Table 2.
Key differential metabolites between the healthy and UC groups.
| Metabolites | m/z | Rt (min) | FC | p-Value | VIP | Metabolic Pathways | Enzymes Genes |
|---|---|---|---|---|---|---|---|
| 3-Furoic acid | 113.0181 | 2.0264 | 1.23 | 7.70 × 10−4 | 3.77 | ||
| Pyroglutamic acid | 130.0465 | 2.0868 | 1.27 | 8.09 × 10−3 | 3.40 | Glutathione metabolism, glutathione synthetase | QPCT, OPLAH |
| (S)-2-Methylmalate | 149.0444 | 12.8028 | 0.65 | 3.56 × 10−2 | 1.99 | Fatty acid metabolism, lipid metabolism | |
| 3-Hydroxyanthranilic acid | 154.0442 | 2.0607 | 12.09 | 1.93 × 10−4 | 2.77 | Tryptophan metabolism | KYNU, HAAO, CAT |
| Glycylvaline | 175.1094 | 2.1603 | 1.48 | 4.45 × 10−3 | 1.61 | ||
| Paraxanthine | 181.0705 | 2.0425 | 1.40 | 4.93 × 10−5 | 1.33 | Caffeine metabolism | NAT1, NAT2, XDH |
| Leucodopachrome | 196.0561 | 8.1400 | 2.74 | 1.10 × 10−6 | 7.26 | Tyrosine metabolism | |
| L-Tryptophan | 205.0974 | 5.7118 | 0.83 | 1.45 × 10−3 | 9.65 | Tryptophan metabolism | DDC, IDO1, TPH1 |
| 3-(Dimethylamino) propyl benzoate | 208.1290 | 4.8659 | 6.81 | 2.255 × 10−3 | 1.82 | ||
| Glycyl-Phenylalanine | 223.1056 | 5.2276 | 1.27 | 1.74 × 10−2 | 1.22 | ||
| Leucylleucine | 245.1841 | 7.8416 | 0.66 | 3.56 × 10−3 | 2.36 | ||
| Glutamylvaline | 247.1279 | 3.5562 | 0.37 | 2.39 × 10−12 | 3.35 | ||
| gamma-Glutamylleucine | 261.1455 | 6.2629 | 0.57 | 8.60 × 10−10 | 2.86 | ||
| Oleamide | 282.2768 | 25.5358 | 1.76 | 1.20 × 10−4 | 1.05 | Fatty acid metabolism, lipid metabolism | FAAH, PLA2G2A |
| L-Octanoylcarnitine | 288.2164 | 15.4359 | 0.69 | 2.51 × 10−2 | 1.68 | Mitochondrial beta-oxidation of short-chain saturated fatty acids | CROT |
| Methyl linolenate | 293.2493 | 42.8410 | 0.70 | 1.99 × 10−8 | 4.07 | ||
| 17-Hydroxylinolenic acid | 295.2280 | 36.7773 | 0.11 | 1.04 × 10−8 | 1.60 | Fatty acid metabolism, lipid metabolism | |
| 3-Dehydrosphinganine | 300.2854 | 25.5358 | 1.78 | 6.96 × 10−4 | 2.16 | Sphingolipid metabolism | GBGT1, PIGL, SPTLC1 |
| Phenylalanyl phenylalanine | 313.1578 | 10.2882 | 0.70 | 9.95 × 10−3 | 6.74 | ||
| Decanoylcarnitine | 316.2458 | 19.5269 | 0.65 | 3.45 × 10−2 | 2.21 | Fatty acid metabolism, lipid metabolism | |
| Phytosphingosine | 318.3016 | 21.1592 | 1.33 | 7.22 × 10−3 | 4.95 | Sphingolipid metabolism | GBGT1, PIGL, PIGQ |
| Glycocholic acid | 448.3052 | 23.5106 | 0.16 | 5.79 × 10−6 | 1.08 | Bile acid biosynthesis | BAAT, GLYAT, GLYATL3 |
| Glycochenodeoxycholate | 450.3251 | 25.9395 | 0.13 | 1.34 × 10−5 | 2.44 | Bile acid biosynthesis | BAAT, GLYAT, GLYATL3 |
| LysoPC(15:0/0:0) | 482.3287 | 31.1631 | 0.68 | 2.90 × 10−4 | 2.16 | Glycerophospholipid metabolism, lipid metabolism | LYPLA1, PLA2G15 |
| LysoPC(16:1(9Z)/0:0) | 494.3247 | 30.8185 | 0.49 | 7.76 × 10−4 | 1.28 | Glycerophospholipid metabolism, lipid metabolism | LYPLA1, PLA2G15 |
| LysoPE(20:0) | 516.3382 | 16.7751 | 0.76 | 3.98 × 10−3 | 2.81 | Fatty acid metabolism, lipid metabolism | ENPP2 |
| LysoPC(18:1(9Z)/0:0) | 522.3610 | 35.3163 | 0.30 | 4.35 × 10−6 | 5.12 | Fatty acid metabolism, lipid metabolism | LYPLA1, PLA2G15 |
| LysoPE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) | 526.2905 | 31.5744 | 1.36 | 2.40 × 10−3 | 1.91 | Glycerophospholipid metabolism, lipid metabolism | ENPP2 |
| LysoPE(22:0/0:0) | 560.3676 | 17.1108 | 0.75 | 2.84 × 10−3 | 3.11 | Glycerophospholipid metabolism, lipid metabolism | ENPP2 |
| PC(18:1(9Z)/16:1(9Z)) | 780.5490 | 51.6295 | 1.48 | 1.33 × 10−2 | 4.85 | Phosphatidylcholine biosynthesis | LYPLA1, PLA2G15 |
| PC(18:3(6Z,9Z,12Z)/18:1(9Z)) | 782.5640 | 51.6295 | 1.23 | 3.16 × 10−2 | 2.69 | Phosphatidylcholine biosynthesis | LYPLA1,PLA2G15 |