LPX

(2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate

Created:	2008-05-01
Last modified:	2011-06-04

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19 entries where LPX is found as a standalone ligand1 entries where LPX is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	74
Chiral Atom Count	2
Bond Count	73
Aromatic Bond Count	0

2D diagram of LPX

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Chemical Component Summary
Name	(2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate
Systematic Name (OpenEye OEToolkits)	[(2S)-3-(2-aminoethoxy-hydroxy-phosphoryl)oxy-2-hydroxy-propyl] hexadecanoate
Formula	C₂₁ H₄₄ N O₇ P
Molecular Weight	453.55
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(OCC(O)COP(=O)(OCCN)O)CCCCCCCCCCCCCCC
SMILES	CACTVS	3.341	CCCCCCCCCCCCCCCC(=O)OC[CH](O)CO[P](O)(=O)OCCN
SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)O
Canonical SMILES	CACTVS	3.341	CCCCCCCCCCCCCCCC(=O)OC[C@H](O)CO[P@@](O)(=O)OCCN
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@](=O)(O)OCCN)O
InChI	InChI	1.03	InChI=1S/C21H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(24)27-18-20(23)19-29-30(25,26)28-17-16-22/h20,23H,2-19,22H2,1H3,(H,25,26)/t20-/m0/s1
InChIKey	InChI	1.03	YVYMBNSKXOXSKW-FQEVSTJZSA-N

Related Resource References

Resource Name	Reference
PubChem	72199749, 25229539

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.