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<compound>
  <id type="integer">41937</id>
  <title nil="true"/>
  <common-name>PS(18:0/18:0)</common-name>
  <description>PS(18:0/18:0) belongs to the glycerophosphoserines, a subclass of glycerophospholipids within the organic compounds. With an average molecular weight of 792.09 g/mol, PS(18:0/18:0) is a heavy molecule. It is identified by the chemical formula C42H82NO10P.

This compound is found in or released from one recorded source: Electrical &amp; Electronic Equipment (Amplifiers). In terms of biological activity, PS(18:0/18:0) interacts with ten recorded protein targets. These include the mitochondrial proenzyme phosphatidylserine decarboxylase (PISD), scavenger receptor class B member 1 (SCARB1), protein kinase C alpha type (PRKCA), and phosphatidylserine synthase 1 (PTDSS1), as well as six other proteins.</description>
  <cas>1446756-47-3</cas>
  <pubchem-id>9547096</pubchem-id>
  <chemical-formula>C42H82NO10P</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">2016-05-27T00:43:51Z</created-at>
  <updated-at type="dateTime">2026-05-14T16:24:15Z</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>DB00144</drugbank-id>
  <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@](N)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)C(O)=O</moldb-smiles>
  <moldb-formula>C42H82NO10P</moldb-formula>
  <moldb-inchi>InChI=1S/C42H82NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38-39H,3-37,43H2,1-2H3,(H,46,47)(H,48,49)/t38-,39+/m1/s1</moldb-inchi>
  <moldb-inchikey>TZCPCKNHXULUIY-RGULYWFUSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">792.089</moldb-average-mass>
  <moldb-mono-mass type="decimal">791.567634842</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>11.27</logp>
  <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>CHEM040832</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>(2S)-2-amino-3-({[(2R)-2,3-bis(octadecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)propanoic acid</iupac>
  <moldb-polar-surface-area>171.68</moldb-polar-surface-area>
  <moldb-refractivity>215.23780000000005</moldb-refractivity>
  <moldb-polarizability>96.14906474423556</moldb-polarizability>
  <moldb-rotatable-bond-count>44</moldb-rotatable-bond-count>
  <moldb-acceptor-count>7</moldb-acceptor-count>
  <moldb-donor-count>3</moldb-donor-count>
  <moldb-pka-strongest-acidic>1.4680339991787523</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>9.376604467850063</moldb-pka-strongest-basic>
  <moldb-physiological-charge>-1</moldb-physiological-charge>
  <moldb-number-of-rings>0</moldb-number-of-rings>
  <moldb-alogps-logp>4.95</moldb-alogps-logp>
  <moldb-alogps-logs>-7.07</moldb-alogps-logs>
  <moldb-alogps-solubility>6.74e-05 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Lipids and lipid-like molecules</superklass>
  <klass>Glycerophospholipids</klass>
  <subklass>Glycerophosphoserines</subklass>
  <paper-count type="integer">45</paper-count>
  <sync-id>CED0024132</sync-id>
  <structure-inchikey>TZCPCKNHXULUIY-RGULYWFUSA-N</structure-inchikey>
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  <structure-indexed-at type="dateTime">2026-09-19T04:11:17Z</structure-indexed-at>
</compound>
