<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">320235</id>
  <title nil="true"/>
  <common-name>[3-carboxy-2-(7-methylundecanoyloxy)propyl]-trimethylazanium</common-name>
  <description>[3-carboxy-2-(7-methylundecanoyloxy)propyl]-trimethylazanium is a compound with the formula C19H38NO4+. It has an average molecular weight of 344.50 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>156960974</pubchem-id>
  <chemical-formula>C19H38NO4+</chemical-formula>
  <weight>344.5</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">2026-08-29T19:01:10Z</created-at>
  <updated-at type="dateTime">2026-08-29T19:01:10Z</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>CCCCC(C)CCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C</moldb-smiles>
  <moldb-formula>C19H38NO4+</moldb-formula>
  <moldb-inchi>InChI=1S/C19H37NO4/c1-6-7-11-16(2)12-9-8-10-13-19(23)24-17(14-18(21)22)15-20(3,4)5/h16-17H,6-15H2,1-5H3/p+1</moldb-inchi>
  <moldb-inchikey>KPCPRCIJLYZZDM-UHFFFAOYSA-O</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">344.2800837</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.6</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>CHEM316128</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-(7-methylundecanoyloxy)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 nil="true"/>
  <superklass nil="true"/>
  <klass nil="true"/>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0270986</sync-id>
  <structure-inchikey>KPCPRCIJLYZZDM-UHFFFAOYSA-O</structure-inchikey>
  <structure-fingerprint>40000000000000000400800000000004000000000000000000000000000000000000001002000003000000000000000004000002000000000000000000000000000000000000000400010100000008000020000000000100000000001000100000000020010000000000000000080000000000000000000000000800000000000000000040000000000000000000070000000000000000000000000000001000102000000000800000000000002001000000000040000000000000000000000000000008000000000000100000000000000000000000000000400000000000000000000000000000020000000000010400000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>5000002001120e0088000100010820000000000805052000003000408200000c4402005000800000000041000080000004200085008c10010000643000a04000c6110400000004000080102000620100000404004001083240000422400009000c2000020048020040000000d4340000200080500105e0041118000002100002504400080ce0800808020240882c000811140812444014020004080000408080004310000010c00000000840016d25100ac00001880108001000001000400200801000a40480000200800000010102800000000002004000090000000800020000000810000000000000000100122004001000308042000c0000010050000002</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������(�������(�������(�������`�������`�������(�������(�������h��������`������ "�������`�������`�������`�������������������������������	�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:25:27Z</structure-indexed-at>
</compound>
