Hierarchical shorthand notations for acyclic oxylipins at appropriate levels of annotation in lipidomic studies
Species level: Sum composition, DB-Position level: Defined position of double bond(s), 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 | DB-position level | Structure defined level | Full structure level | Complete structure level (= Common name) |
|---|---|---|---|---|
| FA 18:2;O | FA 18:2(9,11);O | FA 18:2;OH | FA 18:2(9Z,11E);13OH |
FA 18:2(9Z,11E);13OH[R], 13R-HODE |
| FA 20:4;O | FA 20:4(6,8,11,14);O | FA 20:4;OH | FA 20:4(6E,8Z,11Z,14Z);5OH | 5R-HETE, 5S-HETE |
| FA 20:4;O | FA 20:4(5,8,10,14);O | FA 20:4;OH | FA 20:4(5Z,8Z,10E,14Z);12OH | 12R-HETE, 12S-HETE |
| FA 20:4;O | FA 20:4(5,8,11,13);O | FA 20:4;OH | FA 20:4 (5Z,8Z,11Z,13E);15OH | 15R-HETE, 15S-HETE |
| FA 20:4;O2 | FA 20:4(6,8,10,14);O2 | FA 20:4;(OH)2 | FA 20:4(6Z,8E,10E,14Z);5OH,12OH |
LTB4 (5S,12R)
|
| FA 20:4;O3 | FA 20:4;(OH)2;oxo | FA 20:3(5Z,13E);11OH,15OH;9oxo | ||
| FA 20:5;O3 | FA 20:5(6,8,11,14,16);O3 | FA 20:5;(OH)3 | FA 20:5(6Z,8E,10E,14Z,16E);5OH,12OH,18OH | Resolvin E1 (5S,12R,18R) |
| FA 22:6;O3 | FA 22:6(4,8,10,12,14,19);O3 | FA 22:6;(OH)3 | FA 22:6(4Z,8E,10Z,12E,14E,19Z);7OH,16OH,17OH | Resolvin D2 (7S,16R,17S) |
| FA 22:6;O2 | FA 22:6(4,8,10,12,16,19);O2 | FA 22:6;(OH)2 | FA 22:6(4Z,8E,10E,12E,16Z,19Z);7OH,14OH | Maresin 1 (7R,14S) |
| FA 34:6;O2 | FA 34:6(16,19,23,25,27,31);O2 | FA 34:6;(OH)2 | FA 34:6(16Z,19Z,23E,25E,27Z,31Z);22OH,29OH | Elovanoid N34 |
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.