41048 <common-name>3-Oxooctadecanoic acid</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>5283005</pubchem-id> <chemical-formula>C18H34O3</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">2016-05-26T19:22:28Z</created-at> <updated-at type="dateTime">2026-04-05T06:56:08Z</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>CCCCCCCCCCCCCCCC(=O)CC(O)=O</moldb-smiles> <moldb-formula>C18H34O3</moldb-formula> <moldb-inchi>InChI=1S/C18H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(19)16-18(20)21/h2-16H2,1H3,(H,20,21)</moldb-inchi> <moldb-inchikey>YQGGUZWHNVQJMF-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">298.4608</moldb-average-mass> <moldb-mono-mass type="decimal">298.250794954</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>CHEM039943</chemdb-id> <dsstox-id>DTXSID70993617</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00062415</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>54.37</moldb-polar-surface-area> <moldb-refractivity>86.97879999999999</moldb-refractivity> <moldb-polarizability>38.165332661644584</moldb-polarizability> <moldb-rotatable-bond-count>16</moldb-rotatable-bond-count> <moldb-acceptor-count>3</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>4.442108390075651</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-7.537532992598466</moldb-pka-strongest-basic> <moldb-physiological-charge>-1</moldb-physiological-charge> <moldb-number-of-rings>0</moldb-number-of-rings> <moldb-alogps-logp>6.51</moldb-alogps-logp> <moldb-alogps-logs>-5.98</moldb-alogps-logs> <moldb-alogps-solubility>3.15e-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">22</paper-count> <sync-id>CED0029156</sync-id> </compound>