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Table 4 Metabolite correlations

From: Identification of urinary metabolites that correlate with clinical improvements in children with autism treated with sulforaphane from broccoli

  Primary outcome measure  
Metabolite ABC Corr. p value SRS Corr. p value Metabolic pathway
Amino acids (endogenous)
 Arginine 0.63 0.03    Amino acid
 Assymetric dimethylarginine (ADMA)    − 0.61 0.06 Arginine catabolite (endogenous inhibitor of nitric oxide synthases)
N-delta-acetylornithine    0.62 0.06 Arginine catabolite
N-acetylputrescine    − 0.65 0.04 Arginine catabolite
 4-Acetamidobutanoate    − 0.62 0.06 Arginine catabolite
 Tryptophan − 0.67 0.02    Amino acid
 Tyrosine − 0.67 0.02    Amino acid
 Theanine    0.7 0.02 a.a. deriv. from tea—of food origin
 Carnosine    0.6 0.07 a.a. deriv.; dietary; antioxidant; CNS functionality
 β-hydroxyisovalerate − 0.73 0.007    a.a. metabolism (leucine)
 α-hydroxyisocaproate − 0.66 0.02    a.a. metabolite (leucine)
 4-Methyl-2-oxopentanoate    − 0.62 0.06 a.a. metabolite (leucine)
 α-hydroxyisovalerate − 0.6 0.04    a.a. metabolism (isoleucine)
 2-Methylbutyrylcarnitine (C5)    0.6 0.07 a.a. derived (isoleucine)
 3-Hydroxyisobutyrate    − 0.72 0.02 a.a. metabolism (valine)
N-carbamoylalanine 0.73 0.01    a.a. metabolite (alanine)
N-methyltaurine    − 0.63 0.05 a.a. metabolite (cysteine)
 Taurine − 0.6 0.04    a.a. metabolite (cysteine); critical for oxidative stress
 Dimethylglycine    − 0.61 0.06 a.a. metabolite (glycine)
 1-Methylguanidine    0.7 0.02 a.a. metabolism
N-acetylhistamine 0.69 0.01    a.a. metabolite (histidine)
Amino acids (microbiome-associated or contributed)
 Tyramine O-sulfate 0.61 0.03    a.a. metabolite (tyrosine); catecholamine trigger
 3-Indoxyl sulfate 0.63 0.03    a.a. metabolite (tryptophan); likely of gut microbiome origin
 2-Oxindole-3-acetate    0.61 0.06 a.a. metabolite (tryptophan); likely of gut microbiome origin
 Indolin-2-one 0.61 0.03    a.a. metabolite (tryptophan); likely of gut microbiome origin
 Phenyllactate (PLA)    − 0.61 0.06 a.a. metabolite (phenylalanine), contribution from gut microbiome
 Phenylacetylglutamine 0.65 0.02    a.a. metabolite (glutamine); likely of gut microbiome origin
 Tryptophan betaine    − 0.69 0.03 a.a. (contribution from microbiome)
N-acetyl-cadaverine 0.65 0.02    a.a. degradation product (lysine); likely of gut microbiome origin
Benzene metabolism
 Hydroquinone sulfate    − 0.66 0.04 Benzene metabolite; likely of exogenous origin
Caffeic acid derivatives
 Chlorogenate    0.61 0.06 Caffeic acid deriv.; dietary/food additive
Cholesterol metabolism
 Cholesterol − 0.75 0.005    Cholesterol
 Cholate    − 0.73 0.02 Cholesterol (bile acid)
 12-Dehydrocholate    − 0.69 0.03 Cholesterol (bile acid), microbiome origin
 7-Ketodeoxycholate    − 0.6 0.07 Cholesterol (bile acid), microbiome origin
 Glycocholenate sulfate − 0.86 < 0.001    Cholesterol (bile acid), microbiome origin
 Cortisone − 0.8 0.002    Cholesterol (hormone)
 Cortisol 21-glucuronide − 0.73 0.008    Cholesterol (hormone)
 Epiandrosterone glucuronide − 0.68 0.01    Cholesterol (hormone)
 17α-hydroxypregnanolone glucuronide − 0.61 0.03    Cholesterol (hormone)
 5α-androstan-3β,17α-diol disulfate − 0.61 0.04    Cholesterol (hormone)
 Pregnen-diol disulfate    − 0.82 0.004 Cholesterol (hormone)
 Dehydroepiandrosterone glucuronide    − 0.78 0.008 Cholesterol (hormone)
 11-Ketoetiocholanolone sulfate    − 0.76 0.01 Cholesterol (hormone)
 5α-pregnan-3β,20α-diol disulfate    − 0.69 0.03 Cholesterol (hormone)
 5α-pregnan-3(α/β),20β-diol disulfate    − 0.68 0.03 Cholesterol (hormone)
 21-Hydroxypregnenolone disulfate    − 0.65 0.04 Cholesterol (hormone)
 3α,21-dihydroxy-5β-pregnane-11,20-dione 21-glucuronide    − 0.61 0.06 Cholesterol (hormone)
 Androstenediol 3β 17β d0    − 0.6 0.07 Cholesterol (hormone)
Fatty acids
 Diglycerol 0.66 0.02    Lipid, likely of exogenous origin
 Pimelate (heptanedioate) 0.61 0.03 0.61 0.06 Dicarboxylate fatty acid (DFA)
 Suberate (octanedioate)    0.75 0.01 Dicarboxylate fatty acid (DFA)
 Azeloylcarnitine (C9-DC) 0.66 0.02    Acylcarnitine-conjugated DFA
Microbial polycyclic aromatic hydrocarbon (PAH) degradation
 Gentisate (2,5-diOH-benzoate)    0.69 0.03 Key intermediate in microbial PAH degradation
 4-Hydroxybenzoate − 0.63 0.03    Gut microbiome/amino acid
 3-Ethylphenylsulfate − 0.63 0.03    Gut microbiome/amino acid
Monoterpene phenol
 Thymol sulfate 0.62 0.03    Monoterpene phenol of food origin
Neurotransmitters
N-methylglutamate    0.65 0.04 Neurotransmitter
 Glutamine − 0.77 0.003    Neurotransmitter
 Homovanillate (HVA) − 0.62 0.03 − 0.65 0.04 Neurotransmitter
 Hypoxanthine − 0.62 0.03 − 0.64 0.05 Neurotransmitter
 Serotonin −0.61 0.03    Neurotransmitter
Oxidative stress
 γ-glutamylglutamine − 0.63 0.03    Oxidative stress
 Methionine sulfone − 0.62 0.03    Oxidative stress
Polyol
 3-Carboxy-4-methyl-5-propyl-2-furanpropanoate (CMPF)    − 0.78 0.008 Polyol associated with uremia
Sphingomyelin
 Palmitoyl sphingomyelin (d18:1/16:0) − 0.69 0.01    Sphingomyelin
 Stearoyl sphingomyelin (d18:1/18:0) − 0.77 0.004    Sphingomyelin
 Lignoceroyl sphingomyelin (d18:1/24:0) − 0.74 0.006    Sphingomyelin
 Behenoyl sphingomyelin (d18:1/22:0) − 0.74 0.006    Sphingomyelin
 Sphingomyelin (d18:1/20:1, d18:2/20:0) − 0.76 0.004    Sphingomyelin
 Sphingomyelin (d18:1/14:0, d16:1/16:0) − 0.75 0.005    Sphingomyelin
 Sphingomyelin (d18:1/20:0, d16:1/22:0) − 0.74 0.006    Sphingomyelin
Sugars
 Arabinose    − 0.7 0.02 Sugar frequently associated with intestinal Candida overgrowth
TCA cycle
 Malate − 0.65 0.02    TCA cycle intermediate
Other
 Gentisic acid-5-glucoside    0.65 0.04 Xenobiotic (chemical)
 Erythritol    − 0.83 0.003 Xenobiotic (diet-derived)
 1-Palmitoyl-2-oleoyl-GPE (16:0/18:1) − 0.72 0.008    Phospholipid
  1. a.a amino acid, PAH polycyclic aromatic hydrocarbon