87910 <common-name>[Bis(2-hydroxyethyl)]methyl[2-[(1-oxooctadecyl)oxy]ethyl]ammonium methyl sulphate</common-name> <description>[Bis(2-hydroxyethyl)]methyl[2-[(1-oxooctadecyl)oxy]ethyl]ammonium methyl sulphate belongs to the fatty acid esters, a subclass of fatty acyls within the organic compounds. It is categorized under the superclass of lipids and lipid-like molecules. With an average molecular weight of 541.79 g/mol, [Bis(2-hydroxyethyl)]methyl[2-[(1-oxooctadecyl)oxy]ethyl]ammonium methyl sulphate is a heavy molecule. Its chemical formula is C25H51NO4.</description> <cas nil="true"/> <pubchem-id nil="true"/> <chemical-formula>C25H51NO4</chemical-formula> <weight nil="true"/> <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">2026-04-04T22:27:28Z</created-at> <updated-at type="dateTime">2026-04-04T22:27:28Z</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>COS([O-])(=O)=O.CCCCCCCCCCCCCCCCCC(=O)OCC[N+](C)(CCO)CCO</moldb-smiles> <moldb-formula>C25H51NO4</moldb-formula> <moldb-inchi>InChI=1/C25H51NO4.CH4O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(29)30-23-20-26-24(18-21-27)19-22-28;1-5-6(2,3)4/h24,26-28H,2-23H2,1H3;1H3,(H,2,3,4)</moldb-inchi> <moldb-inchikey>BBFOCPUTMUUPRR-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">541.79</moldb-average-mass> <moldb-mono-mass type="decimal">429.3818091</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <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>CHEM083803</chemdb-id> <dsstox-id>DTXSID10885441</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00048554</susdat-id> <iupac nil="true"/> <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">0</paper-count> <sync-id>CED0119667</sync-id> <structure-inchikey>JTDPANUOJONAEX-UHFFFAOYSA-M</structure-inchikey> <structure-fingerprint>400000000000000008000000000000000100000000000000000020000000000000000020000000000000200000010002000020008000000000042000000000000000000000000000100000000080000200000040001000010000000000000000000200100000000400000000000000000400000000020000000000000001080200000400000000000000000000100000000000000000000000000000010000000000400000000000000000020010000000000080000000a0000000000000000000008000000000000000000000000000020000000000000000000000000000000000000000000000000000000010400000000000000000000000000000000</structure-fingerprint> 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