Table 5.
Univariate results of the metabolites from broad metabolomics
| Metabolite | Test | ASD-M (mean ± std) N = 30 | TD-M (mean ± std) N = 29 | p-Value | FDR | AUC | Ratio (ASD-M/TD-M) |
|---|---|---|---|---|---|---|---|
| Fructose Δ | t ≠ † | 2.08E6 ± 7.88E5 | 3.61E6 ± 2.07E6 | 6.88E-04 | 0.00 | 0.81 | 0.60 |
| Histidylglutamate Δ | t ≠ | 1.05E5 ± 3.25E4 | 7.27E4 ± 2.05E4 | 2.67E-05 | 0.00 | 0.80 | 1.50 |
| Decanoylcarnitine (C10) Δ b | t ≠ | 3.73E6 ± 1.48E6 | 5.85E6 ± 2.36E6 | 1.55E-04 | 0.00 | 0.78 | 0.66 |
| S-1-pyrroline-5-carboxylate Δ | MW | 1.62E5 ± 1.06E5 | 2.65E5 ± 1.14E5 | 3.09E-04 | 0.00 | 0.77 | 0.63 |
| Octanoylcarnitine (C8) Δ b | MW | 1.96E6 ± 7.67E5 | 3.00E6 ± 1.17E6 | 4.00E-04 | 0.00 | 0.77 | 0.67 |
| 4-vinylphenol sulfate Δ | t ≠ † | 6.52E5 ± 6.79E5 | 2.20E6 ± 2.27E6 | 1.30E-03 | 0.00 | 0.77 | 0.31 |
| Cis-4-decenoylcarnitine (C10:1) Δ b | t= | 2.25E6 ± 7.42E5 | 3.12E6 ± 1.07E6 | 5.82E-04 | 0.00 | 0.74 | 0.75 |
| N-formylanthranilic acid Δ | t= | 1.12E5 ± 5.20E4 | 1.67E5 ± 7.04E4 | 1.20E-03 | 0.00 | 0.74 | 0.69 |
| N-acetylasparagine Δ | t ≠ † | 3.31E5 ± 6.33E4 | 4.37E5 ± 1.60E5 | 1.90E-03 | 0.00 | 0.73 | 0.78 |
| Arachidoylcarnitine (C20)a Δ b | MW | 4.68E5 ± 2.09E5 | 5.80E5 ± 1.75E5 | 3.00E-03 | 0.00 | 0.73 | 0.85 |
| N-palmitoylglycine Δ | t= | 7.60E4 ± 2.51E4 | 9.76E4 ± 2.65E4 | 2.20E-03 | 0.00 | 0.72 | 0.81 |
| Citrulline Δ | t= | 3.36E7 ± 4.90E6 | 3.82E7 ± 6.37E6 | 2.60E-03 | 0.00 | 0.72 | 0.91 |
| 6-hydroxyindole sulfate Δ | t ≠ | 2.94E5 ± 1.56E5 | 5.16E5 ± 3.07E5 | 1.20E-03 | 0.00 | 0.72 | 0.59 |
| N-palmitoylserine Δ | MW | 6.90E4 ± 3.61E4 | 9.33E4 ± 3.78E4 | 4.00E-03 | 0.00 | 0.72 | 0.77 |
| Myristoylcarnitine (C14) Δ b | MW | 2.61E6 ± 1.21E6 | 3.30E6 ± 1.17E6 | 4.10E-03 | 0.00 | 0.72 | 0.82 |
| Laurylcarnitine (C12) Δ b | MW | 1.41E6 ± 5.33E5 | 1.96E6 ± 8.25E5 | 4.30E-03 | 0.00 | 0.72 | 0.74 |
| Stearoylcarnitine (C18) Δ b | MW | 2.15E7 ± 8.37E6 | 2.61E7 ± 6.68E6 | 0.01 | 0.00 | 0.71 | 0.85 |
| Gamma-glutamylglycine Δ | t ≠ † | 2.91E4 ± 5.86E4 | 1.12E5 ± 1.24E5 | 2.20E-03 | 0.00 | 0.71 | 0.27 |
| 5-oxoproline Δ | t= | 9.59E6 ± 1.30E6 | 1.05E7 ± 1.29E6 | 0.01 | 0.00 | 0.70 | 0.94 |
| Asparaginylalanine Δ | t= | 8.80E4 ± 2.68E4 | 6.89E4 ± 2.16E4 | 3.90E-03 | 0.00 | 0.70 | 1.32 |
| Glutamine Δ | t= | 4.11E8 ± 5.43E7 | 4.46E8 ± 5.38E7 | 0.02 | 0.00 | 0.70 | 0.95 |
| Catechol sulfate Δ | MW | 2.10E6 ± 1.54E6 | 3.22E6 ± 1.83E6 | 0.01 | 0.00 | 0.70 | 0.67 |
| 3-indoxyl sulfate Δ | t ≠ | 7.41E6 ± 3.56E6 | 1.15E7 ± 5.98E6 | 2.70E-03 | 0.00 | 0.70 | 0.67 |
| 7-methylxanthine Δ | MW | 1.56E5 ± 3.18E5 | 2.75E5 ± 2.48E5 | 0.01 | 0.00 | 0.70 | 0.58 |
| Phenol sulfate Δ | MW | 1.22E7 ± 7.67E6 | 1.88E7 ± 1.21E7 | 0.01 | 0.00 | 0.70 | 0.67 |
| Cinnamoylglycine Δ | t ≠ † | 1.73E5 ± 1.59E5 | 3.87E5 ± 4.08E5 | 0.01 | 0.00 | 0.70 | 0.46 |
| Alpha-ketoglutaramatea Δ | t= | 2.53E6 ± 1.46E6 | 3.59E6 ± 1.77E6 | 0.02 | 0.00 | 0.70 | 0.73 |
| Isovalerylglycine Δ | MW | 5.91E4 ± 2.88E4 | 7.81E4 ± 2.82E4 | 0.01 | 0.00 | 0.69 | 0.78 |
| Propionylglycine Δ | MW | 9.15E4 ± 1.19E5 | 1.97E5 ± 1.89E5 | 0.01 | 0.00 | 0.69 | 0.48 |
| Docosapentaenoylcarnitine (C22:5n3)a Δ b | MW | 1.61E5 ± 1.16E5 | 2.31E5 ± 1.39E5 | 0.01 | 0.00 | 0.69 | 0.72 |
| N-acetyl-2-aminooctanoatea Δ | t ≠ | 7.20E4 ± 4.51E4 | 1.38E5 ± 1.05E5 | 3.20E-03 | 0.00 | 0.69 | 0.54 |
| S-methylglutathione Δ | t= | 2.06E5 ± 5.87E4 | 2.47E5 ± 7.06E4 | 0.02 | 0.01 | 0.69 | 0.86 |
| Gamma-glutamyltyrosine Δ | MW | 4.25E4 ± 3.40E4 | 6.83E4 ± 3.29E4 | 0.02 | 0.00 | 0.68 | 0.64 |
| Succinylcarnitine (C4-DC) Δ b | t= | 2.80E6 ± 8.21E5 | 3.31E6 ± 9.04E5 | 0.03 | 0.07 | 0.68 | 0.87 |
| Arachidonoylcarnitine (C20:4) Δ b | MW | 1.10E6 ± 5.59E5 | 1.47E6 ± 8.12E5 | 0.02 | 0.00 | 0.68 | 0.77 |
| Glycine Δ | t= | 2.04E7 ± 4.44E6 | 2.42E7 ± 6.07E6 | 0.01 | 0.00 | 0.68 | 0.87 |
| N-acetylvaline | t= | 7.51E4 ± 4.01E4 | 9.74E4 ± 3.92E4 | 0.04 | 0.28 | 0.68 | 0.80 |
| Lignoceroylcarnitine (C24)a Δ b | t= | 6.12E5 ± 1.72E5 | 7.48E5 ± 2.61E5 | 0.02 | 0.01 | 0.68 | 0.84 |
| Guaiacol sulfate Δ | MW | 4.23E5 ± 4.12E5 | 5.42E5 ± 3.12E5 | 0.02 | 0.01 | 0.68 | 0.81 |
| 5-methylthioadenosine (MTA) Δ | MW | 2.60E5 ± 1.28E5 | 3.12E5 ± 1.11E5 | 0.02 | 0.00 | 0.68 | 0.86 |
| Proline Δ | MW | 2.44E8 ± 4.76E7 | 2.80E8 ± 5.83E7 | 0.02 | 0.00 | 0.68 | 0.90 |
| Pyridoxate Δ | MW | 6.26E6 ± 2.78E5 | 8.61E5 ± 4.53E5 | 0.02 | 0.00 | 0.68 | 0.75 |
| Palmitoylcarnitine (C16) Δ b | MW | 3.12E7 ± 8.25E6 | 3.89E7 ± 1.33E7 | 0.02 | 0.03 | 0.67 | 0.83 |
| Eicosenoylcarnitine (C20:1)a Δ b | MW | 1.46E6 ± 4.30E5 | 1.82E6 ± 7.46E5 | 0.02 | 0.05 | 0.67 | 0.83 |
| Nicotinamide adenine dinucleotide (NAD+) Δ | t ≠ † | 5.53E4 ± 5.46E4 | 1.39E5 ± 1.91E5 | 0.03 | 0.05 | 0.67 | 0.41 |
| Dimethyl sulfone | MW | 6.06E5 ± 2.08E6 | 3.36E4 ± 1.04E5 | 0.01 | 0.23 | 0.67 | 18.7 |
| Tiglylcarnitine (C5:1-DC) Δ b | MW | 3.18E4 ± 3.19E4 | 5.19E4 ± 3.40E4 | 0.02 | 0.02 | 0.67 | 0.63 |
| Adrenoylcarnitine (C22:4)a b | MW | 2.67E5 ± 1.50E5 | 3.75E5 ± 2.38E5 | 0.03 | 0.11 | 0.67 | 0.74 |
| 3-methylxanthine | MW | 2.32E5 ± 3.76E5 | 3.22E5 ± 3.10E5 | 0.03 | 0.13 | 0.67 | 0.74 |
| Mannose | MW | 1.49E7 ± 3.96E6 | 1.27E7 ± 2.19E6 | 0.03 | 0.19 | 0.67 | 1.21 |
The metabolites listed here are the 50 metabolites measured by Metabolon from broad metabolomics with the highest area under the receiver operating characteristic (ROC) curve (AUC). Metabolites with p-value ≤ 0.05 and FDR ≤ 0.1 marked with Δ. The possible hypothesis tests include Welch’s test without the normality criteria being met (t ≠ †), Welch’s test (t ≠), Mann-Whitney U (MW, and Student’s t-test (t=). The a indicates metabolites that have not been officially confirmed based on a standard, but Metabolon is confident in the metabolite’s identity. The b indicates carnitine-conjugated metabolites