345667 <common-name>2-hydroxyethyl-(2-hydroxy-3-sulfopropyl)-methyl-[2-[[(e)-octadec-9-enoyl]amino]ethyl]azanium</common-name> <description>2-hydroxyethyl-(2-hydroxy-3-sulfopropyl)-methyl-[2-[[(e)-octadec-9-enoyl]amino]ethyl]azanium is a compound with the formula C26H53N2O6S+. With an average molecular weight of 521.80 g/mol, 2-hydroxyethyl-(2-hydroxy-3-sulfopropyl)-methyl-[2-[[(e)-octadec-9-enoyl]amino]ethyl]azanium is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>6441846</pubchem-id> <chemical-formula>C26H53N2O6S+</chemical-formula> <weight>521.8</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">2026-08-31T08:36:16Z</created-at> <updated-at type="dateTime">2026-08-31T08:36:16Z</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>CCCCCCCCC=CCCCCCCCC(=O)NCC[N+](C)(CCO)CC(CS(=O)(=O)O)O</moldb-smiles> <moldb-formula>C26H53N2O6S+</moldb-formula> <moldb-inchi>InChI=1S/C26H52N2O6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(31)27-19-20-28(2,21-22-29)23-25(30)24-35(32,33)34/h10-11,25,29-30H,3-9,12-24H2,1-2H3,(H-,27,31,32,33,34)/p+1/b11-10+</moldb-inchi> <moldb-inchikey>DUGQFSLZSYUOCE-ZHACJKMWSA-O</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">521.3624336</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.7</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>CHEM341560</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>2-hydroxyethyl-(2-hydroxy-3-sulfopropyl)-methyl-[2-[[(e)-octadec-9-enoyl]amino]ethyl]azanium</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 amides</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0296023</sync-id> <structure-inchikey>DUGQFSLZSYUOCE-UHFFFAOYSA-O</structure-inchikey> <structure-fingerprint>400000000040000000008000000000000000000000000000040000021000000000000000020000000000000200000010000040020800000000000042000000000000000000000000000184008000080000200010000002000000000000000000010000200100000000000000000000000000400000400000000008000000000000000200400000000040000000000100800000000000000080100000000010000000000000000000000800000000000000000000880000000a0000000000000000000008000004000000000000000000000000000000020020000010000000000000000000000000000000000002010400000000000000000000000000000200</structure-fingerprint> 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