1-Hexadecanoyl-sn-glycero-3-phosphoethanolamine

Base Information

• Chemical Name: 1-Hexadecanoyl-sn-glycero-3-phosphoethanolamine
• CAS No.: 53862-35-4
• Molecular Formula: C21H44NO7P
• Molecular Weight: 453.55
• DSSTox Substance ID: DTXSID701334443
• Nikkaji Number: J221.515B
• Wikidata: Q27140332
• Metabolomics Workbench ID: 16375
• Mol file: 53862-35-4.mol

Synonyms:1-hexadecanoyl-sn-glycero-3-phosphoethanolamine;LPE(16:0/0:0);16:0 LYSO-PE;1-palmitoyl-sn-glycero-3-phosphoethanolamine;PE(16:0/0:0);Lyso-PE(16:0);1-Palmitoyl-sn-glycerophosphatidylethanolamine;Lyso-PE(16:0/0:0);Lysophosphatidylethanolamine(16:0);1-palmitoyl-phosphatidylethenolamine;1-palmitoyl-2-hydroxy-sn-glycero-3-phosphoethanolamine;1-Palmitoyl-sn-glycerol-3-L-alpha-phosphorylethanolamine;53862-35-4;Lysophosphatidylethanolamine(16:0/0:0);1-Palmitoyl-2-hydroxy-sn-glycero-3-PE;1-16:0-lysoPE;[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] hexadecanoate;(2R)-3-{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate;Hexadecanoic acid, 3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-hydroxypropyl ester, (R)-;SCHEMBL274798;LysoPE(16:0/0:0);CHEBI:73134;DTXSID701334443;1-palmitoyl-phosphatidylethanolamine;1-16:0-lysophosphatidylethanolamine;LMGP02050002;AS-66193;HY-141617;CS-0182607;Q27140332;O-(1-O-Palmitoyl-L-glycero-3-phospho)-2-aminoethanol;1-Palmitoyl-2-Hydroxy-sn-Glycero-3-Phosphatidylethanolamine;(2R)-3-((2-aminoethoxy)(hydroxy)phosphoryloxy)-2-hydroxypropyl palmitate;(2R)-3-[(2-azaniumylethyl phosphonato)oxy]-2-hydroxypropyl hexadecanoate;2-aminoethyl (2R)-2-hydroxy-3-(hexadecanoyloxy)propyl hydrogen phosphate;2-aminoethyl (2R)-2-hydroxy-3-(palmitoyloxy)propyl hydrogen phosphate

Chemical Property of 1-Hexadecanoyl-sn-glycero-3-phosphoethanolamine

Chemical Property:

• PSA: 138.12000
• LogP: 5.16440
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 23
• Exact Mass: 453.28553974
• Heavy Atom Count: 30
• Complexity: 451

Purity/Quality:

98%Min ^*data from raw suppliers

1-Palmitoyl-2-hydroxy-sn-glycero-3-PE ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Lipids -> Unambiguous Lipids
• Canonical SMILES: CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)O
• Isomeric SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O
• Uses: 1-Palmitoyl-sn-glycerol-3-L-α-phosphorylethanolamine is used in the development of LC-QTOF-MS method for human lung tissue fingerprinting, preliminary application to nonsmall cell lung cancer.