<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">320254</id>
  <title nil="true"/>
  <common-name>[3-carboxy-2-(3,10-dihydroxydodecanoyloxy)propyl]-trimethylazanium</common-name>
  <description>[3-carboxy-2-(3,10-dihydroxydodecanoyloxy)propyl]-trimethylazanium is a compound with the formula C19H38NO6+. It has an average molecular weight of 376.50 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>156961904</pubchem-id>
  <chemical-formula>C19H38NO6+</chemical-formula>
  <weight>376.5</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">2026-08-29T19:02:54Z</created-at>
  <updated-at type="dateTime">2026-08-29T19:02:54Z</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>CCC(CCCCCCC(CC(=O)OC(CC(=O)O)C[N+](C)(C)C)O)O</moldb-smiles>
  <moldb-formula>C19H38NO6+</moldb-formula>
  <moldb-inchi>InChI=1S/C19H37NO6/c1-5-15(21)10-8-6-7-9-11-16(22)12-19(25)26-17(13-18(23)24)14-20(2,3)4/h15-17,21-22H,5-14H2,1-4H3/p+1</moldb-inchi>
  <moldb-inchikey>ZFHWIWMRDNBQLH-UHFFFAOYSA-O</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">376.2699129</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.8</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>CHEM316147</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>[3-carboxy-2-(3,10-dihydroxydodecanoyloxy)propyl]-trimethylazanium</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 acid esters</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0271005</sync-id>
  <structure-inchikey>ZFHWIWMRDNBQLH-UHFFFAOYSA-O</structure-inchikey>
  <structure-fingerprint>40000000000000000400800000000004000000000000000000000000100000000000000002000003000200000000000004000002000000000010000000000000000000000000000400000000009008000020000000000100000000001000000000000000010000000008000000080000000000000000000000000800000000000000000040000000000000000000050000000000000000000000000000000000102000000000000000000000002000000000000000000000000000000000000000800000000000000000100000000000000000000000000000400000000000000000000000000000020000000000010400800000000000000000000000000200</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������(�������(�������(�������`�������`�������(�������(�������h��������`������ "�������`�������`�������`�������`�������`�������������������������������	�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:25:28Z</structure-indexed-at>
</compound>
