329282 <common-name>11-[(z,3z)-1-cyano-3-[3-(3-sulfopropyl)-1,3-thiazolidin-2-ylidene]prop-1-enyl]sulfonylundecanoic acid</common-name> <description>11-[(z,3z)-1-cyano-3-[3-(3-sulfopropyl)-1,3-thiazolidin-2-ylidene]prop-1-enyl]sulfonylundecanoic acid is a chemical compound with the formula C21H34N2O7S3. With an average molecular weight of 522.70 g/mol, 11-[(z,3z)-1-cyano-3-[3-(3-sulfopropyl)-1,3-thiazolidin-2-ylidene]prop-1-enyl]sulfonylundecanoic acid is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>6912911</pubchem-id> <chemical-formula>C21H34N2O7S3</chemical-formula> <weight>522.7</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">2026-08-30T09:27:18Z</created-at> <updated-at type="dateTime">2026-08-30T09:27:18Z</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>C1CSC(=CC=C(C#N)S(=O)(=O)CCCCCCCCCCC(=O)O)N1CCCS(=O)(=O)O</moldb-smiles> <moldb-formula>C21H34N2O7S3</moldb-formula> <moldb-inchi>InChI=1S/C21H34N2O7S3/c22-18-19(11-12-20-23(14-15-31-20)13-9-17-33(28,29)30)32(26,27)16-8-6-4-2-1-3-5-7-10-21(24)25/h11-12H,1-10,13-17H2,(H,24,25)(H,28,29,30)/b19-11-,20-12-</moldb-inchi> <moldb-inchikey>HQQHVJAMQMCASB-YZLQMOBTSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">522.152815</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.5</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>CHEM325175</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>11-[(z,3z)-1-cyano-3-[3-(3-sulfopropyl)-1,3-thiazolidin-2-ylidene]prop-1-enyl]sulfonylundecanoic 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>Lipids and lipid-like molecules</superklass> <klass>Fatty Acyls</klass> <subklass>Fatty acids and conjugates</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0279850</sync-id> <structure-inchikey>HQQHVJAMQMCASB-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000000040000000000000000020000000000800000000000000000020000000004001000080000000000000040000000040000000000000000008000000000000020000030000200000000000000000000000600110000000000000000000020000000020100010000800000000000000000000000000000404002000001014000000000000000000000000000001000010001000100000000000000088000040000100000000000088000000000000000000008010000000100000000000000808000000000000000500000000000000040000000000000000000000000010400000000001000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ����������������!���!���€���`�������`������� ������(�������h��������h��������(�������(�������(������� ������(�������(�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������(�������(�������h��������(�������`�������`�������`������� ������(�������(�������`�����������������(��� ��(��� ��(�� � �� ��� ��� � ����������������������������(��� �� ��������������������� ����B��������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:32:09Z</structure-indexed-at> </compound>