43Y

[(2R)-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-2-propanoyloxy-propyl] propanoate

Created:	2015-02-03
Last modified:	2020-06-05

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4 entries where 43Y is found as a standalone ligand

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Chemical Details
Formal Charge	1
Atom Count	53
Chiral Atom Count	1
Bond Count	52
Aromatic Bond Count	0

2D diagram of 43Y

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Chemical Component Summary
Name	[(2R)-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-2-propanoyloxy-propyl] propanoate
Synonyms	1,2-dipropionyl-sn-glycero-3-phosphocholine
Systematic Name (OpenEye OEToolkits)	2-[[(2R)-2,3-di(propanoyloxy)propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium
Formula	C₁₄ H₂₉ N O₈ P
Molecular Weight	370.356
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(OCC(OC(=O)CC)COP(=O)(OCC[N+](C)(C)C)O)CC
SMILES	CACTVS	3.385	CCC(=O)OC[CH](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)CC
SMILES	OpenEye OEToolkits	1.7.6	CCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CC
Canonical SMILES	CACTVS	3.385	CCC(=O)OC[C@H](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)CC
Canonical SMILES	OpenEye OEToolkits	1.7.6	CCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CC
InChI	InChI	1.03	InChI=1S/C14H28NO8P/c1-6-13(16)20-10-12(23-14(17)7-2)11-22-24(18,19)21-9-8-15(3,4)5/h12H,6-11H2,1-5H3/p+1/t12-/m1/s1
InChIKey	InChI	1.03	LMBVWVMURYPSQM-GFCCVEGCSA-O

Related Resource References

Resource Name	Reference
PubChem	5313786

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