22807 <common-name>Dopamine 3-O-sulfate</common-name> <description nil="true"/> <cas>51317-41-0</cas> <pubchem-id>122136</pubchem-id> <chemical-formula>C8H11NO5S</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">2016-05-25T18:10:25Z</created-at> <updated-at type="dateTime">2026-04-06T09:05:06Z</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>NCCC1=CC(OS(O)(=O)=O)=C(O)C=C1</moldb-smiles> <moldb-formula>C8H11NO5S</moldb-formula> <moldb-inchi>InChI=1S/C8H11NO5S/c9-4-3-6-1-2-7(10)8(5-6)14-15(11,12)13/h1-2,5,10H,3-4,9H2,(H,11,12,13)</moldb-inchi> <moldb-inchikey>NZKRYJGNYPYXJZ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">233.242</moldb-average-mass> <moldb-mono-mass type="decimal">233.035793157</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>CHEM021702</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00116026</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>109.84999999999998</moldb-polar-surface-area> <moldb-refractivity>53.24000000000001</moldb-refractivity> <moldb-polarizability>21.201640694643448</moldb-polarizability> <moldb-rotatable-bond-count>4</moldb-rotatable-bond-count> <moldb-acceptor-count>5</moldb-acceptor-count> <moldb-donor-count>3</moldb-donor-count> <moldb-pka-strongest-acidic>-2.065613083530857</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>9.69097547001141</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>-1.22</moldb-alogps-logp> <moldb-alogps-logs>-1.76</moldb-alogps-logs> <moldb-alogps-solubility>4.06e+00 g/l</moldb-alogps-solubility> </compound>