PSE

O-PHOSPHOETHANOLAMINE

Created:	1999-07-08
Last modified:	2024-09-27

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2 entries where PSE is found as a standalone ligand2 entries where PSE is covalently linked to polymer or other heterogen groups 1 entries where PSE is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	20
Chiral Atom Count	1
Bond Count	19
Aromatic Bond Count	0

2D diagram of PSE

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Chemical Component Summary
Name	O-PHOSPHOETHANOLAMINE
Systematic Name (OpenEye OEToolkits)	[(2R)-2-amino-3-hydroxy-propyl] dihydrogen phosphate
Formula	C₃ H₁₀ N O₅ P
Molecular Weight	171.089
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P(O)(O)OCC(N)CO
SMILES	CACTVS	3.341	N[CH](CO)CO[P](O)(O)=O
SMILES	OpenEye OEToolkits	1.5.0	C(C(COP(=O)(O)O)N)O
Canonical SMILES	CACTVS	3.341	N[C@H](CO)CO[P](O)(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C([C@H](COP(=O)(O)O)N)O
InChI	InChI	1.03	InChI=1S/C3H10NO5P/c4-3(1-5)2-9-10(6,7)8/h3,5H,1-2,4H2,(H2,6,7,8)/t3-/m1/s1
InChIKey	InChI	1.03	WDWYJNPKBKWDBL-GSVOUGTGSA-N

Related Resource References

Resource Name	Reference
PubChem	444118

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