36591 <common-name>Prostaglandin D3</common-name> <description nil="true"/> <cas>71902-47-1</cas> <pubchem-id nil="true"/> <chemical-formula>C20H30O5</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">2016-05-26T05:48:34Z</created-at> <updated-at type="dateTime">2026-04-06T10:22:10Z</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(CC)=C(\[H])C[C@]([H])(O)C(\[H])=C(/[H])[C@@]1([H])C(=O)C[C@]([H])(O)[C@]1([H])C\C([H])=C(/[H])CCCC(O)=O</moldb-smiles> <moldb-formula>C20H30O5</moldb-formula> <moldb-inchi>InChI=1S/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h3-4,6-7,12-13,15-18,21-22H,2,5,8-11,14H2,1H3,(H,24,25)/b6-3+,7-4+,13-12+/t15-,16+,17+,18-/m0/s1</moldb-inchi> <moldb-inchikey>ANOICLBSJIMQTA-YSUVRJCPSA-N</moldb-inchikey> <moldb-average-mass type="decimal">350.455</moldb-average-mass> <moldb-mono-mass type="decimal">350.209324066</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>CHEM035486</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00120151</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>94.83</moldb-polar-surface-area> <moldb-refractivity>100.55169999999998</moldb-refractivity> <moldb-polarizability>39.76588875728998</moldb-polarizability> <moldb-rotatable-bond-count>11</moldb-rotatable-bond-count> <moldb-acceptor-count>5</moldb-acceptor-count> <moldb-donor-count>3</moldb-donor-count> <moldb-pka-strongest-acidic>4.404553463335216</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-1.635846608129408</moldb-pka-strongest-basic> <moldb-physiological-charge>-1</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>2.88</moldb-alogps-logp> <moldb-alogps-logs>-3.62</moldb-alogps-logs> <moldb-alogps-solubility>8.48e-02 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Lipids and lipid-like molecules</superklass> <klass>Fatty Acyls</klass> <subklass>Eicosanoids</subklass> </compound>