PTY

PHOSPHATIDYLETHANOLAMINE

Created:	2002-04-01
Last modified:	2024-09-27

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224 entries where PTY is found as a standalone ligand4 entries where PTY is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	130
Chiral Atom Count	2
Bond Count	129
Aromatic Bond Count	0

2D diagram of PTY

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Chemical Component Summary
Name	PHOSPHATIDYLETHANOLAMINE
Systematic Name (OpenEye OEToolkits)	[(2R)-1-(2-aminoethoxy-hydroxy-phosphoryl)oxy-3-pentadecanoyloxy-propan-2-yl] icosanoate
Formula	C₄₀ H₈₀ N O₈ P
Molecular Weight	734.039
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCCCC)COP(=O)(OCCN)O)CCCCCCCCCCCCCC
SMILES	CACTVS	3.341	CCCCCCCCCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCCCCCCCC)CO[P](O)(=O)OCCN
SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COP(=O)(O)OCCN
Canonical SMILES	CACTVS	3.341	CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)CO[P@](O)(=O)OCCN
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)CO[P@@](=O)(O)OCCN
InChI	InChI	1.03	InChI=1S/C40H80NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41)36-46-39(42)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h38H,3-37,41H2,1-2H3,(H,44,45)/t38-/m1/s1
InChIKey	InChI	1.03	NJGIRBISCGPRPF-KXQOOQHDSA-N

Related Resource References

Resource Name	Reference
PubChem	446872
ChEBI	CHEBI:131145

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