Name of metabolites | Compound ID | Molecular Formula | Compound type | SAM (d.value) | RF (Mean Decrease Accuracy) | PLS-DA **(VIP score) |
L-Proline | C00148 | C5H9NO2 | Amino acid | 3.034 | 0.0180 | 1.369 |
L-Tryptophan | C00078 | C11H12N2O2 | Amino acid | 2.745 | 0.0024 | 1.284 |
L-Aspartate | C00049 | C4H7NO4 | Amino acid | −2.017 | 0.0016 | 1.099 |
L-Serine | C00065 | C3H7NO3 | Amino acid | −1.978 | 0.0012 | 1.078 |
L-Threonine | C00188 | C4H9NO3 | Amino acid | −1.965 | 0.0023 | 1.091 |
4-Aminobutanoate (GABA) | C00334 | C4H9NO2 | Amino acid | −2.184 | 0.0045 | 1.151 |
L-Carnitine | C00318 | C7H15NO3 | Amino acid derivative | −2.609 | 0.0051 | 1.336 |
Clithioneine | UNPD 118571 | C13H22N4O5S | Amino acid derivative | −2.037 | 0.0019 | 1.136 |
D-(+)-Trehalose | C01083 | C12H22O11 | Sugar | −2.827 | 0.0053 | 1.376 |
Sucrose | C00089 | C12H22O11 | Sugar | −2.573 | 0.0028 | 1.268 |
D-Threo-L-galacto-octose | 16019992* | C8H16O8 | Sugar | −2.513 | 0.0065 | 1.299 |
D-(-)-Arabinose | C00216 | C5H10O5 | Sugar | −2.188 | 0.0066 | 1.202 |
D-(+)-Raffinose | C00492 | C18H32O16 | Sugar | −2.071 | - | 1.103 |
N-Acetyl-D-Fucosamine | C15480 | C8H15NO5 | Sugar | −1.892 | 0.0027 | 1.053 |
6-(α-D-glucosaminyl)-1D- myo-inositol, (GlcN)1 (Ino)1 | C15658 | C12H23NO10 | Sugar alcohol | −2.775 | 0.0033 | 1.331 |
Bis-D-fructose 2',1:2,1' -dianhydride | C04333 | C12H20O10 | Sugar dianhydride | −2.720 | 0.0064 | 1.313 |
D-xylonate | C00502 | C5H10O6 | Sugar acid | −3.090 | 0.0204 | 1.469 |
alpha-Methylene gamma -butyrolactone | 68352* | C5H6O2 | Sugar acid | −2.114 | - | 1.120 |
Spermidine | C00315 | C7H19N3 | Amine | −2.106 | 0.0078 | 1.130 |
Palmitoleic acid | C08362 | C16H30O2 | Fatty acid | −1.949 | 0.0015 | 1.062 |
N-Acetyl-DL-glutamic acid | C00624 | C7H11NO5 | Organic acid | −3.467 | 0.0267 | 1.568 |
Guanidinoproclavaminic acid | C06657 | C9H16N4O4 | Organic acid | −2.892 | 0.0064 | 1.395 |
Gluconic acid | C00257 | C6H12O7 | Organic acid | −3.163 | 0.0092 | 1.468 |
Cerheptaric acid | UNPD64017 | C7H12O8 | Organic acid | −2.576 | 0.0029 | 1.292 |
Pipecolate | C00408 | C6H11NO2 | Organic acid | 2.442 | - | 1.121 |
Lactobionic acid | 7314* | C12H22O12 | Organic acid | −2.228 | 0.0029 | 1.203 |