L9Q

(1S)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(octadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate

Created:	2010-03-19
Last modified:	2020-06-05

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8 entries where L9Q is found as a standalone ligand1 entries where L9Q is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	131
Chiral Atom Count	1
Bond Count	130
Aromatic Bond Count	0

2D diagram of L9Q

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Chemical Component Summary
Name	(1S)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(octadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate
Synonyms	1-stearoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine
Systematic Name (OpenEye OEToolkits)	[(2S)-3-[2-azanylethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxy-propyl] octadecanoate
Formula	C₄₁ H₈₀ N O₈ P
Molecular Weight	746.05
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(OCC(OC(=O)CCCCCCC\C=C/CCCCCCCC)COP(=O)(OCCN)O)CCCCCCCCCCCCCCCCC
SMILES	CACTVS	3.370	CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCCC=CCCCCCCCC
SMILES	OpenEye OEToolkits	1.7.0	CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCCCCCCCC
Canonical SMILES	CACTVS	3.370	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P](O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC
Canonical SMILES	OpenEye OEToolkits	1.7.0	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCCCC
InChI	InChI	1.03	InChI=1S/C41H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,39H,3-17,19,21-38,42H2,1-2H3,(H,45,46)/b20-18-/t39-/m0/s1
InChIKey	InChI	1.03	JQKOHRZNEOQNJE-VYCVAHKRSA-N

Related Resource References

Resource Name	Reference
PubChem	23727970

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