Table 2.
Identified differential metabolites between the drug-naive MDD, drug-treatment MDD and health controls
| Metabolites | DN-MDD vs HCs | DT-MDD vs HCs | DT-MDD vs DN-MDD | Pathways | |||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| ESI+/− | FC | FDR | VIP | ESI+/− | FC | FDR | VIP | ESI+/− | FC | FDR | VIP | ||
| L-Arginine | − | 2.30 | <0.001 | 2.00 | − | 2.23 | <0.001 | 1.94 | — | — | — | — | Amino acid metabolism |
| L-Pyroglutamic acid | + | 0.52 | <0.001 | 1.12 | + | 0.47 | <0.001 | 1.20 | — | — | — | — | Amino acid metabolism |
| carnitine(10:0) | + | 0.61 | 0.0001 | 1.04 | + | 0.61 | <0.001 | 1.02 | — | — | — | — | Beta oxidation of fatty acids |
| Bilirubin | + | 0.62 | <0.001 | 1.02 | + | 0.59 | <0.001 | 1.10 | — | — | — | — | Bile acid metabolism |
| Biliverdin | ± | 0.45 | <0.001 | 1.40 | ± | 0.47 | <0.001 | 1.34 | — | — | — | — | Bile acid metabolism |
| Chenodeoxycholate | − | 1.95 | 0.042 | 1.03 | — | — | — | — | — | — | — | — | Bile acid metabolism |
| Taurochenodeoxycholate | — | — | — | — | − | 1.86 | 0.037 | 1.66 | — | — | — | — | Bile acid metabolism |
| Glycochenodeoxycholate | — | — | — | — | − | 1.99 | 0.005 | 1.42 | — | — | — | — | Bile acid metabolism |
| Creatine | + | 0.65 | 0.015 | 1.18 | + | 0.56 | 0.006 | 1.28 | — | — | — | — | Energy metabolism |
| Creatinine | + | 0.37 | <0.001 | 1.75 | + | 0.35 | <0.001 | 1.82 | — | — | — | — | Energy metabolism |
| alpha-Linolenic acid | - | 0.45 | <0.001 | 2.09 | − | 0.50 | <0.001 | 1.90 | — | — | — | — | Fatty acid metabolism |
| Arachidonic Acid | - | 0.69 | <0.001 | 1.06 | − | 0.57 | <0.001 | 1.35 | — | — | — | — | Fatty acid metabolism |
| Azelaic acid | - | 16.33 | 0.002 | 2.24 | − | 18.12 | 0.003 | 2.66 | — | — | — | — | Fatty acid metabolism |
| Capric acid | - | 0.58 | <0.001 | 1.49 | − | 0.61 | 0.005 | 1.26 | — | — | — | — | Fatty acid metabolism |
| cis-9-Palmitoleic acid | - | 0.42 | <0.001 | 2.20 | − | 0.45 | <0.001 | 2.02 | — | — | — | — | Fatty acid metabolism |
| Dodecanoic acid | - | 0.48 | <0.001 | 2.01 | − | 0.50 | 0.002 | 2.03 | — | — | — | — | Fatty acid metabolism |
| Eicosapentaenoic acid | - | 0.61 | 0.001 | 1.34 | − | 0.45 | <0.001 | 1.63 | — | — | — | — | Fatty acid metabolism |
| Linoleic acid | - | 0.41 | <0.001 | 2.07 | − | 0.50 | <0.001 | 1.85 | — | — | — | — | Fatty acid metabolism |
| Oleic acid | - | 0.50 | <0.001 | 1.90 | − | 0.53 | <0.001 | 1.72 | — | — | — | — | Fatty acid metabolism |
| Palmitic acid | - | 0.57 | <0.001 | 1.65 | − | 0.61 | <0.001 | 1.48 | — | — | — | — | Fatty acid metabolism |
| LPS(18:3/0:0) | - | 1.60 | <0.001 | 1.24 | − | 1.67 | <0.001 | 1.38 | — | — | — | — | Lipid metabolism |
| PC(10:0/14:1) | + | 0.03 | <0.001 | 3.29 | + | 0.02 | <0.001 | 3.41 | — | — | — | — | Lipid metabolism |
| PC(12:0/22:5) | + | 0.03 | <0.001 | 3.29 | + | 0.02 | <0.001 | 3.36 | — | — | — | — | Lipid metabolism |
| PC(13:0/22:2) | + | 12.07 | <0.001 | 1.40 | + | 11.52 | <0.001 | 1.40 | — | — | — | — | Lipid metabolism |
| PC(18:0/0:0) | + | 24.53 | <0.001 | 1.27 | + | 16.61 | <0.001 | 1.23 | — | — | — | — | Lipid metabolism |
| PC(18:1/0:0) | − | 1.50 | <0.001 | 1.13 | — | — | — | — | — | — | — | Lipid metabolism | |
| PC(18:2/24:4) | + | 3.14 | <0.001 | 1.10 | + | 3.09 | <0.001 | 1.09 | — | — | — | — | Lipid metabolism |
| PC(20:5/0:0) | + | 6.01 | <0.001 | 1.40 | + | 6.69 | 0.003 | 1.31 | — | — | — | — | Lipid metabolism |
| PC(20:5/24:4) | + | 0.05 | <0.001 | 3.07 | + | 0.03 | <0.001 | 3.25 | — | — | — | — | Lipid metabolism |
| PE(18:1/0:0) | − | 1.54 | <0.001 | 1.11 | − | 1.83 | <0.001 | 1.42 | — | — | — | — | Lipid metabolism |
| PE(18:2/0:0) | − | 1.48 | <0.001 | 1.00 | − | 1.61 | <0.001 | 1.23 | — | — | — | — | Lipid metabolism |
| PA(18:2/0:0) | — | — | — | — | − | 1.20 | 0.003 | 1.72 | — | — | — | — | Lipid metabolism |
| PC(16:1/22:6) | — | — | — | — | — | — | — | — | + | 1.48 | 0.030 | 2.09 | Lipid metabolism |
| PC(18:4/0:0) | — | — | — | — | — | — | — | — | + | 1.15 | 0.045 | 1.10 | Lipid metabolism |
| PC(22:5/0:0) | — | — | — | — | — | — | — | — | + | 1.36 | 0.030 | 1.71 | Lipid metabolism |
| PE(20:4/0:0) | — | — | — | — | — | — | — | — | + | 1.31 | 0.043 | 1.98 | Lipid metabolism |
| Adenosine | + | 0.09 | 0.015 | 2.06 | + | 0.06 | 0.047 | 2.36 | + | 0.72 | 0.039 | 2.15 | Purine metabolism |
| Inosine | ± | 0.02 | <0.001 | 3.85 | + | 0.21 | <0.001 | 3.41 | + | 10.83 | 0.030 | 3.02 | Purine metabolism |
| Hypoxanthine | − | 0.22 | <0.001 | 3.56 | − | 0.52 | 0.006 | 2.91 | — | — | — | — | Purine metabolism |
| Betaine | + | 0.67 | <0.001 | 1.16 | + | 0.68 | <0.001 | 1.13 | — | — | — | — | Other |
| D-Allose | − | 1.77 | <0.001 | 1.42 | − | 1.80 | <0.001 | 1.52 | — | — | — | — | Other |
| Glycyl-L-leucine | + | 9.89 | <0.001 | 1.39 | + | 15.53 | <0.001 | 1.44 | — | — | — | — | Other |
DN-MDD drug-naive major depressive disorder, DT-MDD drug-treated major depressive disorder, ESI electrospray ionization, FC fold change, FDR false discovery rate, HCs healthy controls, VIP variable importance in the projection