358241 <common-name>2-[[(2r)-2-[(7z,10z,13z,16z)-docosa-7,10,13,16-tetraenoyl]oxy-3-[(z)-nonadec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium</common-name> <description>2-[[(2r)-2-[(7z,10z,13z,16z)-docosa-7,10,13,16-tetraenoyl]oxy-3-[(z)-nonadec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium is a chemical compound with the formula C49H89NO8P+. With an average molecular weight of 851.20 g/mol, 2-[[(2r)-2-[(7z,10z,13z,16z)-docosa-7,10,13,16-tetraenoyl]oxy-3-[(z)-nonadec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>52923050</pubchem-id> <chemical-formula>C49H89NO8P+</chemical-formula> <weight>851.2</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">2026-09-01T05:51:29Z</created-at> <updated-at type="dateTime">2026-09-01T05:51:29Z</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>CCCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCC=CCC=CCC=CCC=CCCCCC</moldb-smiles> <moldb-formula>C49H89NO8P+</moldb-formula> <moldb-inchi>InChI=1S/C49H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-26-28-30-32-34-36-38-40-42-49(52)58-47(46-57-59(53,54)56-44-43-50(3,4)5)45-55-48(51)41-39-37-35-33-31-29-27-23-21-19-17-15-13-11-9-7-2/h14,16,20,22-23,25-27,30,32,47H,6-13,15,17-19,21,24,28-29,31,33-46H2,1-5H3/p+1/b16-14-,22-20-,26-25-,27-23-,32-30-/t47-/m1/s1</moldb-inchi> <moldb-inchikey>PEQJWMOOCQZGDB-PCKYNFDASA-O</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">850.6325808</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>14.5</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>CHEM354134</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)-nonadec-9-enoyl]oxypropoxy]-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>CED0308489</sync-id> <structure-inchikey>PEQJWMOOCQZGDB-UHFFFAOYSA-O</structure-inchikey> <structure-fingerprint>400400000000000004008000000002040000100000000000800000000000000000000000020000010000000000000000000040020000000000000000020000000000000000000000100100000000080000200000040003000000004000000000010000200110000000000000002000008000400000000000000008010000000000200000400000000000000000000100000000000010000020000000000010000000000000000000000880000020010000000000c8000000000000000000000000000208000000000000100000000000020000000000080000000010000000000000000000020000000040000000010400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ����������������;���:���€���`�������`�������`�������`�������`�������`�������`�������`�������`�������h��������h��������`�������`�������`�������`�������`�������`�������`�������(�������(�������(�������`�������`�������`������� ������ ������(�������`������� ������`�������`������ "�������`�������`�������`�������(�������(�������(�������`�������`�������`�������`�������`�������h��������h��������`�������h��������h��������`�������h��������h��������`�������h��������h��������`�������`�������`�������`�������`������������������������������� � �� ������ � ����������������(��� ����������������������������������� ��!��"��#�#$ $%(�$&�&'�'(�()�)*�*+�+,��,-�-.�./��/0�01�12��23�34�45��56�67�78�89�9:�B��������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:55:56Z</structure-indexed-at> </compound>