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. 2020 Jun 23;25:e921844-1–e921844-10. doi: 10.12659/AOT.921844

Table 2.

Potential metabolite makers of negative ions from Pre vs. NC.

Metabolite name m/z Change VIP Fold change q-value Related pathway
Threonic acid 135.0296 2.920519 6.722945 0.002249 Ascorbate and aldarate metabolism
Threonic acid 135.0299 3.101811 8.680666 0.002504 Ascorbate and aldarate metabolism
Phosphoribosyl formamidocarboxamide 365.0538 1.429341 1.667861 0.015919 Purine metabolism; Metabolic pathways; Biosynthesis of secondary metabolites
8(R)-Hydroperoxylinoleic acid 311.2199 1.985069 3.354787 0.049389 Linoleic acid metabolism
13-L-Hydroperoxylinoleic acid 311.2199 1.985069 3.354787 0.049389 Linoleic acid metabolism; Metabolic pathways
9(S)-HPODE 311.2199 1.985069 3.354787 0.049389 Linoleic acid metabolism; Metabolic pathways
Taurocholic acid 514.2828 3.725514 121.6349 0.025012 Primary bile acid biosynthesis; Secondary bile acid biosynthesis; Taurine and hypotaurine metabolism; Metabolic pathways; Bile secretion
8-HETE 319.2261 3.539139 0.104499 0.007557 Arachidonic acid metabolism; Metabolic pathways; PPAR signaling pathway
8,9-Epoxyeicosatrienoic acid 319.2261 3.539139 0.104499 0.007557 Arachidonic acid metabolism; Metabolic pathways; Vascular smooth muscle contraction
19(S)-HETE 319.2261 3.539139 0.104499 0.007557 Arachidonic acid metabolism; Metabolic pathways
11(R)-HETE 319.2261 3.539139 0.104499 0.007557 Arachidonic acid metabolism
15(S)-HETE 319.2261 3.539139 0.104499 0.007557 Arachidonic acid metabolism
20-Hydroxyeicosatetraenoic acid 319.2261 3.539139 0.104499 0.007557 Arachidonic acid metabolism; Metabolic pathways; Vascular smooth muscle contraction
5,6-Epoxy-8,11,14-eicosatrienoic acid 319.2261 3.539139 0.104499 0.007557 Arachidonic acid metabolism; Metabolic pathways; Vascular smooth muscle contraction
16(R)-HETE 319.2261 3.539139 0.104499 0.007557 Arachidonic acid metabolism
14,15-Epoxy-5,8,11-eicosatrienoic acid 319.2261 3.539139 0.104499 0.007557 Arachidonic acid metabolism; Metabolic pathways; Vascular smooth muscle contraction
11,12-Epoxyeicosatrienoic acid 319.2261 3.539139 0.104499 0.007557 Arachidonic acid metabolism; Metabolic pathways; Vascular smooth muscle contraction
5-HETE 319.2261 3.539139 0.104499 0.007557 Arachidonic acid metabolism
Docosapentaenoic acid 329.2469 1.976434 0.413162 0.008974 Biosynthesis of unsaturated fatty acids
Arachidonic acid 303.2320 2.263972 0.331697 0.000831 Arachidonic acid metabolism; Linoleic acid metabolism; Biosynthesis of unsaturated fatty acids; Metabolic pathways; Vascular smooth muscle contraction; Fc epsilon RI signaling pathway; Fc gamma R-mediated phagocytosis; Long-term depression; Phototransduction – fly; GnRH signaling pathway; Leishmaniasis; Amoebiasis
Taurochenodeoxycholic acid 498.2879 2.958113 33.07833 0.044239 Primary bile acid biosynthesis; Secondary bile acid biosynthesis; Bile secretion
9,10-Epoxyoctadecenoic acid 295.2257 1.591986 0.55364 0.02713 Linoleic acid metabolism; Metabolic pathways
Alpha-dimorphecolic acid 295.2257 1.591986 0.55364 0.02713 Linoleic acid metabolism; PPAR signaling pathway
12,13-EpOME 295.2257 1.591986 0.55364 0.02713 Linoleic acid metabolism; Metabolic pathways
13S-hydroxyoctadecadienoic acid 295.2257 1.591986 0.55364 0.02713 Linoleic acid metabolism; PPAR signaling pathway
Chenodeoxycholic acid glycine conjugate 448.3056 2.59988 6.271501 0.010639 Primary bile acid biosynthesis; Secondary bile acid biosynthesis; Bile secretion
Glycocholic acid 464.3005 2.925803 9.113965 0.015133 Primary bile acid biosynthesis; Secondary bile acid biosynthesis; Metabolic pathways; Bile secretion
9,12,13-TriHOME 329.2304 2.3531 3.288932 0.006036 Linoleic acid metabolism
9,10,13-TriHOME 329.2304 2.3531 3.288932 0.006036 Linoleic acid metabolism
Adipate semialdehyde 129.0544 1.13189 0.720488 0.025688 Caprolactam degradation; Metabolic pathways; Microbial metabolism in diverse environments
Ketoleucine 129.0544 1.13189 0.720488 0.025688 Valine, leucine and isoleucine degradation; Valine, leucine and isoleucine biosynthesis; Glucosinolate biosynthesis; Metabolic pathways; Biosynthesis of secondary metabolites
Phosphoribosyl formamidocarboxamide 401.0251 1.649845 1.751775 0.003328 Purine metabolism; Metabolic pathways; Biosynthesis of secondary metabolites
Trans-Cinnamic acid 147.0438 1.2355 1.388167 0.001396 Phenylalanine metabolism; Phenylpropanoid biosynthesis; Metabolic pathways; Biosynthesis of secondary metabolites; Microbial metabolism in diverse environments

The markers were chosen on the basis of VIP from the OPLS-DA greater than 1.0, q-value <0.05, and fold change ≤0.8 or ≥1.2. “↑” and “↓” represent the compound is up- and down-regulated, respectively, in preoperative patients compared with the normal control.