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<compound>
  <id type="integer">355881</id>
  <title nil="true"/>
  <common-name>2-[hydroxy-[(2s,3r)-3-hydroxy-2-[[(z)-octadec-9-enoyl]amino]octadecoxy]phosphoryl]oxyethyl-trimethylazanium</common-name>
  <description>2-[hydroxy-[(2s,3r)-3-hydroxy-2-[[(z)-octadec-9-enoyl]amino]octadecoxy]phosphoryl]oxyethyl-trimethylazanium is a chemical compound with the formula C41H84N2O6P+. With an average molecular weight of 732.10 g/mol, 2-[hydroxy-[(2s,3r)-3-hydroxy-2-[[(z)-octadec-9-enoyl]amino]octadecoxy]phosphoryl]oxyethyl-trimethylazanium is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>24779573</pubchem-id>
  <chemical-formula>C41H84N2O6P+</chemical-formula>
  <weight>732.1</weight>
  <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">2026-09-01T00:53:28Z</created-at>
  <updated-at type="dateTime">2026-09-01T00:53:28Z</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(C(COP(=O)(O)OCC[N+](C)(C)C)NC(=O)CCCCCCCC=CCCCCCCCC)O</moldb-smiles>
  <moldb-formula>C41H84N2O6P+</moldb-formula>
  <moldb-inchi>InChI=1S/C41H83N2O6P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-41(45)42-39(38-49-50(46,47)48-37-36-43(3,4)5)40(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,39-40,44H,6-19,22-38H2,1-5H3,(H-,42,45,46,47)/p+1/b21-20-/t39-,40+/m0/s1</moldb-inchi>
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  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">731.6067004</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>13</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
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  <structure-image-content-type nil="true"/>
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  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM351774</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>2-[hydroxy-[(2s,3r)-3-hydroxy-2-[[(z)-octadec-9-enoyl]amino]octadecoxy]phosphoryl]oxyethyl-trimethylazanium</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Lipids and lipid-like molecules</superklass>
  <klass>Sphingolipids</klass>
  <subklass>Phosphosphingolipids</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0306131</sync-id>
  <structure-inchikey>XYLWKHKCYHMVMA-UHFFFAOYSA-O</structure-inchikey>
  <structure-fingerprint>400400000040000000008000000006000000000000000000800000001000000000800000020000010000000000000000000040020000000000000000020000000000000000000000100100000000080000200000000003000000000010000000010000200110000080000000002000818000400000000000000008000000000000200000400000000000000000000100800000000000000000000000000010001000000000000000000880000000010000000000880000000000000000000000000000080000000000000000000000000000000000000a0000000010004080000000000000020000000000000000010400000002000000000000000000000000</structure-fingerprint>
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  <structure-indexed-at type="dateTime">2026-09-19T05:53:46Z</structure-indexed-at>
</compound>
