Structure database (LMSD)Return to Databases Overview
|Main Class||Glycerophosphates [GP10]|
|Sub Class||Diacylglycerophosphates [GP1001]|
|Abbrev Chains||PA 14:0_15:1|
|InChIKey||DIBBCUHKWZFHFX-LBFWNMTJSA-N Show lipids differing only in stereochemistry/bond geometry|
InChI=1S/C32H61O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32(34)40-30(29-39-41(35,36)37)28-38-31(33)26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,30H,3-10,12,14-29H2,1-2H3,(H2,35,36,37)/b13-11-/t30-/m1/s1Click to highlight InChI
[C@](COP(=O)(O)O)([H])(OC(CCCCCCC/C=C\CCCCC)=O)COC(CCCCCCCCCCCCC)=OClick to highlight SMILES
|MS Spectra||View MoNA MS spectra Predict MS/MS spectrum (Neg. mode)|
|Status||Active (generated by computational methods)|
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.