TABLE 2.
Metabolites derived from the pairwise PLS‐DA models
| ID | Metabolite | VIP | p value | Regulated | Superclass |
|---|---|---|---|---|---|
| M319T310 | 18‐Hydroxyeicosatetraenoic acid | 4.144667 | 8.28 × 10−9 | Down | Lipids and lipid‐like molecules |
| M474T209 | LysoPE 18:3 | 2.801086 | 1.85 × 10−5 | Down | Lipids and lipid‐like molecules |
| M137T56 | 1‐Methylnicotinamide | 2.783056 | 0.000413966 | Down | Organoheterocyclic compounds |
| M611T95 | L‐Glutathione (oxidised form) | 2.762714 | 8.19 × 10−7 | Down | Organic acids and derivatives |
| M504T267 | LysoPE 20:2 | 2.70355 | 8.40 × 10−5 | Down | Lipids and lipid‐like molecules |
| M167T237 | Phthalic acid | 2.702434 | 1.33 × 10−7 | Down | Benzenoids |
| M498T205 | LysoPE 20:5 | 2.682045 | 4.89 × 10−7 | Down | Lipids and lipid‐like molecules |
| M611T62_3 | Glutathione, oxidised | 2.603731 | 2.21 × 10−6 | Down | Organic acids and derivatives |
| M590T247 | LysoPC 20:3 | 2.554472 | 2.75 × 10−6 | Down | Lipids and lipid‐like molecules |
| M450T211 | LysoPE 16:1 | 2.553959 | 7.84 × 10−6 | Down | Lipids and lipid‐like molecules |
| M544T245 | LysoPS 20:4; LysoPS 20:4 | 2.53665 | 6.93 × 10−5 | Down | Lipids and lipid‐like molecules |
| M612T222 | LysoPC 22:6 | 2.528219 | 9.56 × 10−7 | Down | Lipids and lipid‐like molecules |
| M506T257 | Plasmenyl‐PE 20:0; PE(P‐16:0/4:0) | 2.499394 | 1.73 × 10−5 | Down | Lipids and lipid‐like molecules |
| M592T272 | LysoPC 20:2 | 2.482021 | 1.90 × 10−6 | Down | Lipids and lipid‐like molecules |
| M566T257 | LysoPC 18:1 | 2.458142 | 9.56 × 10−7 | Down | Lipids and lipid‐like molecules |
| M436T257 | PE(P‐16:0e/0:0) | 2.443241 | 1.02 × 10−5 | Down | Lipids and lipid‐like molecules |
| M277T238 | Mono‐2‐ethylhexyl phthalate | 2.408902 | 5.42 × 10−6 | Down | Benzenoids |
| M538T217 | LysoPC 16:1 | 2.356646 | 1.94 × 10−6 | Down | Lipids and lipid‐like molecules |
| M586T206 | LysoPC 20:5 | 2.346388 | 4.31 × 10−7 | Down | Lipids and lipid‐like molecules |
| M552T246 | LysoPC 17:1 | 2.303782 | 0.000118428 | Down | Lipids and lipid‐like molecules |
| M522T285 | LysoPS 18:1; LysoPS 18:1 | 2.298806 | 4.81 × 10−6 | Down | Lipids and lipid‐like molecules |
| M502T245 | LysoPE 20:3 | 2.277507 | 8.72 × 10−5 | Down | Lipids and lipid‐like molecules |
| M536T204 | LysoPC 16:2 | 2.19811 | 2.07 × 10−7 | Down | Lipids and lipid‐like molecules |
| M594T308 | LysoPC 20:1 | 2.18754 | 5.21 × 10−6 | Down | Lipids and lipid‐like molecules |
| M540T245 | LysoPC 16:0 | 2.178957 | 3.83 × 10−5 | Down | Lipids and lipid‐like molecules |
| M588T222 | LysoPC 20:4 | 2.144495 | 6.36 × 10−6 | Down | Lipids and lipid‐like molecules |
| M506T303 | LysoPE 20:1 | 2.059453 | 9.73 × 10−5 | Down | Lipids and lipid‐like molecules |
| M618T286 | LysoPC 22:3 | 2.047479 | 0.000143077 | Down | Lipids and lipid‐like molecules |
| M564T228 | LysoPC 18:2 | 2.027778 | 5.58 × 10−5 | Down | Lipids and lipid‐like molecules |
| M452T235 | LysoPE 16:0 | 2.00022 | 0.000215468 | Down | Lipids and lipid‐like molecules |
| M512T206 | LysoPC 14:0 | 1.968704 | 3.49 × 10−5 | Down | Lipids and lipid‐like molecules |
| M580T281 | LysoPC 19:1 | 1.94714 | 5.78 × 10−6 | Down | Lipids and lipid‐like molecules |
| M448T202 | LysoPE 16:2 | 1.921952 | 0.001360486 | Down | Lipids and lipid‐like molecules |
| M299T298 | 2‐Hydroxystearate | 1.919112 | 8.60 × 10−6 | Down | Lipids and lipid‐like molecules |
| M524T259 | Glycocholic acid | 1.884938 | 3.25 × 10−5 | Down | Lipids and lipid‐like molecules |
| M524T220 | LysoPE 22:6 | 1.82143 | 0.000107996 | Down | Lipids and lipid‐like molecules |
| M500T221 | LysoPE 20:4 | 1.805229 | 6.21 × 10−5 | Down | Lipids and lipid‐like molecules |
| M496T267 | LysoPS 16:0; LysoPS 16:0 | 1.78735 | 0.000107288 | Down | Lipids and lipid‐like molecules |
| M614T230 | LysoPC 22:5 | 1.784389 | 0.000165904 | Down | Lipids and lipid‐like molecules |
| M570T245 | LysoPS 22:5; LysoPS 22:5 | 1.717136 | 0.022280103 | Down | Lipids and lipid‐like molecules |
| M378T105 | S‐Lactoylglutathione | 1.650778 | 0.005595764 | Down | Organic acids and derivatives |
| M319T137 | Asn‐Trp | 4.064022 | 4.25 × 10−7 | Up | Organic acids and derivatives |
Abbreviation: PLS‐DA, partial least squares discriminant analysis.