8PE

(2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradecanoyloxy)propyl octadecanoate

Created:	2008-04-28
Last modified:	2021-03-01

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9 entries where 8PE is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	121
Chiral Atom Count	2
Bond Count	120
Aromatic Bond Count	0

2D diagram of 8PE

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Chemical Component Summary
Name	(2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradecanoyloxy)propyl octadecanoate
Synonyms	3-SN-PHOSPHATIDYLETHANOLAMINE
Systematic Name (OpenEye OEToolkits)	[(2R)-3-(2-aminoethoxy-hydroxy-phosphoryl)oxy-2-tetradecanoyloxy-propyl] octadecanoate
Formula	C₃₇ H₇₄ N O₈ P
Molecular Weight	691.959
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(OCC(OC(=O)CCCCCCCCCCCCC)COP(=O)(OCCN)O)CCCCCCCCCCCCCCCCC
SMILES	CACTVS	3.341	CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC
SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC
Canonical SMILES	CACTVS	3.341	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC
InChI	InChI	1.03	InChI=1S/C37H74NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-19-14-12-10-8-6-4-2/h35H,3-34,38H2,1-2H3,(H,41,42)/t35-/m1/s1
InChIKey	InChI	1.03	RFJQNULIDFTTLL-PGUFJCEWSA-N

Related Resource References

Resource Name	Reference
PubChem	5287504, 447790

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