PEX

1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE

Created:	2004-08-02
Last modified:	2024-09-27

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

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Chemical Details
Formal Charge	-1
Atom Count	84
Chiral Atom Count	1
Bond Count	83
Aromatic Bond Count	0

2D diagram of PEX

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Chemical Component Summary
Name	1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE
Systematic Name (OpenEye OEToolkits)	2-aminoethyl [(2R)-2,3-di(decanoyloxy)propyl] phosphate
Formula	C₂₅ H₄₉ N O₈ P
Molecular Weight	522.632
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(OCC(OC(=O)CCCCCCCCC)COP([O-])(=O)OCCN)CCCCCCCCC
SMILES	CACTVS	3.341	CCCCCCCCCC(=O)OC[CH](CO[P]([O-])(=O)OCCN)OC(=O)CCCCCCCCC
SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCCCC(=O)OCC(COP(=O)([O-])OCCN)OC(=O)CCCCCCCCC
Canonical SMILES	CACTVS	3.341	CCCCCCCCCC(=O)OC[C@H](CO[P]([O-])(=O)OCCN)OC(=O)CCCCCCCCC
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OCCN)OC(=O)CCCCCCCCC
InChI	InChI	1.03	InChI=1S/C25H50NO8P/c1-3-5-7-9-11-13-15-17-24(27)31-21-23(22-33-35(29,30)32-20-19-26)34-25(28)18-16-14-12-10-8-6-4-2/h23H,3-22,26H2,1-2H3,(H,29,30)/p-1/t23-/m1/s1
InChIKey	InChI	1.03	KKOSJVWUOHEQKA-HSZRJFAPSA-M

Related Resource References

Resource Name	Reference
PubChem	49867485

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