94822 <common-name>Methyl 9,11,15-trihydroxy-15-methylprosta-4,5,13-trien-1-oate</common-name> <description>Methyl 9,11,15-trihydroxy-15-methylprosta-4,5,13-trien-1-oate belongs to the fatty acid esters, a subclass of fatty acyls within the organic compounds. It is classified as a lipid and lipid-like molecule with the chemical formula C22H36O5. The compound has an average molecular weight of 380.52 g/mol.</description> <cas nil="true"/> <pubchem-id>73859796</pubchem-id> <chemical-formula>C22H36O5</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">2026-04-05T03:01:36Z</created-at> <updated-at type="dateTime">2026-04-05T03:01:36Z</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>CCCCCC(C)(O)C=CC1C(O)CC(O)C1CC=C=CCCC(=O)OC</moldb-smiles> <moldb-formula>C22H36O5</moldb-formula> <moldb-inchi>InChI=1/C22H36O5/c1-4-5-10-14-22(2,26)15-13-18-17(19(23)16-20(18)24)11-8-6-7-9-12-21(25)27-3/h7-8,13,15,17-20,23-24,26H,4-5,9-12,14,16H2,1-3H3</moldb-inchi> <moldb-inchikey>GNIYHUSSKSFYBD-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">380.525</moldb-average-mass> <moldb-mono-mass type="decimal">380.2562743</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>21235585</chemspider-id> <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>CHEM090715</chemdb-id> <dsstox-id>DTXSID60866402</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00056688</susdat-id> <iupac>Methyl 9,11,15-trihydroxy-15-methylprosta-4,5,13-trien-1-oate</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 acid esters</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0119732</sync-id> <structure-inchikey>GNIYHUSSKSFYBD-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20000000000000000800000002000000000000004000010000000000004000000000002000000000000000000000000804800000000000004000000000000000000000000000000410000000000000020100020000300000041000000000000000020010000000040400800000001000000020000000000000000000000100000000040000800000000000000000088000000000000000008000020400000800800080000000080000000002000000000000008000000000000000000000008000008000000000000000000040800000000080000002000000000000000000000000000000000000000000000090400000800000000000000000000000100</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`�������`������� ������`�������`�������h��������h��������`�������`�������`�������`�������`�������`�������`�������`�������h��������(�������h��������`�������`�������(�������(�������(�������`������������������������������� �� � ������ � ����������������(���(������������(��� ���� �B����� � ������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:36:02Z</structure-indexed-at> </compound>