337681 <common-name>[3-carboxy-2-(4-methylpentadecanoyloxy)propyl]-trimethylazanium</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>156961065</pubchem-id> <chemical-formula>C23H46NO4+</chemical-formula> <weight>400.6</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">2026-08-30T20:36:41Z</created-at> <updated-at type="dateTime">2026-08-30T20:36:41Z</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>CCCCCCCCCCCC(C)CCC(=O)OC(CC(=O)O)C[N+](C)(C)C</moldb-smiles> <moldb-formula>C23H46NO4+</moldb-formula> <moldb-inchi>InChI=1S/C23H45NO4/c1-6-7-8-9-10-11-12-13-14-15-20(2)16-17-23(27)28-21(18-22(25)26)19-24(3,4)5/h20-21H,6-19H2,1-5H3/p+1</moldb-inchi> <moldb-inchikey>NWAGBCRERWFMIX-UHFFFAOYSA-O</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">400.342684</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>6.8</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>CHEM333574</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-(4-methylpentadecanoyloxy)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>CED0288113</sync-id> <structure-inchikey>NWAGBCRERWFMIX-UHFFFAOYSA-O</structure-inchikey> <structure-fingerprint>40000000000000000400800000000004000000000000000000000000000000000000001002000003000000000000000004000002000000000000000000000000000000000000000400010100000008000020000000000100000000001000100000000020010000000000000000080000000000000000000000000800000000000000000040000000000000000000070000000000000000000000008000000000102000000000000000000000002000000000000048000000000000000000000000000008000000000000100000000000000000000002000000400000000000000000000000000000020000000000010400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>5000002001120e0089000100010820000000000805052000003000408200080c4402005000800000000041000080000004600085008c10010000643000a04000c6110400008004000080102000720100000404004001083240000422400009000c2001220048020040000000d5340000200080500105e0041118000002100002504400080ee0800808020240882c0008111c0812444014020004080000408080004310000010c00000000840016d25100ac00001880108001000001000400200801000a40480002200800000010102800000000002004000090000000800020000004810000000000000000100122004005000308042000c0000010050000002</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������(�������(�������(�������`�������`�������(�������(�������h��������`������ "�������`�������`�������`������������������������������� � � ������ � �������(��� �����������(��� ���������������B��������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:38:42Z</structure-indexed-at> </compound>