PX8

1,2-DISTEAROYL-SN-GLYCERO-3-PHOSPHATE

Created:	2004-08-02
Last modified:	2011-06-04

Find Related PDB Entry
2 entries where PX8 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	-1
Atom Count	124
Chiral Atom Count	1
Bond Count	123
Aromatic Bond Count	0

2D diagram of PX8

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	1,2-DISTEAROYL-SN-GLYCERO-3-PHOSPHATE
Systematic Name (OpenEye OEToolkits)	[(2R)-2,3-di(octadecanoyloxy)propyl] hydrogen phosphate
Formula	C₃₉ H₇₆ O₈ P
Molecular Weight	703.99
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P([O-])(O)OCC(OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC
SMILES	CACTVS	3.341	CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)([O-])=O)OC(=O)CCCCCCCCCCCCCCCCC
SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)[O-])OC(=O)CCCCCCCCCCCCCCCCC
Canonical SMILES	CACTVS	3.341	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P](O)([O-])=O)OC(=O)CCCCCCCCCCCCCCCCC
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)[O-])OC(=O)CCCCCCCCCCCCCCCCC
InChI	InChI	1.03	InChI=1S/C39H77O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36H2,1-2H3,(H2,42,43,44)/p-1/t37-/m1/s1
InChIKey	InChI	1.03	YFWHNAWEOZTIPI-DIPNUNPCSA-M

Related Resource References

Resource Name	Reference
PubChem	49867544

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.