Hierarchical shorthand notations for cyclic oxylipins at appropriate levels of annotation in lipidomic studies
Species level: Sum composition, Structure defined level: Molecular species with constituents and functional groups, Full structure level: Molecular species with constituents and functional groups including positions, Complete structure level: Molecular species with constituents and functional groups including positions and stereochemistry (acc. to LMSD).
| Species level1 | Structure defined level | Full structure level | Common name (= Complete structure level) |
|---|---|---|---|
| FA 18:2;O3 | FA 18:2;(OH)3 | FA 18:1(10E);[12-16cy5:0;13OH;15OH];9OH | 9-F1t-PhytoP |
| FA 20:4;O3 | FA 20:3;(OH)2;oxo | FA 20:2(5Z,13E);[8-12cy5:0;11OH;9oxo];15OH |
PGE2
|
| FA 20:4;O3 | FA 20:3;(OH)2;oxo | FA 20:2(5Z,13E);[8-12cy5:0;9OH;11oxo];15OH | PGD2 |
| FA 20:3;O3 | FA 20:3;(OH)3 | FA 20:2(5Z,13E);[8-12cy5:0;9OH,11OH];15OH | PGF2α |
| FA 20:3;O3 | FA 20:2;(OH)2;oxo | FA 20:1(13E);[8-12cy5:0;11OH;9oxo];15OH | 8-iso-PGE1 |
| FA 20:3;O4 | FA 20:2;(OH)3;oxo | FA 20:1(13E);[8-12cy5:0;9OH,11OH];15OH;6oxo | 6-oxo-PGF1α |
| FA 20:3;O4 | FA 20:3;(OH)3;oxy | FA 20:2(5Z,13E);[8-13cy6:0;9OH,11OH);11oxy];15OH |
TXB2
|
| FA 22:5;O3 | FA 22:5;(OH)3 | FA 22:4(4Z,7Z,10Z,18E);[13-17cy5:0;14OH,16OH];20OH | 20-F4-NeuroP |
1 Annotation based on the assumption of a straight-chain fatty acyl plus functional groups based on exact mass measurements using a high-resolution mass spectrometer of fatty acyl indicating ion.