1-stearoyl-lysophosphatidylcholine   Click here for help

GtoPdb Ligand ID: 5651

Synonyms: LPC 18:0 | lysophosphatidylcholine (18:0) | stearoyl alpha-lysolecithin
Compound class: Metabolite
Comment: The saturated C18 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 26
Topological polar surface area 114.93
Molecular weight 523.36
XLogP 6.6
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
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Canonical SMILES CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(OCC[N+](C)(C)C)[O-])O
Isomeric SMILES CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(OCC[N+](C)(C)C)[O-])O
InChI InChI=1S/C26H54NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h25,28H,5-24H2,1-4H3/t25-/m1/s1
InChI Key IHNKQIMGVNPMTC-RUZDIDTESA-N
Classification Click here for help
Compound class Metabolite
IUPAC Name Click here for help
[(2R)-2-hydroxy-3-octadecanoyloxypropyl] 2-trimethylazaniumylethyl phosphate
Synonyms Click here for help
LPC 18:0 | lysophosphatidylcholine (18:0) | stearoyl alpha-lysolecithin
Database Links Click here for help
Specialist databases
GPCRdb Ligand 1-stearoyl-lysophosphatidylcholine
Other databases
CAS Registry No. 17364-19-1 (source: Scifinder)
ChEBI CHEBI:64561
ChEMBL Ligand CHEMBL3093101
GtoPdb PubChem SID 178102279
LIPID MAPS LMGP01050026
PubChem CID 497299
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