M7U

(2R)-2-(hexadecanoyloxy)-3-{[(10R)-10-methyloctadecanoyl]oxy}propyl phosphate

Created:	2013-09-19
Last modified:	2013-10-09

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7 entries where M7U is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	122
Chiral Atom Count	2
Bond Count	121
Aromatic Bond Count	0

2D diagram of M7U

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Chemical Component Summary
Name	(2R)-2-(hexadecanoyloxy)-3-{[(10R)-10-methyloctadecanoyl]oxy}propyl phosphate
Systematic Name (OpenEye OEToolkits)	[(2R)-2-hexadecanoyloxy-3-phosphonooxy-propyl] (10R)-10-methyloctadecanoate
Formula	C₃₈ H₇₅ O₈ P
Molecular Weight	690.971
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	[O-]P(=O)([O-])OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC(C)CCCCCCCC
SMILES	CACTVS	3.385	CCCCCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCC[CH](C)CCCCCCCC)CO[P](O)(O)=O
SMILES	OpenEye OEToolkits	1.7.6	CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC(C)CCCCCCCC)COP(=O)(O)O
Canonical SMILES	CACTVS	3.385	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCC[C@H](C)CCCCCCCC)CO[P](O)(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCC[C@H](C)CCCCCCCC)COP(=O)(O)O
InChI	InChI	1.03	InChI=1S/C38H75O8P/c1-4-6-8-10-12-13-14-15-16-17-18-24-28-32-38(40)46-36(34-45-47(41,42)43)33-44-37(39)31-27-23-20-19-22-26-30-35(3)29-25-21-11-9-7-5-2/h35-36H,4-34H2,1-3H3,(H2,41,42,43)/p-2/t35-,36-/m1/s1
InChIKey	InChI	1.03	DHZGLVWUKHQXOO-LQFQNGICSA-L

Related Resource References

Resource Name	Reference
PubChem	71737821

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