36220 <common-name>Leukotriene C4</common-name> <description>Leukotriene C4 is an organic compound with the chemical formula C30H47N3O9S. Leukotriene C4 belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. With an average molecular weight of 625.78 g/mol, Leukotriene C4 is a heavy molecule. This compound is found in or released from two recorded sources: antennas in electrical and electronic equipment, and tents or canopies in building and construction. Regarding its biological activity, Leukotriene C4 acts as an agonist for three recorded protein targets: multidrug resistance-associated protein 1 (ABCC1), cysteinyl leukotriene receptor 1 (CYSLTR1), and cysteinyl leukotriene receptor 2 (CYSLTR2).</description> <cas>72025-60-6</cas> <pubchem-id>5280493</pubchem-id> <chemical-formula>C30H47N3O9S</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">2016-05-26T05:30:10Z</created-at> <updated-at type="dateTime">2026-05-14T19:00:09Z</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>DB08855</drugbank-id> <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>[H]\C(CCCCC)=C(\[H])C\C([H])=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(/[H])[C@@]([H])(SC[C@]([H])(N=C(O)CC[C@]([H])(N)C(O)=O)C(O)=NCC(O)=O)[C@@]([H])(O)CCCC(O)=O</moldb-smiles> <moldb-formula>C30H47N3O9S</moldb-formula> <moldb-inchi>InChI=1S/C30H47N3O9S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(34)15-14-17-27(36)37)43-21-23(29(40)32-20-28(38)39)33-26(35)19-18-22(31)30(41)42/h6-7,9-13,16,22-25,34H,2-5,8,14-15,17-21,31H2,1H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)(H,41,42)/b7-6+,10-9+,12-11+,16-13+/t22-,23-,24-,25+/m0/s1</moldb-inchi> <moldb-inchikey>GWNVDXQDILPJIG-BTRGRIABSA-N</moldb-inchikey> <moldb-average-mass type="decimal">625.78</moldb-average-mass> <moldb-mono-mass type="decimal">625.303301279</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-0.015</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>CHEM035115</chemdb-id> <dsstox-id>DTXSID00903946</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00069771</susdat-id> <iupac>(5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-[(4S)-4-amino-4-carboxybutanamido]-2-[(carboxymethyl)carbamoyl]ethyl]sulfanyl}-5-hydroxyicosa-7,9,11,14-tetraenoic acid</iupac> <moldb-polar-surface-area>223.32999999999996</moldb-polar-surface-area> <moldb-refractivity>169.55440000000007</moldb-refractivity> <moldb-polarizability>69.34307697105459</moldb-polarizability> <moldb-rotatable-bond-count>25</moldb-rotatable-bond-count> <moldb-acceptor-count>12</moldb-acceptor-count> <moldb-donor-count>7</moldb-donor-count> <moldb-pka-strongest-acidic>1.9713370434506778</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>9.536150513187476</moldb-pka-strongest-basic> <moldb-physiological-charge>-2</moldb-physiological-charge> <moldb-number-of-rings>0</moldb-number-of-rings> <moldb-alogps-logp>0.57</moldb-alogps-logp> <moldb-alogps-logs>-5.34</moldb-alogps-logs> <moldb-alogps-solubility>2.88e-03 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organic acids and derivatives</superklass> <klass>Carboxylic acids and derivatives</klass> <subklass>Amino acids, peptides, and analogues</subklass> <paper-count type="integer">8365</paper-count> <sync-id>CED0003439</sync-id> <structure-inchikey>GWNVDXQDILPJIG-BTRGRIABSA-N</structure-inchikey> <structure-fingerprint>400000000000000000008000000008000010000000000000000000001000000000000200020000000001000000000000040040000000800000000000000000100001000000000000000100000000008000200000000002000000040090000000010020200100010000000000000000800a0000000000000000000000000000000000000040001000040002000100000000001008001000000080000000000000010000000000000000080000000000000000180088000001000000000000000000100008000000000001008000040000020000000000000000408010004010010020000000c00840000040000000011500000000000001000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ����������������+���*���€���8��������`�������`�������`�������`�������`�������8��������`�������8��������8��������8��������8��������8��������8������� 4�������� ������`������ 4��������(�������(�������h��������`�������`������ 4��������`�������(�������h��������(�������(�������h��������(�������`�������(�������h��������(������ 4��������`�������`�������`�������`�������(�������h��������(������������������������ �������������� *���� $� �*��� ���$�� *����� �����������������(��� ����������������� ��(������ ��(����� � ! "(��#�#$�#%�%&�&'�'(�() (*(�B��������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:10:56Z</structure-indexed-at> </compound>