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Table 1 52 metabolite peaks detected using gas chromatography mass spectrometry (GC-MS) including corresponding KEGG ID or associated pathway

From: A novel untargeted metabolomics correlation-based network analysis incorporating human metabolic reconstructions

ID Metabolite name KEGG ID Pathway
1 Glycine C00037 Amino acid metabolism
2 Lactate C00186 Glycolysis pathway
3 Pyruvate C00022 Glycolysis pathway
4 Valine C00183 Amino acid metabolism
5 Leucine C00123 Amino acid metabolism
6 Glycerol C00116 Glycerolipid Metabolism
7 Isoleucine C00407 Amino acid metabolism
8 Leucine C00123 Amino acid metabolism
9 Malonate C00383 Pyrimidine metabolism
10 Glycine C00037 Amino acid metabolism
11 Phosphate C00009 Osmolyte, enzyme cofactor, signalling
12 Threonine C00188 Amino acid metabolism
13 Alanine C00041 Amino acid metabolism
14 Threonine C00188 Amino acid metabolism
15 Succinate C00042 TCA cycle
16 Benzoic acid C00180 Unknown
17 Threitol/erythritol C00503 Unknown
18 Malate C00149 TCA cycle
19 4-hydroxyproline C01157 Amino acid metabolism
20 Aspartate C00049 Amino acid metabolism
21 4-aminobutyric acid C00334 Amino acid metabolism
22 Aspartate C00049 Amino acid metabolism
23 4-hydroxyproline C01157 Amino acid metabolism
24 Xylitol C00379 Pentose and glucuronate interconversion metabolism
25 2-hydroxyglutaric acid C03196 Butanoate metabolism
26 4-hydroxybenzoic acid C00156 Carbohydrate metabolism
27 Methionine C00073 Amino acid metabolism
28 Creatinine C00791 Amino acid metabolism
29 Putrescine C00134 Amino acid metabolism
30 Hypotaurine C00519 Amino acid metabolism
31 Glutamate C00025 Amino acid metabolism
32 2-oxoglutarate C00026 TCA cycle
33 Fructose C02336 Carbohydrate metabolism
34 Sorbose/fructose - Carbohydrate metabolism
35 Sorbitol/galactose /glucose - Carbohydrate metabolism
36 Sorbose/fructose - Carbohydrate metabolism
37 Glycerol 3-phosphate C00093 Glycolysis pathway
38 Galactose/glucose - Carbohydrate metabolism
39 Galactose/glucose - Carbohydrate metabolism
40 Galactose/glucose - Carbohydrate metabolism
41 Citrate C00158 TCA cycle
42 N-acetyl aspartate C01042 Amino acid metabolism
43 Glucose C00031 Carbohydrate metabolism
44 Scyllo-inositol C06153 Carbohydrate metabolism
45 Lysine C00047 Amino acid metabolism
46 Myo-inositol - Carbohydrate metabolism
47 Pantothenic acid C00864 Pantothenate and CoA biosynthesis
48 Tyramine/tyrosine - Amino acid metabolism
49 Hexadecanoic acid C00249 Fatty acid metabolism
50 Octadecanoic acid C01530 Fatty acid metabolism
51 Myo-inositol phosphate C01177 Carbohydrate metabolism
52 Lactose/maltose - Carbohydrate metabolism
  1. Those metabolites that possess a KEGG identifier are those that have been definitively identified to Level of MSI [18].