oleoyl-lysophosphatidylcholine   Click here for help

GtoPdb Ligand ID: 3623

Synonyms: LPC 18:1 | lysolecithin | lysophosphatidylcholine(18:1) | OLPC
Compound class: Synthetic organic
Comment: The 18C chain acyl group may be joined to either of the oxygen atoms in the glycero group
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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 25
Topological polar surface area 114.93
Molecular weight 521.35
XLogP 6.08
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
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Canonical SMILES CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(OCC[N+](C)(C)C)[O-])O
Isomeric SMILES CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(OCC[N+](C)(C)C)[O-])O
InChI InChI=1S/C26H52NO7P/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/h12-13,25,28H,5-11,14-24H2,1-4H3/b13-12-/t25-/m1/s1
InChI Key YAMUFBLWGFFICM-PTGWMXDISA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
[(2R)-2-hydroxy-3-[(Z)-octadec-9-enoyl]oxypropyl] 2-trimethylazaniumylethyl phosphate
Synonyms Click here for help
LPC 18:1 | lysolecithin | lysophosphatidylcholine(18:1) | OLPC
Database Links Click here for help
ChEBI CHEBI:64566
ChEMBL Ligand CHEMBL3093102
GtoPdb PubChem SID 178100540
PubChem CID 16081932
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