1-palmitoyl-lysophosphatidylcholine   Click here for help

GtoPdb Ligand ID: 5650

Synonyms: LPC 16:0 | lysophosphatidylcholine(16:0)
Compound class: Metabolite
Comment: The saturated C16 chain acyl group can be attached to either of the oxygen atoms in the glycero moiety.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 24
Topological polar surface area 114.93
Molecular weight 495.33
XLogP 5.46
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
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Canonical SMILES CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(OCC[N+](C)(C)C)[O-])O
Isomeric SMILES CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(OCC[N+](C)(C)C)[O-])O
InChI InChI=1S/C24H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(27)30-21-23(26)22-32-33(28,29)31-20-19-25(2,3)4/h23,26H,5-22H2,1-4H3/t23-/m0/s1
InChI Key ASWBNKHCZGQVJV-QHCPKHFHSA-N