Table 1.
Functional annotation of overlapped metabolite biomarkers between L-LH and H-HH sets.
| No. | Name | Function | L-LH | H-HH | ||
|---|---|---|---|---|---|---|
| FC | VIP | FC | VIP | |||
| 1 | Nicotinamide | Component of the coenzyme NAD, cofactor, antioxidant, neuroprotective agent, anti-inflammatory agent. | 11.53 | 2.08 | 11.21 | 1.55 |
| 2 | (-)-Naringenin | Inhibitor to cytochrome P450 isoform CYP1A2. | 8.74 | 1.68 | 6.22 | 1.77 |
| 3 | O-Acetyl-L-serine | Takes part in cysteine and glutathione metabolism. | 5.16 | 2.2 | 5.47 | 1.78 |
| 4 | Maleamic acid | Conjugate acid of a maleamate. | 5.94 | 2.08 | 5.06 | 1.74 |
| 5 | 2-Methylbutyroylcarnitine* | Intermediate of isoleucine metabolism. | 9.55 | 2.36 | 4.55 | 2.25 |
| 6 | Stearoylcarnitine* | Metabolite biomarker suggests carnitine palmitoyltransferase (CPT) II deficiency. | 4.15 | 1.97 | 3.71 | 2.46 |
| 7 | 1,3-Dimethyluric acid | Metabolite from the metabolism of methylxanthines (caffeine, theophylline, and theobromine) mainly catalyzed by CYP1A2. | 3.54 | 2.21 | 3.59 | 2.26 |
| 8 | Iminodiacetic acid | Chelator of Ca2+, Mg2+ and polymer to create an ion-exchange resin. | 3.6 | 2.34 | 3.45 | 2.38 |
| 9 | Imidazoleacetic acid | Metabolite product of histamine metabolism. | 1.52 | 1.7 | 3.45 | 2.38 |
| 10 | 1,7-Dimethyluric acid | A metabolite from the metabolism of methylxanthines (caffeine, theophylline, and theobromine) mainly catalyzed by CYP1A2. | 2.19 | 1.78 | 3.33 | 1.6 |
| 11 | CDP-choline | Essential molecule for membranes biosynthesis and repair, molecule for neuroprotection. | 2.72 | 2.26 | 3.11 | 2.12 |
| 12 | Amrinone | Acardiotonic, vasodilator. | 2.08 | 2.04 | 2.8 | 2.06 |
| 13 | DL-Indole-3-lactic acid* | Metabolite of tryptophan. | 1.93 | 2.14 | 2.67 | 2.36 |
| 14 | Suberic acid* | Metabolite biomarker suggests deficiencies of medium-chain acyl-CoA dehydrogenase, carnitine-acylcarnitine translocase, or malonyl-CoA decarboxylase. | 1.85 | 1.76 | 2.34 | 2.14 |
| 15 | alpha-Guanidinoglutaric acid* | Derivative of glutaric acid, which can induce seizures. | 1.95 | 2.28 | 2.33 | 2.36 |
| 16 | Creatine | Facilitator of ATP biosynthesis. | 1.75 | 2.08 | 2.19 | 2.37 |
| 17 | D-Biotin | An important component of enzymes involved in metabolizing fats and carbohydrates. Maintains cellular metabolism. | 2.24 | 2.05 | 2.19 | 1.75 |
| 18 | MDMA | Nervous stimulant. Facilitates ATP production. | 1.96 | 2.16 | 2.11 | 2.24 |
| 19 | Phenelzine | Non-selective and irreversible monoamine oxidase inhibitor, neuroregulator. | 1.73 | 2.14 | 2.08 | 2.35 |
| 20 | 7-Methylxanthine | Metabolite from the metabolism of methylxanthines (caffeine, theophylline, and theobromine) mainly catalyzed by CYP1A2. | 1.54 | 1.69 | 2.05 | 1.95 |
| 21 | N-Acetyl-L-tyrosine# | Metabolite biomarker suggests aromatic L-amino acid decarboxylase deficiency. | 1.92 | 1.72 | 2.04 | 1.59 |
| 22 | Acamprosate | Metabolite could stabilize the chemical balance with side effect of irregular heartbeats. | 2.11 | 1.85 | 2.03 | 1.6 |
| 23 | Erythrono-1,4-lactone | Lactone of tetronic acid. | 2.07 | 2.42 | 1.79 | 2.29 |
| 24 | 5-Methylcytidine | Post-transcriptional modifications found in tRNA, snRNA, and rRNA. | 1.86 | 2.21 | 1.72 | 1.95 |
| 25 | 5-Hydroxyindoleacetate# | Metabolite involved in tryptophan metabolism. Breakdown product of serotonin. | 1.98 | 1.75 | 1.72 | 1.84 |
| 26 | Niflumic Acid | Inhibitor of chloride channels and T-type calcium channels. Inhibitor of phospholipase A2 and cyclooxygenase-2. | 2.06 | 1.85 | 1.7 | 1.65 |
| 27 | L-Kynurenine* | Intermediate metabolite of tryptophan. Metabolite biomarker suggests kynurenine-3-monooxygenase deficiency. | 1.81 | 2.18 | 1.64 | 1.73 |
| 28 | L-Palmitoylcarnitine* | Metabolite biomarker suggests carnitine palmitoyltransferase (CPT) II deficiency. | 1.78 | 1.54 | 1.62 | 1.8 |
Note: HMDB, PubChem, and UniProt were applied in metabolites function annotation. *Indicates metabolites associated with enzymes in mitochondria; #Indicates metabolites associated with enzymes in cytoplasm.