Table 2.
Metabolites significantly increased with increased Procalcitonin over days 0–7.
| Metabolite | β coefficient metabolite | p-value | − log10p | q-value | Super pathway | Sub pathway |
|---|---|---|---|---|---|---|
| 3-Hydroxybutyrylcarnitine (C3-DC) | 4.17 | 1.19 E−04 | 3.92 | 6.78 E−04 | Lipid | Short-chain acylcarnitine |
| Succinylcarnitine (C4) | 4.22 | 7.58 E−04 | 3.12 | 3.17 E−03 | Energy | Short-chain acylcarnitine |
| Tiglyl carnitine (C5) | 4.42 | 9.86 E−05 | 4.01 | 5.89 E−04 | Amino acid | Short-chain acylcarnitine |
| 2-Methylbutyroylcarnitine (C5) | 3.73 | 4.04 E−04 | 3.39 | 1.86 E−03 | Amino acid | Short-chain acylcarnitine |
| Adipoylcarnitine (C6-DC) | 4.42 | 1.50 E−05 | 4.82 | 1.20 E−04 | Lipid | Short-chain acylcarnitine |
| 3-Methyladipoylcarnitine (C7-DC) | 3.08 | 4.32 E−03 | 2.36 | 1.45 E−02 | Lipid | Short-chain acylcarnitine |
| Octanoylcarnitine (C8) | 4.09 | 3.83 E−04 | 3.42 | 1.79 E−03 | Lipid | Medium-chain acylcarnitine |
| Suberoylcarnitine (C8-DC) | 3.19 | 5.57 E–−04 | 3.25 | 2.45 E−03 | Lipid | Medium-chain acylcarnitine |
| cis-4-Decenoylcarnitine (C10:1) | 4.12 | 7.12 E−04 | 3.15 | 2.99 E−03 | Lipid | Medium-chain acylcarnitine |
| Decanoylcarnitine (C10) | 3.94 | 6.74 E−04 | 3.17 | 2.86 E−03 | Lipid | Medium-chain Acylcarnitine |
| 3-Methyladipate | 5.74 | 7.40 E−09 | 8.13 | 1.91 E−07 | Lipid | Fatty acid, dicarboxylate |
| Adipate | 3.00 | 4.31 E−03 | 2.37 | 1.45 E−02 | Lipid | Fatty acid, dicarboxylate |
| 3-Hydroxyadipatea | 2.91 | 1.89 E−03 | 2.72 | 7.03 E−03 | Lipid | Fatty acid, dicarboxylate |
| 2-Hydroxyadipate | 2.77 | 3.30 E−03 | 2.48 | 1.15 E−02 | Lipid | Fatty acid, dicarboxylate |
| heptenedioate (C7:1-DC)a | 3.08 | 1.83 E−03 | 2.74 | 6.83 E−03 | Lipid | Fatty acid, dicarboxylate |
| Suberate (C8-DC) | 4.26 | 9.47 E−05 | 4.02 | 5.80 E−04 | Lipid | Fatty acid, dicarboxylate |
| Dodecanedioate (C12) | 3.41 | 3.01 E−04 | 3.52 | 1.46 E–03 | Lipid | Fatty acid, dicarboxylate |
| Dodecenedioate (C12:1-DC)a | 2.69 | 4.47 E−03 | 2.35 | 1.50 E−02 | Lipid | Fatty acid, dicarboxylate |
| Hexadecanedioate (C16) | 3.43 | 2.75 E−04 | 3.56 | 1.35 E−03 | Lipid | Fatty acid, dicarboxylate |
| Octadecadienedioate (C18:2-DC)a | 3.81 | 2.86 E−04 | 3.54 | 1.40 E−03 | Lipid | Fatty acid, dicarboxylate |
| Octadecenedioate (C18:1-DC)a | 3.09 | 1.50 E−03 | 2.83 | 5.82 E−03 | Lipid | Fatty acid, dicarboxylate |
| Octadecanedioate (C18) | 2.51 | 7.54 E−03 | 2.12 | 2.32 E−02 | Lipid | Fatty acid, dicarboxylate |
| Eicosanodioate (C20-DC) | 4.77 | 6.57 E−04 | 3.18 | 2.80 E−03 | Lipid | Fatty acid, dicarboxylate |
| Methylsuccinate | 7.44 | 1.87 E−10 | 9.73 | 8.31 E−09 | Amino acid | BCAA metabolism |
| 3-Methylglutaconate | 6.46 | 7.79 E−09 | 8.11 | 1.96 E−07 | Amino acid | BCAA metabolism |
| 2,3-Dihydroxy-2-methylbutyrate | 6.44 | 2.75 E−09 | 8.56 | 8.70 E−08 | Amino acid | BCAA metabolism |
| 3-Hydroxy-2-ethylpropionate | 5.22 | 1.64 E−04 | 3.79 | 8.72 E−04 | Amino acid | BCAA metabolism |
| N-Acetylvaline | 5.19 | 6.79 E−04 | 3.17 | 2.87 E−03 | Amino acid | BCAA metabolism |
| beta-Hydroxyisovalerate | 5.16 | 1.30 E−04 | 3.89 | 7.20 E−04 | Amino acid | BCAA metabolism |
| N-Acetylisoleucine | 4.25 | 2.35 E−03 | 2.63 | 8.50 E−03 | Amino acid | BCAA metabolism |
| Ethylmalonate | 4.16 | 1.29 E−03 | 2.89 | 5.21 E−03 | Amino acid | BCAA metabolism |
| Isovalerylglycine | 2.29 | 1.52 E−02 | 1.82 | 4.08 E−02 | Amino acid | BCAA metabolism |
| Sedoheptulose | 4.78 | 2.40 E−05 | 4.62 | 1.83 E−04 | Carbohydrate | Pentose metabolism |
| Arabonate/xylonate | 4.37 | 5.22 E−04 | 3.28 | 2.35 E−03 | Carbohydrate | Pentose metabolism |
| Ribonate | 3.98 | 3.03 E−03 | 2.52 | 1.07 E−02 | Carbohydrate | Pentose metabolism |
| Arabinose | 3.60 | 1.31 E−03 | 2.88 | 5.26 E−03 | Carbohydrate | Pentose metabolism |
| Ribitol | 3.26 | 1.30 E−02 | 1.89 | 3.61 E−02 | Carbohydrate | Pentose metabolism |
Using repeated measures data (day 0, 3 and 7), the association between relative quantitation of each individual metabolite noted above and Procalcitonin levels over time were determined utilizing linear mixed-effects models correcting for age, sex, baseline 25(OH)D, absolute increase in 25(OH)D, SAPS II, admission diagnosis, plasma day and an individual subject-specific random-intercept. All significant mixed-effects associations have false discovery rate adjusted p-value (q-value) < 0.05. BCAA is Branched-Chain Amino Acids inclusive of Leucine, Isoleucine and Valine. For the Acylcarnitines sub pathway: a capital C is followed by the number of carbons within the fatty acyl group attached to the carnitine. A colon followed by a number is one or more unsaturated carbons in the acylcarnitine ester (i.e. C10:1 is a monounsaturated C10 acylcarnitine). DC following the carbon number is a dicarboxylic acylcarnitine.
aPutative identification (Level 2) where predictive or externally acquired structure evidence is present when a reference standard does not exist.