Table 2.
No. | Metabolite | Metabolic pathway | KEGG ID | Molecular weight | p-value | Fold Change (FC) | logFC | Remarks |
---|---|---|---|---|---|---|---|---|
1 | (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoic acid | De novo fatty acid biosynthesis | C06429 | 328.4,880 | 0.014 | 57.703 | 1.761 | |
2 | N(omega)-(ADP-D-ribosyl)-L-arginine | Vitamin B3 (nicotinate and nicotinamide) metabolism | C01201 | 715.5,014 | <0.001 | 3.714 | 0.570 | |
3 | 1-(1-alkenyl)-sn-glycero-3-phosphate | Glycerophospholipid metabolism | C15646 | 197.1,030 | 0.001 | 3.603 | 0.557 | |
4 | S-succinyldihydrolipoamide | TCA cycle | C01169 | 307.4,294 | 0.031 | 298.063 | 2.474 | |
5 | 7-methyluric acid | Caffeine metabolism | C16355 | 182.1,368 | <0.001 | 2.777 | 0.444 | |
6 | 1-methyluric acid | Caffeine metabolism | C16359 | 474.6,511 | <0.001 | 2.777 | 0.444 | |
7 | (9E)-octadecenoic acid | Fatty acid activation | C01712 | 282.2,559 | 0.001 | 2.037 | 0.309 | |
8 | (9Z)-octadecenoic acid | De novo fatty acid biosynthesis | C00712 | 282.4,614 | 0.001 | 2.037 | 0.309 | |
9 | Hypoxanthine | Purine metabolism | C00262 | 136.1,115 | 0.034 | 2.028 | 0.307 | |
10 | (5Z,8Z,11Z,14Z,17Z)-eicosapentaenoic acid | De novo fatty acid biosynthesis | C06428 | 302.4,510 | <0.001 | 1.594 | 0.202 | |
11 | Homovanillic acid | Tyrosine metabolism | C05582 | 182.1,733 | 0.005 | 1.543 | 0.188 | |
12 | 16-glucuronide-estriol | Androgen and estrogen biosynthesis and metabolism | C05504 | 464.5,055 | 0.005 | 1.543 | 0.188 | |
13 | L-fucose 1-phosphate | Fructose and mannose metabolism | C02985 | 244.1,364 | 0.316 | 1.541 | 0.188 | |
14 | Pregnanolone | C21-steroid hormone biosynthesis and metabolism | C05480 | 318.4,935 | 0.316 | 1.541 | 0.188 | |
15 | 1,2-naphthoquinone | Xenobiotics metabolism | C14783 | 158.1,534 | 0.006 | 1.457 | 0.163 | |
16 | 11-cis-retinal | Vitamin A (retinol) metabolism | C02110 | 284.4,357 | 0.006 | 1.457 | 0.163 | |
17 | N6,N6,N6-trimethyl-L-lysine | Lysine metabolism | C03793 | 188.2,673 | 0.006 | 1.457 | 0.163 | |
18 | Leukotriene E4 | Leukotriene metabolism | C05952 | 439.6,086 | 0.006 | 1.457 | 0.163 | |
19 | 1-(5′-phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole | Purine metabolism | C04823 | 454.2,833 | 0.006 | 1.457 | 0.163 | |
20 | Hydroxytamoxifen | Drug metabolism - cytochrome P450 | C05011 | 387.5,140 | 0.006 | 1.457 | 0.163 | |
21 | Phenylacetic acid | Tyrosine metabolism | C07086 | 136.1,479 | 0.004 | 1.445 | 0.160 | |
22 | Sterol | Glycerophospholipid metabolism | C00370 | 248.4,036 | 0.193 | 0.838 | −0.077 | Negative value of logFC = lower metabolite content at T30 |
23 | (2R,3S)-2,3,4-trihydroxybutanoic acid | Ascorbate (vitamin C) and aldarate metabolism | C01620 | 136.1,033 | 0.001 | 0.480 | −0.318 | Negative value of logFC = lower metabolite content at T30 |
24 | Sterol | C21-steroid hormone biosynthesis and metabolism | C00370 | 284.4,036 | 0.001 | 0.408 | −0.389 | Negative value of logFC = lower metabolite content at T30 |
25 | Lidocaine | Drug metabolism - cytochrome P450 | C07073 | 234.3,373 | <0.001 | 0.120 | −0.922 | Negative value of logFC = lower metabolite content at T30 |
26 | Dechloroethylcyclo-phosphamide | Drug metabolism - cytochrome P450 | C16550 | 198.5,877 | <0.001 | 0.058 | −1.237 | Negative value of logFC = lower metabolite content at T30 |
27 | 6-mercaptopurine | Drug metabolism - other enzymes | C02380 | 152.1,771 | <0.001 | 0.020 | −1.695 | Negative value of logFC = lower metabolite content at T30 |
28 | Retinyl ester | Vitamin A (retinol) metabolism | C02075 | 313.4,538 | <0.001 | Metabolite is absent at T30 | ||
29 | 11beta-hydroxyprogesterone | C21-steroid hormone biosynthesis and metabolism | C05498 | 330.4,611 | 0.014 | Metabolite is absent at T30 | ||
30 | 16(R)-HETE | Arachidonic acid metabolism | C14778 | 320.4,663 | 0.006 | 1.457 | 0.163 | |
11,12-EET | Arachidonic acid metabolism | C14770 | 320.4,663 | 0.004 | 1.445 | 0.160 | ||
14,15-EET | Arachidonic acid metabolism | C14771 | 320.4,663 | 0.004 | 1.445 | 0.160 | ||
19(S)-HETE | Arachidonic acid metabolism | C14749 | 320.4,663 | 0.004 | 1.445 | 0.160 | ||
20-HETE | Arachidonic acid metabolism | C14748 | 320.4,663 | 0.004 | 1.445 | 0.160 | ||
20-hydroxy arachidonic acid | Glycerophospholipid metabolism | C14748 | 320.4,663 | 0.004 | 1.445 | 0.160 | ||
5,6-EET | Arachidonic acid metabolism | C14768 | 320.4,663 | 0.004 | 1.445 | 0.160 | ||
8,9-EET | Arachidonic acid metabolism | C14769 | 320.4,663 | 0.004 | 1.445 | 0.160 | ||
31 | 17alpha-hydroxyprogesterone | C21-steroid hormone biosynthesis and metabolism | C01176 | 330.4,611 | 0.316 | 1.541 | 0.188 | |
11-deoxycorticosterone; | C21-steroid hormone biosynthesis and metabolism | C03205 | 330.4,611 | <0.001 | 0.120 | −0.922 | Negative value of logFC = lower metabolite content at T30 | |
32 | 5(S)-HETE | Arachidonic acid metabolism | C04805 | 336.4,657 | <0.001 | 10.476 | 1.020 | |
5(S)-HPETE | Leukotriene metabolism | C05356 | 336.4,657 | 0.006 | 1.457 | 0.163 | ||
Leukotriene B4 | Leukotriene metabolism | C02165 | 336.4,657 | 0.006 | 1.457 | 0.163 | ||
Prostaglandin A1 | Prostaglandin formation from arachidonate | C04685 | 336.4,657 | 0.006 | 1.457 | 0.163 | ||
Prostaglandin B1 | Prostaglandin formation from arachidonate | C00959 | 336.4,657 | 0.006 | 1.457 | 0.163 | ||
15(S)-HETE | Arachidonic acid metabolism | C05966 | 336.4,657 | 0.004 | 1.445 | 0.160 | ||
Prostaglandin C1 | Prostaglandin formation from arachidonate | C04686 | 336.4,657 | 0.004 | 1.445 | 0.160 | ||
15H-11,12-EETA; | Arachidonic acid metabolism | C14781 | 336.4,657 | <0.001 | 0.020 | −1.695 | Negative value of logFC = lower metabolite content at T30 |
The identification of metabolites was carried out on the basis of the ChemSpider database (access via PeakView™) indications above 80% probability of confirming a given structure so the table contains also the names of isomers or molecules with the same molecular weight with the same p-values and FC.