L4P

3-[GLYCEROLYLPHOSPHONYL]-[1,2-DI-PHYTANYL]GLYCEROL

Created:	1999-09-22
Last modified:	2020-06-05

Find Related PDB Entry
4 entries where L4P is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	150
Chiral Atom Count	9
Bond Count	149
Aromatic Bond Count	0

2D diagram of L4P

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	3-[GLYCEROLYLPHOSPHONYL]-[1,2-DI-PHYTANYL]GLYCEROL
Synonyms	2,3-DI-O-PHYTANLY-3-SN-GLYCERO-1-PHOSPHORYL-3'-SN-GLYCEROL
Systematic Name (OpenEye OEToolkits)	[(2S)-2,3-bis[(3R,7R,11R)-3,7,11,15-tetramethylhexadecoxy]propyl] [(2R)-2,3-dihydroxypropyl] hydrogen phosphate
Formula	C₄₆ H₉₅ O₈ P
Molecular Weight	807.215
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P(O)(OCC(O)CO)OCC(OCCC(CCCC(C)CCCC(C)CCCC(C)C)C)COCCC(C)CCCC(C)CCCC(C)CCCC(C)C
SMILES	CACTVS	3.341	CC(C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CCOC[CH](CO[P](O)(=O)OC[CH](O)CO)OCC[CH](C)CCCC(C)CCCC(C)CCCC(C)C
SMILES	OpenEye OEToolkits	1.5.0	CC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(COP(=O)(O)OCC(CO)O)OCCC(C)CCCC(C)CCCC(C)CCCC(C)C
Canonical SMILES	CACTVS	3.341	CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](CO[P@@](O)(=O)OC[C@H](O)CO)OCC[C@H](C)CCCC(C)CCCC(C)CCCC(C)C
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](CO[P@](=O)(O)OC[C@@H](CO)O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
InChI	InChI	1.03	InChI=1S/C46H95O8P/c1-37(2)17-11-19-39(5)21-13-23-41(7)25-15-27-43(9)29-31-51-35-46(36-54-55(49,50)53-34-45(48)33-47)52-32-30-44(10)28-16-26-42(8)24-14-22-40(6)20-12-18-38(3)4/h37-48H,11-36H2,1-10H3,(H,49,50)/t39-,40?,41-,42?,43-,44-,45-,46+/m1/s1
InChIKey	InChI	1.03	AFYVWQWWQKSZEV-WGOBCRBGSA-N

Related Resource References

Resource Name	Reference
PubChem	14350928

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.