Structure database (LMSD)Return to Databases Overview
|Main Class||Glycerophosphocholines [GP01]|
|Sub Class||Monoacylglycerophosphocholines [GP0105]|
|Abbrev Chains||LPC 9:0|
|InChIKey||VKTRCGYRHHVHRW-MRXNPFEDSA-N Show lipids differing only in stereochemistry/bond geometry|
InChI=1S/C17H36NO7P/c1-5-6-7-8-9-10-11-17(20)23-14-16(19)15-25-26(21,22)24-13-12-18(2,3)4/h16,19H,5-15H2,1-4H3/t16-/m1/s1Click to highlight InChI
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(O)COC(CCCCCCCC)=OClick to highlight SMILES
|MS Spectra||View MoNA MS spectra Predict MS/MS spectrum (Neg. mode)|
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.