TABLE 3.
Metabolites that consistently differed within-individual between an ultraprocessed and unprocessed dietary pattern in both plasma and 24-h urine across all time points
| Super pathway | Sub pathway | Metabolite | MSI metabolite identification level3 |
|---|---|---|---|
| Amino acid | |||
| Glutamate metabolism | 4-Hydroxy-L-glutamic acid1 | 1 | |
| Histidine metabolism | 3-Methylhistidine | 1 | |
| Histidine metabolism | Imidazoleacetic acid riboside | 2 | |
| Leucine, isoleucine and valine metabolism | 2,3-Dihydroxy-2-methylbutyrate | 1 | |
| Methionine, cysteine, SAM, and taurine metabolism | Cysteine-S-sulfate | 1 | |
| Methionine, cysteine, SAM, and taurine metabolism | N-Methyltaurine1 | 1 | |
| Methionine, cysteine, SAM, and taurine metabolism | S-Methylmethionine1 | 1 | |
| Polyamine metabolism | N-(3-Acetamidopropyl)pyrrolidin-2-one1 | 1 | |
| Polyamine metabolism | N1-Acetylspermidine | 1 | |
| Polyamine metabolism | N-Acetyl-isoputreanine | 1 | |
| Tryptophan metabolism | Indoxyl sulfate | 1 | |
| Tyrosine metabolism | Gentisic acid | 1 | |
| Urea cycle; arginine and proline metabolism | Homocitrulline | 1 | |
| CHO | |||
| Advanced glycation end-product | N6-carboxymethyllysine | 1 | |
| Glycolysis, gluconeogenesis, and pyruvate metabolism | Glyceric acid | 1 | |
| Cofactors and vitamins | |||
| Ascorbate and aldarate metabolism | Ascorbic acid-3-sulfate | 2 | |
| Ascorbate and aldarate metabolism | Ascorbic acid-2-sulfate | 1 | |
| Ascorbate and aldarate metabolism | L-threonic Acid | 1 | |
| Ascorbate and aldarate metabolism | Oxalic acid1 | 1 | |
| Tocopherol metabolism | Gamma-CEHC | 1 | |
| Vitamin B6 metabolism | 4-Pyridoxic acid | 1 | |
| Lipid | |||
| FA metabolism (acyl glutamine) | Hexanoylglutamine | 1 | |
| FA, amino | DL-2-Aminooctanoic acid | 1 | |
| FA, amino | N-Acetylaminooctanoic acid1 | 2 | |
| FA, dicarboxylate | 3-Methyladipic acid1 | 1 | |
| FA, dicarboxylate | Pimelic acid1 | 1 | |
| Inositol metabolism | Myo-inositol | 1 | |
| Phospholipid metabolism | Trimethylamine N-oxide (TMAO)1 | 1 | |
| Secondary bile acid metabolism | Sulfolithocholylglycine1 | 2 | |
| Secondary bile acid metabolism | Taurolithocholic acid 3-sulfate1 | 1 | |
| Partially characterized molecules | |||
| Partially characterized molecules | Pentoic acid | 3 | |
| Peptide | |||
| Acetylated peptides | 4-Hydroxyphenylacetylglutamine | 1 | |
| Xenobiotics | |||
| Benzoate metabolism | 2-Methoxyhydroquinone sulfate (1)1, 2 | 1 | |
| Benzoate metabolism | 3-Hydroxyhippuric acid1 | 1 | |
| Benzoate metabolism | 4-Allylcatechol sulfate | 1 | |
| Benzoate metabolism | 4-Ethylphenylsulfate1 | 1 | |
| Benzoate metabolism | 4-Vinylphenol sulfate1 | 1 | |
| Benzoate metabolism | Pyrocatechol sulfate | 1 | |
| Chemical | 2-Methoxyresorcinol sulfate | 1 | |
| Chemical | Pyrogallol-1-O-sulfate | 1 | |
| Drug - topical agents | 2,6-Dihydroxybenzoic acid | 1 | |
| Food component/plant | 4-Vinylguaiacol sulfate | 1 | |
| Food component/plant | 2-Acetamidophenol sulfate | 1 | |
| Food component/plant | 2-Aminophenol sulfate | 1 | |
| Food component/plant | 3-Carboxy-2,3-dihydroxypropanoate (tartarate)1 | 1 | |
| Food component/plant | 4-Allylphenol sulfate | 1 | |
| Food component/plant | Acesulfame1 | 1 | |
| Food component/plant | Cinnamoylglycine1 | 1 | |
| Food component/plant | Ethyl beta-D-glucopyranoside | 1 | |
| Food component/plant | Hydroxypropanedioic acid1 | 1 | |
| Food component/plant | Maltol sulfate | 1 | |
| Food component/plant | Methyl vanillate sulfate | 1 | |
| Food component/plant | N-Acetylalliin1 | 1 | |
| Food component/plant | Piperine | 1 | |
| Food component/plant | S-Allylcysteine1 | 1 | |
| Food component/plant | Sulfate of piperine metabolite C16H19NO3 (2)2 | 3 | |
| Food component/plant | Sulfate of piperine metabolite C16H19NO3 (3)2 | 3 | |
| Food component/plant | Sulfate of piperine metabolite C18H21NO3 (1)2 | 3 | |
| Food component/plant | Sulfate of piperine metabolite C18H21NO3 (3)2 | 3 | |
The 79 metabolites listed here differed within-individual (n = 20 participants) between UPF-DP and UN-DP at week 2 for plasma as well as week 1 and week 2 for 24-h urine. Mean differences in metabolites were estimated via a linear mixed model adjusted for diet, phase, sequence, time point for urine only, and calculated EI during the week prior to sample collection with subject-specific random intercepts. P values were Benjamini-Hochberg corrected for multiple comparisons. Super pathway (ie, general biochemical class) and sub pathway names were assigned via the Metabolon, Inc. discovery platform.
CEHC, gamma-carboxyethyl hydroxychroman; CHO, carbohydrate; EI, energy intake; FA, fatty acid; MSI, metabolomics standards initiative; SAM, S-adenosyl methionine; UN-DP, unprocessed dietary pattern; UPF-DP, ultraprocessed dietary pattern.
21 metabolites also differed within-indiviudal between UPF-DP and UN-DP at week 1 and week 2 for spot urine.
A (#) is assigned by Metabolon and indicates a compound that is a structural isomer of another compound in the Metabolon spectral library. For example, a steroid that may be sulfated at one of several positions that are indistinguishable by the mass spectrometry data or a diacylglycerol for which more than one stereospecific molecule exists.
MSI level 1 are identified compounds, level 2 are putatively annotated compounds, level 3 are putatively characterized compound classes, and level 4 are unknown [42].