36241 <common-name>15-Keto-13,14-dihydroprostaglandin A2</common-name> <description nil="true"/> <cas>74872-89-2</cas> <pubchem-id>5283042</pubchem-id> <chemical-formula>C20H30O4</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">2016-05-26T05:31:07Z</created-at> <updated-at type="dateTime">2026-04-03T02:56:21Z</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(CCCC(O)=O)=C(\[H])C[C@@]1([H])C(=O)C=C[C@]1([H])CCC(=O)CCCCC</moldb-smiles> <moldb-formula>C20H30O4</moldb-formula> <moldb-inchi>InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,13,15-16,18H,2-3,5-6,8-12,14H2,1H3,(H,23,24)/b7-4+/t16-,18+/m0/s1</moldb-inchi> <moldb-inchikey>FMKLAIBZMCURLI-VCUNKILJSA-N</moldb-inchikey> <moldb-average-mass type="decimal">334.456</moldb-average-mass> <moldb-mono-mass type="decimal">334.214409446</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>4446169</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>CHEM035136</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00016946</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>71.44</moldb-polar-surface-area> <moldb-refractivity>97.09919999999995</moldb-refractivity> <moldb-polarizability>39.08644848456176</moldb-polarizability> <moldb-rotatable-bond-count>13</moldb-rotatable-bond-count> <moldb-acceptor-count>4</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>4.352559727615073</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-4.935905732087984</moldb-pka-strongest-basic> <moldb-physiological-charge>-1</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>4.13</moldb-alogps-logp> <moldb-alogps-logs>-4.46</moldb-alogps-logs> <moldb-alogps-solubility>1.16e-02 g/l</moldb-alogps-solubility> </compound>