Table 1. Potential biomarkers and their metabolic pathways.
| No. | m/z | Identify Result | Element composing | Ion | HMDB ID | KEGG ID | Class | Fold Change | p-value | Trend a |
|---|---|---|---|---|---|---|---|---|---|---|
| 1 | 497.293 | Leukotriene D4 | C25H40N2O6S | M+H | HMDB03080 | C05951 | Fatty Acyls | 8.4 | 2.34E-46 | ↑ |
| 2 | 442.258 | Leukotriene E3 | C23H39NO5S | M+H | HMDB02355 | - | Fatty Acyls | 6.9 | 5.55E-57 | ↑ |
| 3 | 627.442 | Eicosapentaenoic acid | C20H30O2 | 2M+Na | HMDB01999 | C06428 | Fatty Acyls | 3.7 | 4.95E-43 | ↑ |
| 4 | 394.270 | Dihomo-gamma-Linolenoylethanolamide | C22H39NO2 | M+2Na-H | HMDB13625 | C13828 | Fatty Acyls | 20.9 | 1.94E-80 | ↑ |
| 5 | 274.274 | Palmitic acid | C16H32O2 | M+NH4 | HMDB00220 | C00249 | Fatty Acyls | 0.5 | 4.48E-39 | ↓ |
| 6 | 396.273 | Prostaglandin E2 ethanolamide | C22H37NO5 | M+H | HMDB13038 | - | Fatty Acyls | 21.9 | 6.82E-81 | ↑ |
| 7 | 806.565 | Lactosylceramide (d18:1/12:0) | C42H79NO13 | M+H | HMDB04866 | C01290 | Sphingolipids | 0.5 | 9.96E-40 | ↓ |
| 8 | 302.305 | Sphinganine | C18H39NO2 | M+H | HMDB00269 | C00836 | Sphingolipids | 0.4 | 6.84E-56 | ↓ |
| 9 | 542.322 | LysoPC (20:5) | C28H48NO7P | M+H | HMDB10397 | C04230 | Glycerophospholipids | 0.4 | 2.15E-47 | ↓ |
| 10 | 496.340 | LysoPC (16:0) | C24H50NO7P | M+H | HMDB10382 | C04230 | Glycerophospholipids | 0.6 | 1.28E-28 | ↓ |
| 11 | 524.373 | LysoPC (18:0) | C26H54NO7P | M+H | HMDB10384 | C04230 | Glycerophospholipids | 0.9 | 6.83E-06 | ↓ |
| 12 | 522.358 | LysoPC (18:1) | C26H52NO7P | M+H | HMDB02815 | C04230 | Glycerophospholipids | 0.7 | 8.31E-18 | ↓ |
| 13 | 520.340 | LysoPC (18:2) | C26H50NO7P | M+H | HMDB10386 | C04230 | Glycerophospholipids | 0.5 | 4.50E-36 | ↓ |
| 14 | 518.323 | LysoPC (18:3) | C26H48NO7P | M+H | HMDB10387 | C04230 | Glycerophospholipids | 0.5 | 1.75E-44 | ↓ |
| 15 | 546.352 | LysoPC (20:3) | C28H52NO7P | M+H | HMDB10393 | C04230 | Glycerophospholipids | 0.7 | 6.51E-28 | ↓ |
| 16 | 544.339 | LysoPC (20:4) | C28H50NO7P | M+H | HMDB10395 | C04230 | Glycerophospholipids | 0.5 | 3.41E-27 | ↓ |
| 17 | 502.293 | LysoPE (0:0/20:4) | C25H44NO7P | M+H | HMDB11487 | - | Glycerophospholipids | 0.4 | 1.03E-37 | ↓ |
| 18 | 828.556 | PC (18:3/22:6) | C48H78NO8P | M+H | HMDB08189 | C00157 | Glycerophospholipids | 0.6 | 1.06E-10 | ↓ |
| 19 | 780.552 | PC (14:0/22:5) | C44H78NO8P | M+H | HMDB07890 | C00157 | Glycerophospholipids | 0.7 | 6.94E-15 | ↓ |
| 20 | 784.584 | PC (14:1/22:2) | C44H82NO8P | M+H | HMDB07921 | C00157 | Glycerophospholipids | 0.6 | 8.17E-32 | ↓ |
| 21 | 804.552 | PC (16:1/22:6) | C46H78NO8P | M+H | HMDB08023 | C00157 | Glycerophospholipids | 0.5 | 1.15E-32 | ↓ |
| 22 | 830.567 | PC (18:2/22:6) | C48H80NO8P | M+H | HMDB08156 | C00157 | Glycerophospholipids | 0.6 | 4.24E-25 | ↓ |
| 23 | 782.566 | PC (22:4/14:0) | C44H80NO8P | M+H | HMDB08623 | C00157 | Glycerophospholipids | 0.6 | 1.50E-20 | ↓ |
| 24 | 766.575 | PC (16:1/20:4) | C44H80NO7P | M+H | HMDB13415 | - | Glycerophospholipids | 0.5 | 3.77E-35 | ↓ |
| 25 | 819.506 | PG (18:3/22:5) | C46H75O10P | M+H | HMDB10673 | - | Glycerophospholipids | 40.2 | 1.02E-81 | ↑ |
| 26 | 807.496 | PI (16:0/16:2) | C41H75O13P | M+H | HMDB09780 | C00626 | Glycerophospholipids | 23.3 | 5.62E-84 | ↑ |
| 27 | 838.542 | PE (22:5/22:6) | C49H76NO8P | M+H | HMDB09639 | C00350 | Glycerophospholipids | 38.5 | 5.87E-80 | ↑ |
| 28 | 746.525 | CL (18:2/18:1/20:4/18:1) | C84H148O17P2 | M+2H | HMDB58795 | - | Glycerophospholipids | 16.7 | 6.58E-67 | ↑ |
| 29 | 769.605 | TG (14:1/14:1/18:3) | C49H84O6 | M+H | HMDB47894 | - | Triacylglycerols | 15.5 | 4.00E-69 | ↑ |
| 30 | 971.594 | TG (20:4/18:4/18:4) | C59H90O6 | M+2K+H | HMDB54281 | - | Triacylglycerols | 41.9 | 5.62E-89 | ↑ |
| 31 | 371.317 | DG (24:0/0:0/18:2) | C46H86O5 | M+H+Na | HMDB56120 | - | Glycerolipids | 0.4 | 3.87E-39 | ↓ |
| 32 | 369.352 | DG (20:0/24:0/0:0) | C47H92O5 | M+2H | HMDB07383 | - | Glycerolipids | 0.5 | 5.87E-42 | ↓ |
| 33 | 305.184 | 19-Hydroxytestosterone | C19H28O3 | M+H | HMDB06769 | C05294 | Steroids and steroid derivatives | 12.3 | 1.61E-63 | ↑ |
| 34 | 475.310 | 5b-Cholestane-3a,7a,12a,25-tetrol | C27H48O4 | M+K | HMDB00524 | - | Steroids and steroid derivatives | 27.3 | 5.70E-92 | ↑ |
| 35 | 543.293 | Cortolone-3-glucuronide | C27H42O11 | M+H | HMDB10320 | - | Steroids and steroid derivatives | 18.1 | 1.91E-76 | ↑ |
| 36 | 586.381 | Estradiol | C18H24O2 | 2M+ACN+H | HMDB00151 | C00951 | Steroids and steroid derivatives | 36.9 | 3.86E-73 | ↑ |
| 37 | 666.137 | NADH | C21H29N7O14P2 | M+H | HMDB01487 | C00004 | (5’->5’)-dinucleotides | 5.4 | 3.46E-43 | ↑ |
| 38 | 393.298 | Chenodeoxycholic acid | C24H40O4 | M+H | HMDB00518 | C02528 | Bile acids, alcohols and derivatives | 0.5 | 1.39E-33 | ↓ |
| 39 | 627.109 | Pyrogallol-2-O-glucuronide | C12H14O9 | 2M+Na | HMDB60017 | - | Carbohydrates and carbohydrate conjugates | 4.5 | 1.34E-41 | ↑ |
| 40 | 685.842 | Foetidissimoside B | C63H100O31 | M+H+NH4 | HMDB36252 | - | Prenol Lipids | 2.8 | 7.43E-21 | ↑ |
| 41 | 315.080 | Geranyl-PP | C10H20O7P2 | M+H | HMDB01285 | C00341 | Prenol Lipids | 0.0 | 2.38E-32 | ↓ |
| 42 | 283.201 | Vitamin A2 aldehyde | C20H26O | M+H | HMDB35695 | C05918 | Prenol lipids | 19.9 | 4.61E-78 | ↑ |
| 43 | 409.161 | Melatonin glucuronide | C19H24N2O8 | M+H | HMDB60830 | - | Nucleoside and nucleotide analogues | 0.6 | 2.62E-24 | ↓ |
| 44 | 525.304 | VPGPR Enterostatin | C23H40N8O6 | M+H | HMDB03577 | - | Carboxylic acids and derivatives | 12.4 | 4.26E-69 | ↑ |
44 significant difference metabolites were screened out to be the potential biomarkers according to the value of variable importance for projection (VIP) value in PLS-DA model, the fold changes and P-value between the PV and HC samples were calculated. These potential biomarkers were involved in glycerophospholipid metabolism, sphingolipid metabolism, arachidonic acid metabolism, bile acid biosynthesis.
a Trend change compared with healthy controls (HC). (↑) and (↓) represent the corresponding compound is up- regulated and down-regulated in PV patients compared with the HC, respectively.
LysoPC: Lysophosphatidylcholine
LysoPE: Lysophosphatidyl ethanolamine
PC: Phosphatidylcholine
PG: Phosphatidylglycerol
PI: Phosphatidylinositol
PE: Phosphatidylethanolamine
CL: Cardiolipin
TG: Tracylglycerol
DG: Diacylglycerol
NADH: Nicotinamide adenine dinucleotide
VPGPR: Val-Pro-Gly-Pro-Arg