LPC

[1-MYRISTOYL-GLYCEROL-3-YL]PHOSPHONYLCHOLINE

Created:	1999-07-08
Last modified:	2011-06-04

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7 entries where LPC is found as a standalone ligand

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Chemical Details
Formal Charge	1
Atom Count	78
Chiral Atom Count	2
Bond Count	77
Aromatic Bond Count	0

2D diagram of LPC

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Chemical Component Summary
Name	[1-MYRISTOYL-GLYCEROL-3-YL]PHOSPHONYLCHOLINE
Systematic Name (OpenEye OEToolkits)	2-[hydroxy-[(2R)-2-hydroxy-3-tetradecanoyloxy-propoxy]phosphoryl]oxyethyl-trimethyl-azanium
Formula	C₂₂ H₄₇ N O₇ P
Molecular Weight	468.585
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(OCC(O)COP(=O)(OCC[N+](C)(C)C)O)CCCCCCCCCCCCC
SMILES	CACTVS	3.341	CCCCCCCCCCCCCC(=O)OC[CH](O)CO[P](O)(=O)OCC[N+](C)(C)C
SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)O
Canonical SMILES	CACTVS	3.341	CCCCCCCCCCCCCC(=O)OC[C@@H](O)CO[P@@](O)(=O)OCC[N+](C)(C)C
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)O
InChI	InChI	1.03	InChI=1S/C22H46NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-22(25)28-19-21(24)20-30-31(26,27)29-18-17-23(2,3)4/h21,24H,5-20H2,1-4H3/p+1/t21-/m1/s1
InChIKey	InChI	1.03	VXUOFDJKYGDUJI-OAQYLSRUSA-O

Related Resource References

Resource Name	Reference
PubChem	444675

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