PX6

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

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

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10 entries where PX6 is found as a standalone ligand

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Chemical Details
Formal Charge	-1
Atom Count	112
Chiral Atom Count	1
Bond Count	111
Aromatic Bond Count	0

2D diagram of PX6

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Chemical Component Summary
Name	1,2-DIPALMITOYL-SN-GLYCERO-3-PHOSPHATE
Systematic Name (OpenEye OEToolkits)	[(2R)-2,3-di(hexadecanoyloxy)propyl] hydrogen phosphate
Formula	C₃₅ H₆₈ O₈ P
Molecular Weight	647.883
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P([O-])(O)OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC
SMILES	CACTVS	3.341	CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)([O-])=O)OC(=O)CCCCCCCCCCCCCCC
SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)[O-])OC(=O)CCCCCCCCCCCCCCC
Canonical SMILES	CACTVS	3.341	CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P](O)([O-])=O)OC(=O)CCCCCCCCCCCCCCC
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)[O-])OC(=O)CCCCCCCCCCCCCCC
InChI	InChI	1.03	InChI=1S/C35H69O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(36)41-31-33(32-42-44(38,39)40)43-35(37)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33H,3-32H2,1-2H3,(H2,38,39,40)/p-1/t33-/m1/s1
InChIKey	InChI	1.03	PORPENFLTBBHSG-MGBGTMOVSA-M

Related Resource References

Resource Name	Reference
PubChem	49867543

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