lysophosphatidylethanolamine   Click here for help

GtoPdb Ligand ID: 5652

Synonyms: monoacylglycerophosphoethanolamine
Comment: This ligand represents a class of compounds where the CH3 linked to the acyl group represents a carbon chain that may be of any length.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 140.95
Molecular weight 256.06
XLogP -2.63
No. Lipinski's rules broken 0
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Canonical SMILES [O-]P(=O)(OCCN)OCC(COC(=O)C)O
Isomeric SMILES [O-]P(=O)(OCCN)OC[C@@H](COC(=O)C)O
InChI InChI=1S/C7H16NO7P/c1-6(9)13-4-7(10)5-15-16(11,12)14-3-2-8/h7,10H,2-5,8H2,1H3,(H,11,12)/p-1/t7-/m1/s1
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Molecular structure representations generated using Open Babel