<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">308912</id>
  <title nil="true"/>
  <common-name>(e,8s)-10-[3-(5-bromopent-4-ynyl)oxiran-2-yl]-8-hydroxydec-9-enoic acid</common-name>
  <description>(e,8s)-10-[3-(5-bromopent-4-ynyl)oxiran-2-yl]-8-hydroxydec-9-enoic acid belongs to the medium-chain hydroxy acids and derivatives, a subclass of hydroxy acids and derivatives within the organic compounds. This organic acid and derivative has the chemical formula C17H25BrO4 and an average molecular weight of 373.30 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>137323817</pubchem-id>
  <chemical-formula>C17H25BrO4</chemical-formula>
  <weight>373.3</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">2026-08-29T03:21:12Z</created-at>
  <updated-at type="dateTime">2026-08-29T03:21:12Z</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>C(CCCC(=O)O)CCC(C=CC1C(O1)CCCC#CBr)O</moldb-smiles>
  <moldb-formula>C17H25BrO4</moldb-formula>
  <moldb-inchi>InChI=1S/C17H25BrO4/c18-13-7-3-5-9-15-16(22-15)12-11-14(19)8-4-1-2-6-10-17(20)21/h11-12,14-16,19H,1-6,8-10H2,(H,20,21)/b12-11+/t14-,15?,16?/m0/s1</moldb-inchi>
  <moldb-inchikey>AXEPHILFMYPAOZ-OSSVZDDVSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">372.09362</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.6</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>CHEM304805</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>(e,8s)-10-[3-(5-bromopent-4-ynyl)oxiran-2-yl]-8-hydroxydec-9-enoic 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>Organic acids and derivatives</superklass>
  <klass>Hydroxy acids and derivatives</klass>
  <subklass>Medium-chain hydroxy acids and derivatives</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0259929</sync-id>
  <structure-inchikey>AXEPHILFMYPAOZ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000000800000000000000001000000000400000000500000200000000000000000000000020000000004000004000000000000000000000000000000200000000000000000200000004020800020000200000000801000000000020000090000008000000000000000000000000000000000000000000000100000000000000000000002000000010000000000000000000008000000001100110000000000000000000000000000000000000000000000000800000008000000000008000000000000008000000004000000000000000000400000000000000010000000000000000000000000010440000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>40000020010206000800010001002000000000000205200000300040020000044002000000800000000041000080000004200084008c10010000643000a00000c6110400000000000080102000620100000400004001003254000432100009000c380000004002000000000144340001200080500004600411080000021000024044000804e0800808020208882c001811140012444014020004080010400000004120000010c00000002840016c25100ac00001080108001000000000400200002000840400000200800000010102800000020002004000090000000800000000000e00000000000000040000022004083000108042000c0000010050000000</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`�������(�������(�������h��������`�������`�������`�������h��������h��������`�������`������� ������`�������`�������`�������(�������(�����#� ������`��������������������(��� �������	�	
�
����������������������������	�����B�����������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:16:45Z</structure-indexed-at>
</compound>
