync-id>
  <structure-inchikey>OPRGCPSNLIJMIG-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000001000000000000800000000000000001000000000400000000100000408000000002000000000000000000000084004004000000000000000000000000020000000000000000000000000000000020000020000200000000801040000001004020010002000020000000000000000000000000000000008000000000080000000040004000000040000000010000000000000000000000000000000000110000000000000000880000000000000400000080000000020000000200000000000008000000000000000000000000000400000000000000428000000000000000000000000000000000000000010400000000000000000000014000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:38:17Z</structure-indexed-at>
</compound>
