Table 2.

Metabolites associated with intervention from linear model (named/annotated representative features only)

Biochemical name	Super pathway	Sub-pathway	Source	β	Lower 95% CI	Upper 95% CI	Holm-corrected p value
Erythronatea	Carbohydrate	Aminosugar metabolism	Metabolon	−0.82	−0.99	−0.65	2.84×10−15
N-Lactoyl isoleucine	Amino acid	Leucine, isoleucine and valine metabolism	Metabolon	−0.87	−1.08	−0.66	5.96×10−11
1-(1-Enyl-palmitoyl)−2-oleoyl-GPC (P−16:0/18:1)a	Lipid	Plasmalogen	Metabolon	0.59	0.43	0.74	2.28×10−9
β-Alanine	Nucleotide	Pyrimidine metabolism, uracil containing	Metabolon	−0.68	−0.87	−0.49	9.86×10−9
Glucose	Carbohydrate	Glycolysis, gluconeogenesis and pyruvate metabolism	Metabolon	−0.75	−0.95	−0.54	2.13×10−8
1-Stearoyl−2-oleoyl-GPE (18:0/18:1)	Lipid	Phosphatidylethanolamine	Metabolon	−0.67	−0.86	−0.48	3.26×10−8
Glycosyl ceramide (d18:2/24:1, d18:1/24:2)a	Lipid	Hexosylceramides	Metabolon	0.64	0.46	0.82	5.16×10−8
Hydroxy-CMPFa	Lipid	Fatty acid, dicarboxylate	Metabolon	0.35	0.24	0.45	2.60×10−7
Sphingomyelin (d18:1/22:2, d18:2/22:1, d16:1/24:2)a	Lipid	Sphingomyelins	Metabolon	0.54	0.38	0.70	3.59×10−7
Isoleucine	Amino Acid	NA	Nightingale	−0.62	−0.82	−0.41	2.66×10−6
Betaine	Amino Acid	Glycine, serine and threonine metabolism	Metabolon	0.52	0.35	0.68	4.36×10−6
4-Ethylphenylsulfate	Xenobiotics	Benzoate metabolism	Metabolon	0.65	0.43	0.86	1.07×10−5
Alanine	Amino Acid	Alanine and aspartate metabolism	Metabolon	−0.63	−0.83	−0.42	1.14×10−5
Palmitoylcholine	Lipid	Fatty acid metabolism (acyl choline)	Metabolon	0.66	0.43	0.88	2.94×10−5
6-Bromotryptophan	Amino Acid	Tryptophan metabolism	Metabolon	0.57	0.37	0.77	6.49×10−5
3β,7α-Dihydroxy−5-cholestenoate	Lipid	Sterol	Metabolon	−0.41	−0.55	−0.26	1.12×10−4
4-Hydroxychlorothalonil	Xenobiotics	Chemical	Metabolon	0.36	0.23	0.50	2.84×10−4
Palmitoyl sphingomyelin (d18:1/16:0)	Lipid	Sphingomyelins	Metabolon	0.49	0.30	0.67	3.35×10−4
Cholesterol esters to total lipids ratio in medium VLDL	NMR ratio/percentage	NA	Nightingale	0.49	0.29	0.69	4.76×10−4
N-Acetylmethionine	Amino acid	Methionine, cysteine, SAM and taurine metabolism	Metabolon	0.51	0.31	0.71	7.35×10−4
Bilirubin (Z,Z)	Cofactors and vitamins	Haemoglobin and porphyrin metabolism	Metabolon	0.48	0.29	0.67	7.98×10−4
Arachidonoylcarnitine (C20:4)	Lipid	Fatty acid metabolism (acyl carnitine)	Metabolon	0.46	0.28	0.64	9.66×10−4
Tryptophan betaine	Amino acid	Tryptophan metabolism	Metabolon	0.49	0.29	0.68	1.70×10−3
3-Methyl−2-oxovalerate	Amino acid	Leucine, isoleucine and valine metabolism	Metabolon	−0.47	−0.66	−0.28	1.91×10−3
TGs in small HDL	Lipid	NA	Nightingale	−0.43	−0.62	−0.24	2.18×10−3
1-Arachidonoyl-GPC (20:4n6)a	Lipid	Lysophospholipid	Metabolon	0.46	0.27	0.64	2.22×10−3
Total cholesterol in very large HDL	Lipid	NA	Nightingale	0.39	0.22	0.56	2.46×10−3
α-Hydroxycaproate	Lipid	Fatty acid, monohydroxy	Metabolon	−0.62	−0.87	−0.37	2.47×10−3
Sphingomyelin (d17:1/14:0, d16:1/15:0)a	Lipid	Sphingomyelins	Metabolon	0.38	0.23	0.54	2.57×10−3
1-Stearoyl-GPC (18:0)	Lipid	Lysophospholipid	Metabolon	0.50	0.30	0.71	2.70×10−3
Total cholesterol to total lipids ratio in small LDL	NMR ratio/percentage	NA	Nightingale	0.44	0.24	0.63	4.08×10−3
3-Hydroxyoctanoate	Lipid	Fatty acid, monohydroxy	Metabolon	−0.52	−0.73	−0.30	5.14×10−3
Non-esterified cholesterol in small HDL	Lipid	NA	Nightingale	−0.40	−0.59	−0.22	5.24×10−3
Carnitine	Lipid	Carnitine metabolism	Metabolon	0.40	0.23	0.57	5.67×10−3
2-Docosahexaenoylglycerol (22:6)a	Lipid	Monoacylglycerol	Metabolon	0.55	0.32	0.79	6.05×10−3
γ-Glutamylglutamine	Peptide	γ-Glutamyl amino acid	Metabolon	0.45	0.25	0.64	8.94×10−3
Histidine	Amino acid	Histidine metabolism	Metabolon	0.50	0.28	0.72	1.07×10−2
Ornithine	Amino acid	Urea cycle; arginine and proline metabolism	Metabolon	0.45	0.25	0.65	1.24×10−2
2-Hydroxybutyrate/2-hydroxyisobutyrate	Amino acid	Glutathione metabolism	Metabolon	−0.49	−0.70	−0.27	1.40×10−2
1-Palmitoyl−2-arachidonoyl-GPE (16:0/20:4)a	Lipid	Phosphatidylethanolamine	Metabolon	−0.40	−0.58	−0.22	1.45×10−2
Glycerol	Lipid	NA	Nightingale	−0.48	−0.71	−0.24	1.57×10−2
n−3 Fatty acids	Lipid	NA	Nightingale	0.34	0.17	0.50	1.71×10−2
Aconitate (cis or trans)	Energy	TCA cycle	Metabolon	−0.45	−0.65	−0.25	2.01×10−2
5-Methylthioadenosine	Amino acid	Polyamine metabolism	Metabolon	−0.48	−0.69	−0.26	2.06×10−2
5α-Androstan−3β,17β-diol monosulfate (2)	Lipid	Androgenic steroids	Metabolon	−0.38	−0.55	−0.21	2.48×10−2
Cholesteryl esters in large HDL	Lipid	NA	Nightingale	0.32	0.16	0.49	2.52×10−2
Glycoprotein acetyls, mainly a1-acid glycoprotein	Peptide	NA	Nightingale	−0.32	−0.49	−0.16	2.57×10−2
Taurine	Amino acid	Methionine, cysteine, SAM and taurine metabolism	Metabolon	0.45	0.24	0.66	2.83×10−2
Glycine	Amino acid	Glycine, serine and threonine metabolism	Metabolon	0.40	0.22	0.59	3.07×10−2
Oxalate (ethanedioate)	Cofactors and vitamins	Ascorbate and aldarate metabolism	Metabolon	0.40	0.21	0.58	4.69×10−2

Effect estimates (β) shown for the fixed effect ‘allocation’ where control group is considered the reference group with effect estimates, therefore representing the difference seen in the intervention group relative to the control group (in normalised SD units). For additional metadata see ESM Tables 2, 3, 6

^aCompound has not been confirmed based on a standard

CMPF, 3-carboxy-4-methyl-5-propyl-2-furanpropanoic acid; GPC, glycerophosphocholine; GPE, glycerophosphoethanolamine; NA, not applicable; SAM, S-adenosylmethionine