357977 <common-name>2-[[(2r)-2-[(7z,10z,13z,16z)-docosa-7,10,13,16-tetraenoyl]oxy-3-[(z)-octadec-1-enoxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium</common-name> <description>2-[[(2r)-2-[(7z,10z,13z,16z)-docosa-7,10,13,16-tetraenoyl]oxy-3-[(z)-octadec-1-enoxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium is a compound with the formula C48H89NO7P+. With an average molecular weight of 823.20 g/mol, 2-[[(2r)-2-[(7z,10z,13z,16z)-docosa-7,10,13,16-tetraenoyl]oxy-3-[(z)-octadec-1-enoxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>52923975</pubchem-id> <chemical-formula>C48H89NO7P+</chemical-formula> <weight>823.2</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">2026-09-01T05:21:52Z</created-at> <updated-at type="dateTime">2026-09-01T05:21:52Z</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>CCCCCCCCCCCCCCCCC=COCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCC=CCC=CCC=CCC=CCCCCC</moldb-smiles> <moldb-formula>C48H89NO7P+</moldb-formula> <moldb-inchi>InChI=1S/C48H88NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)56-47(46-55-57(51,52)54-44-42-49(3,4)5)45-53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,25-26,29,31,40,43,47H,6-13,15,17-19,21,23-24,27-28,30,32-39,41-42,44-46H2,1-5H3/p+1/b16-14-,22-20-,26-25-,31-29-,43-40-/t47-/m1/s1</moldb-inchi> <moldb-inchikey>VDLGCGQWZPLRIL-PRDDZFMDSA-O</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">822.6376662</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>15.4</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>CHEM353870</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-[[(2r)-2-[(7z,10z,13z,16z)-docosa-7,10,13,16-tetraenoyl]oxy-3-[(z)-octadec-1-enoxy]propoxy]-hydroxyphosphoryl]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>Glycerophospholipids</klass> <subklass>Glycerophosphocholines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0308225</sync-id> <structure-inchikey>VDLGCGQWZPLRIL-UHFFFAOYSA-O</structure-inchikey> <structure-fingerprint>400400000000000004008000000002040000000000000000800000000000000000000000020000010000000002000000000040020000000000000000020000000000000000000000100100000000180000200000000003000000000000000000010000200110040000000000002004008000400008000000000008000000000000200000400000000000000000000100000000000010000020000000000010000000000000000000000880000020010000000000c8000000000000000000000000000208000000000000100000000000020000000000080000000010000000000000000000020000000040000000010400080000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ����������������9���8���€���`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������h��������h��������(�������`�������`�������`������� ������ ������(�������`������� ������`�������`������ "�������`�������`�������`�������(�������(�������(�������`�������`�������`�������`�������`�������h��������h��������`�������h��������h��������`�������h��������h��������`�������h��������h��������`�������`�������`�������`�������`������������������������������� � � ������ � ����������(��� ����������������������������������������� ��!�!" "#(�"$�$%�%&�&'�'(�()�)*��*+�+,�,-��-.�./�/0��01�12�23��34�45�56�67�78�B��������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:55:42Z</structure-indexed-at> </compound>