1-Hexadecanoyl-2-octadecanoyl-sn-glycero-3-phosphocholine

Catalog NumberBL-M000171
CAS Number59403-51-9
Description1-hexadecanoyl-2-octadecanoyl-sn-glycero-3-phosphocholine is a phosphatidylcholine 34:0 in which the 1- and 2-acyl groups are specified as hexadecanoyl (palmitoyl) and octadecanoyl (stearoyl) respectively. It is also used as a potential plasma biomarker associated with type 2 diabetes mellitus and diabetic nephropathy.
IUPAC Name[(2R)-3-hexadecanoyloxy-2-octadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
SynonymsPC(16:0/18:0); Phosphatidylcholine(16:0/18:0); 1-Palmitoyl-2-stearoyl-sn-glycero-3-phosphorylcholine; PSPC
Molecular Weight762.09
Molecular FormulaC42H84NO8P
Canonical SMILESCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C42H84NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h40H,6-39H2,1-5H3/t40-/m1/s1
InChI KeyPZNPLUBHRSSFHT-RRHRGVEJSA-N

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