MC3

1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE

Created:	2005-10-18
Last modified:	2011-06-04

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50 entries where MC3 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	118
Chiral Atom Count	1
Bond Count	117
Aromatic Bond Count	0

2D diagram of MC3

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Chemical Component Summary
Name	1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE
Systematic Name (OpenEye OEToolkits)	[(2R)-2,3-di(tetradecanoyloxy)propyl] 2-trimethylazaniumylethyl phosphate
Formula	C₃₆ H₇₂ N O₈ P
Molecular Weight	677.933
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(OC(COP([O-])(=O)OCC[N+](C)(C)C)COC(=O)CCCCCCCCCCCCC)CCCCCCCCCCCCC
SMILES	CACTVS	3.341	CCCCCCCCCCCCCC(=O)OC[CH](CO[P]([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC
SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC
Canonical SMILES	CACTVS	3.341	CCCCCCCCCCCCCC(=O)OC[C@H](CO[P]([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC
InChI	InChI	1.03	InChI=1S/C36H72NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-35(38)42-32-34(33-44-46(40,41)43-31-30-37(3,4)5)45-36(39)29-27-25-23-21-19-17-15-13-11-9-7-2/h34H,6-33H2,1-5H3/t34-/m1/s1
InChIKey	InChI	1.03	CITHEXJVPOWHKC-UUWRZZSWSA-N

Related Resource References

Resource Name	Reference
PubChem	5459377
ChEMBL	CHEMBL451503
ChEBI	CHEBI:45240

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