36487 <common-name>8,9-Epoxyeicosatrienoic acid</common-name> <description>8,9-Epoxyeicosatrienoic acid belongs to the fatty acids and conjugates, a subclass of fatty acyls within the organic compounds. This lipid-like molecule has the chemical formula C20H32O3 and an average molecular weight of 320.47 g/mol.</description> <cas>81246-85-7</cas> <pubchem-id nil="true"/> <chemical-formula>C20H32O3</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">2016-05-26T05:43:05Z</created-at> <updated-at type="dateTime">2026-04-05T14:26:27Z</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>[H]\C(CCCCC)=C(\[H])C\C([H])=C(/[H])CC1OC1C\C([H])=C(/[H])CCCC(O)=O</moldb-smiles> <moldb-formula>C20H32O3</moldb-formula> <moldb-inchi>InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-12-15-18-19(23-18)16-13-10-11-14-17-20(21)22/h6-7,9-10,12-13,18-19H,2-5,8,11,14-17H2,1H3,(H,21,22)/b7-6+,12-9+,13-10+</moldb-inchi> <moldb-inchikey>DBWQSCSXHFNTMO-QPZDSRGTSA-N</moldb-inchikey> <moldb-average-mass type="decimal">320.473</moldb-average-mass> <moldb-mono-mass type="decimal">320.23514489</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <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>CHEM035382</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00074056</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>49.83</moldb-polar-surface-area> <moldb-refractivity>98.35829999999997</moldb-refractivity> <moldb-polarizability>38.549216366958674</moldb-polarizability> <moldb-rotatable-bond-count>14</moldb-rotatable-bond-count> <moldb-acceptor-count>3</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>4.460725440501144</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-4.207091544372091</moldb-pka-strongest-basic> <moldb-physiological-charge>-1</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>6.25</moldb-alogps-logp> <moldb-alogps-logs>-6.00</moldb-alogps-logs> <moldb-alogps-solubility>3.20e-04 g/l</moldb-alogps-solubility> <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">192</paper-count> <sync-id>CED0015484</sync-id> <structure-inchikey>DBWQSCSXHFNTMO-QPZDSRGTSA-N</structure-inchikey> <structure-fingerprint>800000000000000000000000000000000000000000000000000002000000000000000000000004004000000000000000000000000000000000000000000000010000200000042020800000000200000000000000000001000020010000000000000000000000000000200000000000000000000000100000000040000000000002000000000000000000001000000000000000000000810000000000000000080000000000000000000088000000000000000000000000000048000000000000000000000000020000000000000000400014000000000000000000000000000040000000010440000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>40000020011206000800010001002000000000000005200000300040020000044002000000800000000041000080000004200084000c10010000643000a00000c6110000000000000080102000620100000400004001001254000432100009000c300000004002000000000144340000200080500004600411080000021000024044000804e0800808020208882c000811140002444014020004080010400000004100000010c00000002840016425100ac00001080108000000000000400200000000840400000000800000010002000000000002004000090000000800000000000c00000000000000040000022004081000108042000c0000010050000000</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAXAAAAFwAAAIABBgA4AAAAAwEEBgBgAAAA AgIGAGAAAAACAgYAYAAAAAICBgBgAAAAAgIGAGAAAAABAwYAOAAAAAMBBAYA YAAAAAICBgA4AAAAAwEEBgA4AAAAAwEEBgBgAAAAAgIGAGAAAAADAQgAIAAA AAIGAGAAAAADAQYAYAAAAAICBgA4AAAAAwEEBgA4AAAAAwEEBgBgAAAAAgIG AGAAAAACAgYAYAAAAAICBgAoAAAAAwQIAGgAAAADAQEIACgAAAADAgsAAQQD AQIAAgMAAwQABAUAAAYKAgMCAQcGBwQEBwgEAwgJCgIDAgcKCQoEAwoLAAsM AAwNAA0OAA4PBAMPEAoCAwIOERARBAMREgASEwATFAAUFSAUFigCDQsAQgEA AAADCwwNFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:11:03Z</structure-indexed-at> </compound>