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. 2021 Jun 22;8:681951. doi: 10.3389/fvets.2021.681951

Table 4.

List of significantly (p < 0.05) regulated metabolites in dog saliva after 30 days of Ascophyllum nodosum administration.

No. Metabolite Metabolic pathway KEGG ID Molecular weight p value Fold Change (FC) logFC Remarks
1 L-palmitoylcarnitine Carnitine shuttle C02990 399.6,077 <0.001 9.073 0.958
2 7-alpha-Hydroxy-3-oxo-4-cholestenoate Bile acid biosynthesis C17337 430.6,200 <0.001 817.951 2.912
3 2-(S-glutathionyl)acetyl glutathione Xenobiotics metabolism C14863 654.6,678 0.005 4.411 0.655
4 alpha-tocopherol Vitamin E metabolism; Ascorbate (Vitamin C) and aldarate metabolism C02477 430.7,061 0.004 4.402 0.644
5 N6,N6,N6-trimethyl-L-lysine Lysine metabolism C03793 188.2,673 0.004 39.033 1.591
6 2′-deoxyadenosine 5′-diphosphate Purine metabolism; Pyrimidine metabolism; Hexose metabolism C00206 411.2,017 0.030 2.529 0.403
7 Docosahexaenoic acid De novo fatty acid biosynthesis C06429 328.4,883 <0.001 2.122 0.327
8 N1-acetylspermine Aspartate and asparagine metabolism C16681 244.3,769 <0.001 18.137 1.259
9 N-carbamoyl-L-aspartate Pyrimidine metabolism C00438 176.1,274 <0.001 16.801 1.225
10 N(omega)-(ADP-D-ribosyl)-L-arginine Vitamin B3 (nicotinate and nicotinamide) metabolism C01201 715.5,014 <0.001 11.332 1.054
11 Glycochenodeoxycholate Bile acid biosynthesis C05466 449.6,233 <0.001 1.896 0.278
12 Selenomethionine Se-oxide Selenoamino acid metabolism C05708 212.1,057 0.001 1.873 0.273
13 Geranylgeranyl diphosphate Squalene and cholesterol biosynthesis C00353 450.4,432 0.008 1.636 0.214
14 20-hydroxyleukotriene E4 Leukotriene metabolism C03577 455.6,080 0.177 1.293 0.112
15 Lithocholic acid Bile acid biosynthesis C03990 376.5,726 0.030 1.289 0.110
16 3′-phosphoadenylylselenate; Selenoamino acid metabolism C05696 554.1,593 0.036 1.168 0.067
17 2′-deoxyinosine 5′-phosphate Purine metabolism C06196 332.2,066 0.188 0.629 −0.201 Negative value of logFC = lower metabolite content at T30
18 Codeine-6-glucuronide Drug metabolism - cytochrome P450 C16577 475.4,884 0.002 0.344 −0.463 Negative value of logFC = lower metabolite content at T30
19 SN38 glucuronide Drug metabolism - other enzymes C11376 568.5,287 0.003 0.030 −1.527 Negative value of logFC = lower metabolite content at T30
20 Protoporphyrinogen IX Porphyrin metabolism C01079 568.7,058 0.003 0.030 −1.527 Negative value of logFC = lower metabolite content at T30
21 5-acetylamino-6-formylamino-3-methyluracil Caffeine metabolism C16365 226.1,894 0.001 Metabolite is absent at T30
22 (9Z,11E,15Z)-(13S)-hydroperoxyoctadeca-9,11,15-trienoate Omega-3 fatty acid metabolism C04785 310.4,284 <0.001 Metabolite is absent at T30
23 Levomethadyl acetate Drug metabolism - cytochrome P450 C08012 353.4,977 <0.001 Metabolite is absent at T30
24 7-dehydrodesmosterol Squalene and cholesterol biosynthesis C05107 382.6,218 <0.001 Metabolite is absent at T30
25 (R)-4′-phosphopantothenoyl-L-cysteine Vitamin B5 - CoA biosynthesis from pantothenate C04352 402.3,578 0.004 Metabolite is absent at T30
26 Squalene Squalene and cholesterol biosynthesis C00751 410.7,180 0.001 Metabolite is absent at T30
27 Diacetylchitobiose (chitobiose) Sialic acid metabolism C01674 424.4,003 <0.001 Metabolite is absent at T30
28 6-mercaptopurine Drug metabolism - other enzymes C02380 152.1,771 <0.001 Metabolite is absent at T30
Thiopurine Urea cycle/amino group metabolism C01756 152.1,771 <0.001 Metabolite is absent at T30
29 Phenylacetylglutamine Tyrosine metabolism C04148 264.2,771 0.076 1.688 0.227
Formyl-N-acetyl-5-methoxykynurenamine Tryptophan metabolism C05642 264.2,771 0.076 1.688 0.227
30 Linoleic acid Glycerophospholipid metabolism; Di-unsaturated fatty acid beta-oxidation C01595 280.4,455 <0.001 Metabolite is absent at T30
9-cis,12-cis-octadecadienoic acid Fatty acid metabolism; Linoleate metabolism C01595 280.4,455 <0.001 Metabolite is absent at T30
Linoleic acid; Fatty acid activation; de novo fatty acid biosynthesis C01595 280.4,455 <0.001 Metabolite is absent at T30
31 9-cis-retinal Vitamin A (retinol) metabolism C02110 284.4,357 <0.001 Metabolite is absent at T30
retinal-11-cis Vitamin A (retinol) metabolism C16681 284.4,357 <0.001 Metabolite is absent at T30
32 Dehydroepiandrosterone C21-steroid hormone biosynthesis and metabolism C01227 288.4,244 <0.001 Metabolite is absent at T30
17-beta-hydroxy-4-androsten-3-one Prostaglandin formation from arachidonate C00535 288.4,244 <0.001 Metabolite is absent at T30
5beta-androstane-3,17-dione Prostaglandin formation from arachidonate C03772 288.4,244 <0.001 Metabolite is absent at T30
Dehydroepiandrosterone Androgen and estrogen biosynthesis and metabolism C01227 288.4,244 <0.001 Metabolite is absent at T30
17-beta-hydroxy-4-androsten-3-one Androgen and estrogen biosynthesis and metabolism C00535 288.4,244 <0.001 Metabolite is absent at T30
5-beta-androstane-3,17-dione Androgen and estrogen biosynthesis and metabolism C03772 288.4,244 <0.001 Metabolite is absent at T30
5-alpha-androstane-3,17-dione Androgen and estrogen biosynthesis and metabolism C00674 288.4,244 <0.001 Metabolite is absent at T30
33 (9R,10S)-(12Z)-9,10-epoxyoctadecenoic acid Linoleate metabolism C14825 296.4,449 <0.001 49.832 1.698
(12R,13S)-(9Z)-12,13-epoxyoctadecenoic acid Linoleate metabolism C14826 296.4,449 <0.001 49.832 1.698
(9Z,11E)-(13S)-13-hydroxyoctadeca-9,11-dienoic acid Linoleate metabolism C14762 296.4,449 <0.001 49.832 1.698
34 5-pregnen-3beta-ol-20-one Androgen and estrogen biosynthesis and metabolism C01953 316.4,776 <0.001 Metabolite is absent at T30
5-beta-pregnane-3,20-dione Prostaglandin formation from arachidonate C00054 316.4,776 <0.001 Metabolite is absent at T30
5-pregnen-3beta-ol-20-one Prostaglandin formation from arachidonate C01953 316.4,776 Metabolite is absent at T30
20-alpha-hydroxy-4-pregnen-3-one Prostaglandin formation from arachidonate C04042 316.4,776 <0.001 Metabolite is absent at T30
35 Sphinganine 1-phosphate Glycerophospholipid metabolism C01120 381.4,877 <0.001 Metabolite is absent at T30
Sphinganine 1-phosphate Glycosphingolipid metabolism C01120 381.4,877 <0.001 Metabolite is absent at T30
36 14-demethyllanosterol Squalene and cholesterol biosynthesis C05108 412.6,908 0.041 2.065 0.315
Isofucosterol Squalene and cholesterol biosynthesis C08821 412.6,908 0.041 2.065 0.315
7-dehydroavenasterol Squalene and cholesterol biosynthesis C15782 412.6,908 0.041 2.065 0.315
37 Adenosine 3′,5′-bisphosphate Tyrosine metabolism; Methionine and cysteine metabolism; Xenobiotics metabolism; Glycosphingolipid metabolism; Prostaglandin formation from arachidonate; Glycosphingolipid biosynthesis - ganglioseries; Keratan sulfate biosynthesis; Proteoglycan biosynthesis C00054 427.2,011 0.012 1.852 0.268
2′-deoxyguanosine 5′-diphosphate Purine metabolism; Pyrimidine metabolism; C00361 427.2,011 0.012 1.852 0.268
38 Tetrahydrofolic acid Selenoamino acid metabolism C00101 445.4,292 0.004 2.827 0.451
Tetrahydrofolate Methionine and cysteine metabolism; Urea cycle/amino group metabolism; Histidine metabolism; Glycine, serine, alanine and threonine metabolism; Vitamin B9 (folate) metabolism C00101 445.4,292 0.004 2.827 0.451
39 Uroporphyrin I Porphyrin metabolism C05767 830.7,469 <0.001 0.109 −0.962 Negative value of logFC = lower metabolite content at T30
Uroporphyrin III Porphyrin metabolism C02469 830.7,469 <0.001 49.832 1.698

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.