Structure database (LMSD)Return to Databases Overview
|Main Class||Glycerophosphocholines [GP01]|
|Sub Class||Monoacylglycerophosphocholines [GP0105]|
|Abbrev Chains||LPC 13:0|
|InChIKey||WNRCJJWBAXNAPE-HXUWFJFHSA-N Show lipids differing only in stereochemistry/bond geometry|
InChI=1S/C21H44NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-21(24)27-18-20(23)19-29-30(25,26)28-17-16-22(2,3)4/h20,23H,5-19H2,1-4H3/t20-/m1/s1Click to highlight InChI
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(O)COC(CCCCCCCCCCCC)=OClick to highlight SMILES
|MS Spectra||View MoNA MS spectra Predict MS/MS spectrum (Neg. mode)|
|MS Standard||View lipid standard|
LIPID MAPS® abbreviations for glycerophospholipids (GP)
The LIPID MAPS® glycerophospholipid abbreviations (PC, PE, etc.) are used here to refer to species with one or two radyl side-chains where the structures of the side chains are indicated within parentheses in the 'Headgroup(sn1/sn2)' format (e.g. PC(16:0/18:1(9Z)). By default, R stereochemistry at the C-2 carbon of glycerol and attachment of the headgroup at the sn3 position is assumed. Also, acyl chains are assumed by default. The 'O-' prefix is used to indicate the presence of an alkyl ether substituent e.g. PC(O-16:0/18:1(9Z)), whereas the 'P-' prefix is used for the 1Z-alkenyl ether (Plasmalogen) substituent e.g. PC(P-16:0/18:1(9Z)).
For molecules with opposite (S) stereochemistry at C2 of the glycerol group and attachment of the headgroup at the sn1 position, the stereochemistry specification of [S] is appended to the abbreviation. The 'Headgroup(sn3/sn2)' abbreviation format is used.
For molecules with unknown stereochemistry at the C-2 carbon of the glycerol group, the stereochemistry specification of [U] is appended to the abbreviation and the structure is drawn with C-2 stereochemistry unspecified.