Table 1.
Class | Sub-class | Biochemical Name | HMDB ID | Fold Change (SCI + vehicle / control) |
p Value | q Value |
---|---|---|---|---|---|---|
Amino acid | Glycine, serine and threonine metabolism | glycine | HMDB00123 | −1.35 | < 0.001 | 0.0003 |
homoserine | HMDB00719 | −1.18 | 0.0780 | 0.0650 | ||
betaine | HMDB00043 | 2.22 | < 0.001 | 0.0000 | ||
Alanine and aspartate metabolism | alanine | HMDB00161 | 1.19 | 0.0236 | 0.0276 | |
aspartate | HMDB00191 | −1.22 | 0.0091 | 0.0122 | ||
N-acetylaspartate (NAA) | HMDB00812 | −2.38 | < 0.001 | 0.0001 | ||
asparagine | HMDB00168 | −1.47 | 0.0557 | 0.0509 | ||
Glutamate metabolism | glutamate | HMDB03339 | −1.45 | < 0.001 | 0.0000 | |
glutamine | HMDB00641 | 1.06 | 0.0982 | 0.0775 | ||
gamma-aminobutyrate (GABA) | HMDB00112 | −1.33 | 0.0650 | 0.0577 | ||
N-acetylglutamate | HMDB01138 | −1.33 | 0.0220 | 0.0264 | ||
N-acetyl-aspartyl-glutamate (NAAG) | HMDB01067 | −1.79 | < 0.001 | 0.0000 | ||
Lysine metabolism | 2-aminoadipate | HMDB00510 | 1.38 | 0.0040 | 0.0059 | |
N6-acetyllysine | HMDB00206 | 1.47 | 0.0014 | 0.0025 | ||
Phenylalanine & tyrosine metabolism | tyrosine | HMDB00158 | 1.15 | 0.0581 | 0.0525 | |
Valine, leucine and isoleucine metabolism | isoleucine | HMDB00172 | 1.40 | < 0.001 | 0.0005 | |
leucine | HMDB00687 | 1.45 | < 0.001 | 0.0013 | ||
valine | HMDB00883 | 1.40 | 0.0036 | 0.0054 | ||
Cysteine, methionine, SAM, taurine metabolism | taurine | HMDB00251 | 1.52 | 0.0012 | 0.0023 | |
S-adenosylhomocysteine | HMDB00939 | −1.43 | 0.0012 | 0.0023 | ||
methionine | HMDB00696 | 1.18 | 0.0260 | 0.0301 | ||
N-acetylmethionine | HMDB11745 | 2.53 | < 0.001 | 0.0000 | ||
2-hydroxybutyrate | HMDB00008 | 1.65 | < 0.001 | 0.0001 | ||
Urea cycle; arginine-, proline-, metabolism | citrulline | HMDB00904 | 1.55 | 0.0158 | 0.0206 | |
trans-4-hydroxyproline | HMDB00725 | 2.05 | < 0.001 | 0.0002 | ||
Creatine metabolism | creatine | HMDB00064 | −1.16 | 0.0314 | 0.0332 | |
Butanoate metabolism | 2-aminobutyrate | HMDB00650 | 1.72 | 0.0035 | 0.0054 | |
Glutathione metabolism | glutathione, oxidized (GSSG) | HMDB03337 | 3.19 | < 0.001 | 0.0003 | |
cysteine-glutathione disulfide | HMDB00656 | 2.27 | < 0.001 | 0.0003 | ||
Carbohydrate | Fructose, mannose, galactose, starch, and sucrose metabolism | maltose | HMDB00163 | 1.61 | 0.0062 | 0.0086 |
mannose | HMDB00169 | 2.77 | < 0.001 | 0.0003 | ||
mannose-6-phosphate | HMDB01078 | 2.57 | < 0.001 | 0.0012 | ||
Glycolysis, gluconeogenesis, pyruvate metabolism | glycerate | HMDB00139 | 1.37 | 0.0313 | 0.0332 | |
glucose-6-phosphate | HMDB01401 | 2.53 | < 0.001 | 0.0002 | ||
glucose | HMDB00122 | 2.73 | < 0.001 | 0.0001 | ||
fructose-6-phosphate | HMDB00124 | 2.29 | < 0.001 | 0.0003 | ||
3-phosphoglycerate | HMDB00807 | −1.35 | 0.0195 | 0.0243 | ||
1,3-dihydroxyacetone | HMDB01882 | 2.22 | < 0.001 | 0.0002 | ||
lactate | HMDB00190 | 1.23 | < 0.001 | 0.0013 | ||
Nucleotide sugars, pentose metabolism | arabitol | HMDB01851 | −1.64 | 0.0033 | 0.0054 | |
ribulose | HMDB00621, HMDB03371 |
1.40 | 0.0433 | 0.0431 | ||
arabinose | HMDB00646 | −5.26 | < 0.001 | 0.0005 | ||
Cofactors and vitamins | Ascorbate and aldarate metabolism | dehydroascorbate | HMDB01264 | 1.86 | 0.0388 | 0.0393 |
Nicotinate and nicotinamide metabolism | nicotinamide | HMDB01406 | 1.32 | 0.0292 | 0.0323 | |
nicotinamide adenine dinucleotide (NAD+) | HMDB00902 | 1.45 | < 0.001 | 0.0010 | ||
Pantothenate and CoA metabolism | pantothenate | HMDB00210 | 1.69 | < 0.001 | 0.0001 | |
phosphopantetheine | HMDB01416 | 1.12 | 0.0459 | 0.0444 | ||
coenzyme A | HMDB01423 | −2.56 | < 0.001 | 0.0000 | ||
3'-dephosphocoenzyme A | HMDB01373 | −2.78 | < 0.001 | 0.0007 | ||
Pyridoxal metabolism | pyridoxal | HMDB01545 | 2.17 | < 0.001 | 0.0001 | |
Riboflavin metabolism | flavin adenine dinucleotide (FAD) | HMDB01248 | 1.42 | 0.0036 | 0.0054 | |
riboflavin (Vitamin B2) | HMDB00244 | 1.78 | < 0.001 | 0.0001 | ||
Tocopherol metabolism | alpha-tocopherol | HMDB01893 | −1.43 | < 0.001 | 0.0000 | |
Energy | Krebs cycle | malate | HMDB00156 | 1.28 | < 0.001 | 0.0002 |
Oxidative phosphorylation | acetylphosphate | HMDB01494 | −1.28 | 0.0788 | 0.0650 | |
phosphate | HMDB01429 | −1.25 | < 0.001 | 0.0003 | ||
Lipid | Medium chain fatty acid | caproate (6:0) | HMDB00535 | 1.81 | 0.0526 | 0.0489 |
pelargonate (9:0) | HMDB00847 | −1.11 | < 0.001 | 0.0019 | ||
Long chain fatty acid | oleate (18:1n9) | HMDB00207 | −1.23 | 0.0204 | 0.0247 | |
cis-vaccenate (18:1n7) | - | −1.43 | < 0.001 | 0.0006 | ||
arachidate (20:0) | HMDB02212 | −1.18 | 0.0658 | 0.0580 | ||
eicosenoate (20:1n9 or 11) | HMDB02231 | −1.89 | 0.0016 | 0.0029 | ||
dihomo-linoleate (20:2n6) | - | −1.49 | 0.0755 | 0.0642 | ||
arachidonate (20:4n6) | HMDB01043 | −1.32 | 0.0776 | 0.0650 | ||
Fatty acid, monohydroxy | 13-HODE + 9-HODE | - | 1.93 | 0.0051 | 0.0074 | |
Fatty acid, dicarboxylate | 2-hydroxyglutarate | HMDB00606 | −1.69 | < 0.001 | 0.0001 | |
Eicosanoid | 15-hydroxyeicosatetraenoic acid | HMDB02110 | 1.89 | 0.0013 | 0.0025 | |
Endocannabinoid | oleic ethanolamide | HMDB02088 | −1.96 | < 0.001 | 0.0012 | |
palmitoyl ethanolamide | - | −2.22 | < 0.001 | 0.0006 | ||
Fatty acid metabolism (also BCAA metabolism) | propionylcarnitine | HMDB00824 | 1.42 | 0.0682 | 0.0595 | |
Carnitine metabolism | acetylcarnitine | HMDB00201 | 1.24 | 0.0648 | 0.0577 | |
myristoylcarnitine | HMDB05066 | −1.56 | 0.0791 | 0.0650 | ||
palmitoylcarnitine | HMDB00222 | −1.75 | 0.0236 | 0.0276 | ||
stearoylcarnitine | HMDB00848 | −1.47 | 0.0812 | 0.0662 | ||
oleoylcarnitine | HMDB05065 | −2.08 | 0.0078 | 0.0106 | ||
Glycerolipid metabolism | choline phosphate | HMDB01565 | −1.14 | 0.0076 | 0.0104 | |
glycerophosphoethanolamine | HMDB00114 | 1.18 | 0.0558 | 0.0509 | ||
glycerol | HMDB00131 | −1.20 | 0.0164 | 0.0212 | ||
glycerol 3-phosphate | HMDB00126 | 1.41 | 0.0514 | 0.0482 | ||
GPC | HMDB00086 | 2.09 | < 0.001 | 0.0002 | ||
Ketone bodies | 3-hydroxybutyrate | HMDB00357 | 1.50 | < 0.001 | 0.0007 | |
Lysolipid | 2-docosahexaenoyl GPE | - | −1.27 | 0.0929 | 0.0745 | |
2-palmitoyl GPC | - | −1.52 | 0.0442 | 0.0435 | ||
1-stearoyl GPC | - | −1.37 | 0.0754 | 0.0642 | ||
2-stearoyl GPC | - | −1.45 | 0.0306 | 0.0332 | ||
1-oleoyl GPC | - | −1.52 | 0.0168 | 0.0214 | ||
2-oleoyl GPC | - | −1.35 | 0.0032 | 0.0054 | ||
1-docosahexaenoyl GPC | - | −1.69 | 0.0263 | 0.0301 | ||
2-docosahexaenoyl GPC | - | −1.61 | 0.0286 | 0.0319 | ||
1-palmitoyl-GPI | - | −2.63 | 0.0015 | 0.0026 | ||
1-stearoyl-GPI | - | −2.33 | 0.0314 | 0.0332 | ||
1-arachidonoyl-GPI | - | −2.13 | 0.0011 | 0.0023 | ||
Monoacylglycerol | 1-oleoylglycerol (1-monoolein) | HMDB11567 | −2.04 | < 0.001 | 0.0003 | |
2-oleoylglycerol (2-monoolein) | - | −1.79 | 0.0049 | 0.0072 | ||
Sphingolipid | palmitoyl sphingomyelin | - | 1.60 | < 0.001 | 0.0002 | |
stearoyl sphingomyelin | HMDB01348 | −1.39 | 0.0342 | 0.0358 | ||
Mevalonate metabolism | 3-hydroxy-3-methylglutarate | HMDB00355 | −2.56 | < 0.001 | 0.0000 | |
Sterol/Steroid | cholesterol | HMDB00067 | −1.15 | 0.0011 | 0.0022 | |
7-alpha-hydroxycholesterol | HMDB01496 | 1.77 | 0.0011 | 0.0022 | ||
7-beta-hydroxycholesterol | HMDB06119 | 1.46 | 0.0034 | 0.0054 | ||
24(S)-hydroxycholesterol | HMDB01419 | −1.85 | < 0.001 | 0.0000 | ||
Nucleotide | Purine metabolism, (hypo)xanthine/inosine containing | xanthosine | HMDB00299 | 1.25 | 0.0451 | 0.0440 |
inosine | - | −1.06 | 0.0368 | 0.0378 | ||
Purine metabolism, adenine containing | adenosine | HMDB00050 | −1.96 | 0.0033 | 0.0054 | |
adenosine 2'-monophosphate (2'-AMP) | HMDB11617 | 1.74 | < 0.001 | 0.0016 | ||
adenosine 3'-monophosphate (3'-AMP) | HMDB03540 | 1.62 | 0.0035 | 0.0054 | ||
adenosine 5'-monophosphate (AMP) | HMDB00045 | −1.23 | 0.0198 | 0.0243 | ||
Purine metabolism, guanine containing | guanosine | HMDB00133 | −1.89 | < 0.001 | 0.0012 | |
Purine metabolism, urate metabolism | urate | HMDB00289 | 1.64 | < 0.001 | 0.0000 | |
Pyrimidine metabolism, cytidine containing | cytidine | HMDB00089 | 1.27 | < 0.001 | 0.0001 | |
2'-deoxycytidine | HMDB00014 | 2.49 | < 0.001 | 0.0000 | ||
uracil | HMDB00300 | 1.54 | 0.0017 | 0.0030 | ||
5,6-dihydrouracil | HMDB00076 | −1.20 | 0.0852 | 0.0689 | ||
Peptide | Dipeptide derivative | homocarnosine | HMDB00745 | −1.37 | < 0.001 | 0.0003 |
anserine | HMDB00194 | 1.83 | 0.0369 | 0.0378 | ||
gamma-glutamyl | gamma-glutamylglycine | HMDB11667 | −1.33 | 0.0197 | 0.0243 | |
gamma-glutamylmethionine | - | 1.33 | 0.0481 | 0.0460 | ||
gamma-glutamylglutamate | - | −1.43 | < 0.001 | 0.0012 | ||
gamma-glutamylglutamine | HMDB11738 | 1.28 | 0.0275 | 0.0311 | ||
gamma-glutamylphenylalanine | HMDB00594 | −1.16 | 0.0969 | 0.0771 | ||
gamma-glutamylalanine | - | 1.42 | 0.0012 | 0.0023 | ||
Xenobiotics | Benzoate metabolism | hippurate | HMDB00714 | 1.32 | 0.0514 | 0.0482 |
Chemical | glycolate (hydroxyacetate) | HMDB00115 | 1.35 | 0.0708 | 0.0612 | |
Food component/Plant | stachydrine | HMDB04827 | 1.51 | 0.0109 | 0.0144 | |
homostachydrine | HMDB04827 | 1.64 | 0.0052 | 0.0074 | ||
Sugar, sugar substitute, starch | erythritol | HMDB02994 | −1.30 | 0.0434 | 0.0431 |