333645 <common-name>1-[(e)-octadec-9-enoyl]oxy-2,5-dioxopyrrolidine-3-sulfonic acid</common-name> <description>1-[(e)-octadec-9-enoyl]oxy-2,5-dioxopyrrolidine-3-sulfonic acid is a compound with the formula C22H37NO7S. It has an average molecular weight of 459.60 g/mol.</description> <cas>135661-44-8</cas> <pubchem-id>22035214</pubchem-id> <chemical-formula>C22H37NO7S</chemical-formula> <weight>459.6</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">2026-08-30T15:08:51Z</created-at> <updated-at type="dateTime">2026-08-30T15:08:51Z</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)ON1C(=O)CC(C1=O)S(=O)(=O)O</moldb-smiles> <moldb-formula>C22H37NO7S</moldb-formula> <moldb-inchi>InChI=1S/C22H37NO7S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(25)30-23-20(24)18-19(22(23)26)31(27,28)29/h9-10,19H,2-8,11-18H2,1H3,(H,27,28,29)/b10-9+</moldb-inchi> <moldb-inchikey>LFZDKQJJMZRWMV-MDZDMXLPSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">459.2290737</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>6.3</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>CHEM329538</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>1-[(e)-octadec-9-enoyl]oxy-2,5-dioxopyrrolidine-3-sulfonic acid</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>Organoheterocyclic compounds</superklass> <klass>Pyrrolidines</klass> <subklass>Pyrrolidones</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0284126</sync-id> <structure-inchikey>LFZDKQJJMZRWMV-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4000000000040000000800000000000000000000000000000000000010000000000000022000020004000020000000000004000000000000000000000000000000000000800002000018000000004000020000000000300000000000000000001000022010000000000000000000000000000020100000000000008000040100000000040000000000000000000010000000000000000000000000000001000000000000000000000080000082009000000000088000000080000000000000010000008000000000000000000000000000000000000000000000010000000000001000000000000000000000000010400020000000000000000000000000000</structure-fingerprint> 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