| Discovery | Validation | ||
---|---|---|---|---|
Metabolite | P-value | Ratio (diabetic/non-diabetic) | P-value | Ratio (diabetic/non-diabetic) |
Amino acids and related metabolites | Â | Â | Â | Â |
   Isovalerylalanine AND/OR isovalerylsarcosine | 0.00049 | 8.20 | 0.00016 | 2.85 |
   5-Methoxytryptophan | 0.00113 | 7.74 | 0.00038 | 2.13 |
   N-[O-Phosphono-pyridoxyl]-isoleucine | 0.00150 | 2.46 | 0.00115 | 3.30 |
   Isoleucine AND/OR leucine AND/OR norleucine AND/OR N-methylvaline | 0.00035 | 2.39 | 0.00067 | 1.51 |
   Arginine | 0.02434 | 0.67 | 0.00016 | 0.54 |
   Beta-cyclohexyl-alanine | 0.00411 | 0.66 | 0.00320 | 0.81 |
   Proline | 0.00708 | 0.65 | 0.00320 | 0.77 |
   2-Methylserine AND/OR homoserine AND/OR allothreonine | 0.00932 | 0.51 | 0.00024 | 0.41 |
   Oxoproline | 0.03347 | 0.45 | 0.00038 | 0.50 |
   Tryptophan | 0.00035 | 0.42 | 0.00016 | 0.44 |
Bile acids | Â | Â | Â | Â |
   24-Nor-5beta-cholane-3alpha,7alpha,12alpha,22,23-pentol | 0.00127 | 2.84 | 0.00016 | 2.10 |
   24-Nor-5beta-chol-22-ene-3alpha,7alpha,12alpha-triol AND/OR (22R)-3alpha,7alpha,22-Trihydroxy-5beta-cholan-24-oic acid | 0.02092 | 2.14 | 0.04937 | 1.71 |
   (22E)-3alpha,6beta,7beta-trihydroxy-5beta-chol-22-en-24-oic acid AND/OR 3,7-dihydroxy-12-oxocholanoic acid | 0.03877 | 1.94 | 0.03376 | 3.09 |
   (22R)-3alpha,7alpha,22-trihydroxy-5beta-cholan-24-oic acid | 0.03051 | 1.66 | 0.02334 | 1.92 |
   (22E)-12alpha-hydroxy-3-oxochola-1,4,22-trien-24-oic acid AND/OR 12alpha-hydroxy-3-oxochola-1,4,6-trien-24-oic acid | 0.00067 | 0.85 | 0.00150 | 0.88 |
Dipeptides | Â | Â | Â | Â |
   Gamma-glutamyl-L-isoleucine AND/OR gamma-glutamyl-L-leucine | 0.00035 | 3.79 | 0.00016 | 1.79 |
   (5-L-Glutamyl)-L-glutamine | 0.00035 | 0.36 | 0.00016 | 0.58 |
Fatty acids and related metabolites | Â | Â | Â | Â |
   Methyl-hexadecanedioic acid AND/OR heptadecanedioic acid AND/OR 9,10-dihydroxy-13-hydroperoxy-11-octadecenoic acid | 0.00172 | 3.41 | 0.00088 | 2.05 |
   Dodecenedioic acid AND/OR 9,12-dioxo-dodecanoic acid | 0.00093 | 2.26 | 0.00067 | 1.50 |
   Octadecatrienoic acid | 0.00708 | 1.90 | 0.00250 | 2.50 |
   Hydroperoxyoctadecadienoic acid | 0.02434 | 1.46 | 0.01261 | 1.96 |
   Heptadecenoic acid | 0.04694 | 1.26 | 0.03429 | 1.69 |
   Hexadecenoic acid AND/OR methyl-pentadecenoic acid AND/OR dimethyl-tetradecenoic acid | 0.02434 | 0.63 | 0.00407 | 0.22 |
   Hydroxydecadienedienoic acid | 0.04600 | 0.56 | 0.04125 | 0.75 |
   Hydroxydecanoic acid | 0.00150 | 0.49 | 0.00051 | 0.46 |
Lysophospholipids | Â | Â | Â | Â |
   LysoPE(18:0) | 0.03051 | 1.38 | 0.04937 | 1.20 |
   LysoPE(18:2) | 0.00708 | 1.33 | 0.00016 | 2.44 |
   LysoPC(18:2) | 0.03798 | 1.17 | 0.00029 | 1.26 |
   LysoPC(18:1) | 0.01185 | 0.70 | 0.02014 | 0.67 |
   LysoPC(20:4) | 0.01255 | 0.70 | 0.00021 | 0.60 |
   LysoPC(16:1) | 0.02434 | 0.65 | 0.00051 | 0.21 |
   LysoPC(14:0) | 0.00093 | 0.57 | 0.00250 | 0.29 |
   LysoPC(20:1) | 0.00541 | 0.48 | 0.01261 | 0.61 |
   LysoPC(22:6) | 0.00172 | 0.46 | 0.00320 | 0.46 |
   LysoPC(dm16:0) | 0.00035 | 0.43 | 0.00088 | 0.56 |
   LysoPC(O-16:2) | 0.02092 | 0.32 | 0.01255 | 0.22 |
   LysoPC(22:5) | 0.00146 | 0.30 | 0.00021 | 0.27 |
Nucleosides, purine and pyrimidine metabolites | Â | Â | Â | Â |
   1,7-Dimethylxanthine AND/OR theobromine AND/OR theophylline | 0.00035 | 3.40 | 0.00016 | 2.87 |
   Thionicotinamide-adenine-dinucleotide | 0.00035 | 2.68 | 0.00021 | 1.64 |
   5-Methyl-2'-deoxycytidine | 0.01255 | 2.54 | 0.00016 | 2.10 |
   Hydroxyadenine AND/OR guanine | 0.00049 | 0.81 | 0.00021 | 0.77 |
   Cytosine | 0.00049 | 0.73 | 0.00021 | 0.59 |
   Deoxycytidine | 0.03389 | 0.48 | 0.00016 | 0.32 |
Phospholipids | Â | Â | Â | Â |
   PC(36:2) | 0.00035 | 2.95 | 0.00016 | 1.76 |
   PE-NMe2(32:0) AND/OR PC(34:1) | 0.00049 | 2.45 | 0.00115 | 1.23 |
   PE(36:2) | 0.00172 | 2.28 | 0.00016 | 2.47 |
   PE(38:3) | 0.00035 | 2.05 | 0.00051 | 1.44 |
   PC(2:0/O-18:0) AND/OR PC(O-16:0/4:0) | 0.00310 | 1.95 | 0.00250 | 1.42 |
   PC(34:2) | 0.00172 | 1.91 | 0.00016 | 1.38 |
   PC(36:2) | 0.00172 | 1.88 | 0.00016 | 1.51 |
   PC(20:2/dm18:1) AND/OR PC(20:3/dm18:0) AND/OR PC(O-16:0/22:4) AND/OR PC(O-18:0/20:4) | 0.04550 | 1.72 | 0.00082 | 1.37 |
   PE(38:2) | 0.00067 | 1.59 | 0.00016 | 2.26 |
   PC(34:3) | 0.00232 | 1.54 | 0.00024 | 2.30 |
   PC(36:4) | 0.01185 | 1.52 | 0.00194 | 1.18 |
   PC(6:0/O-16:0) AND/OR PC(O-12:0/10:0) AND/OR PC(O-18:0/4:0) AND/OR PC(O-20:0/2:0) | 0.00328 | 1.52 | 0.00220 | 1.62 |
   PC(40:5) | 0.00172 | 1.49 | 0.00194 | 1.13 |
   PC(38:5) | 0.00932 | 1.42 | 0.02837 | 1.06 |
   PC(40:8) | 0.03389 | 1.26 | 0.00465 | 1.31 |
   PC(18:2/dm18:1) AND/OR PC(18:3/dm18:0) AND/OR PC(20:3/dm16:0) AND/OR PC(O-16:0/20:4) | 0.04236 | 1.19 | 0.01789 | 1.15 |
   PC(32:1) | 0.04694 | 0.84 | 0.00016 | 0.17 |
   PC(36:0) | 0.00708 | 0.70 | 0.02837 | 0.90 |
   PC(16:0/O-16:0) AND/OR PC(O-14:0/18:0) | 0.02689 | 0.69 | 0.00021 | 0.60 |
   PC(O-8:0/O-8:0) | 0.00093 | 0.62 | 0.00150 | 0.63 |
   PC(44:9) | 0.03347 | 0.61 | 0.00024 | 0.60 |
   PC(42:7) | 0.03389 | 0.55 | 0.00016 | 0.71 |
   PC(18:1/dm18:1) AND/OR PC(18:2/dm18:0) AND/OR PC(20:2/dm16:0) AND/OR PC(O-16:0/20:3) AND/OR PC(20:4/dm18:1) | 0.00415 | 0.53 | 0.00194 | 0.63 |
   PC(18:0/O-16:0) AND/OR PC(O-18:0/16:0) AND/OR PC(38:4) | 0.01928 | 0.53 | 0.04937 | 0.86 |
   PC(34:4) | 0.00218 | 0.47 | 0.00024 | 0.31 |
   PC(38:2) | 0.00172 | 0.43 | 0.00051 | 0.60 |
   PC(18:0/dm18:1) AND/OR PC(18:1/dm18:0) AND/OR PC(18:2/O-18:0) AND/OR PC(20:1/dm16:0) AND/OR PC(P-18:0/18:1) AND/OR PC(20:3/dm18:1) | 0.00232 | 0.32 | 0.00407 | 0.76 |
Short chain fatty acids and organic acids | Â | Â | Â | Â |
   Azelaic acid | 0.00232 | 5.22 | 0.00051 | 1.68 |
   Oxopentanoic acid AND/OR methyl-oxobutanoic acid | 0.00035 | 4.95 | 0.00088 | 1.78 |
   Hydroxybutanoic acid AND/OR methyl-hydroxybutanoic acid | 0.01255 | 4.64 | 0.00016 | 3.13 |
   2-Ethylhydracrylic acid AND/OR hydroxy-methylbutyric acid | 0.00035 | 4.18 | 0.00016 | 2.42 |
   Methylacetoacetic acid | 0.00035 | 4.14 | 0.00150 | 1.40 |
   3-Butenoic acid | 0.00035 | 3.79 | 0.00016 | 2.66 |
   2-Methylglutaconic acid AND/OR 2,3-dimethylmaleic acid AND/OR 2-methyleneglutaric acid AND/OR 3-hexenedioic acid | 0.00035 | 3.61 | 0.00194 | 1.49 |
   Hydroxyacetone AND/OR propanoic acid AND/OR dihydroxybutyric acid AND/OR 4-deoxyerythronic acid | 0.00086 | 2.66 | 0.00016 | 1.51 |
   Hydroxyhexanoic acid AND/OR 2-ethyl-2-hydroxybutyric acid | 0.00093 | 2.51 | 0.00016 | 2.13 |
   Glyceric acid | 0.01417 | 2.01 | 0.00024 | 3.33 |
   Isonicotinic acid AND/OR nicotinic acid AND/OR picolinic acid | 0.01185 | 0.69 | 0.00650 | 0.86 |
   Hydroxybenzoic acid AND/OR salicylic acid | 0.02689 | 0.57 | 0.04125 | 0.74 |
   Indolepyruvic acid | 0.00150 | 0.56 | 0.00061 | 0.55 |
   Methylindolepyruvic acid | 0.03347 | 0.49 | 0.00220 | 0.51 |
   Lactic acid | 0.00415 | 0.34 | 0.00016 | 0.56 |
Sphingomyelines | Â | Â | Â | Â |
   SM(d18:1/18:1) | 0.00541 | 1.73 | 0.00138 | 1.42 |
   SM(d18:1/22:1) | 0.00919 | 0.75 | 0.00815 | 0.67 |
   SM(d18:1/14:0) | 0.01517 | 0.60 | 0.00128 | 0.28 |
   SM(d18:1/22:0) | 0.00049 | 0.53 | 0.00021 | 0.47 |
Vitamin D metabolites | Â | Â | Â | Â |
   1Alpha,25-dihydroxy-19-nor-22-oxavitamin D3 AND/OR 26,27-dinor-3alpha,6alpha,12alpha-trihydroxy-5beta-cholestan-24-one AND/OR linoleyl carnitine | 0.00035 | 2.65 | 0.00038 | 3.36 |
   11Alpha-hemiglutaryloxy-1,25-dihydroxyvitamin D3 | 0.02086 | 1.39 | 0.03429 | 1.30 |
   (22E)-(24R)-1Alpha,24,25-trihydroxy-22,23-didehydrovitamin D3 | 0.01517 | 0.44 | 0.00021 | 0.29 |
Other metabolites | Â | Â | Â | Â |
   2,5,7,8-Tetramethyl-2-(2'-carboxyethyl)-6-hydroxychroman -glucuronide | 0.03671 | 6.60 | 0.01123 | 5.60 |
   C12 SUGAR | 0.00035 | 5.59 | 0.00016 | 5.52 |
   Harman | 0.00035 | 5.00 | 0.00016 | 3.77 |
   1-O-Coumaroyl-beta-D-glucose AND/OR 4-O-beta-D-glucosyl-4-hydroxycinnamate AND/OR cis-beta-D-glucosyl-2-hydroxycinnamate AND/OR coumarinic acid-beta-D-glucoside AND/OR trans-beta-D-glucosyl-2-hydroxycinnamic acid | 0.00035 | 3.97 | 0.00029 | 3.36 |
   Pteridine | 0.00053 | 3.75 | 0.00051 | 2.28 |
   1-(4'-Hydroxyphenyl)ethanol AND/OR 3-methoxybenzyl alcohol AND/OR 4-hydroxyphenylethanol | 0.00124 | 3.59 | 0.00016 | 1.86 |
   C6 SUGAR | 0.00035 | 3.36 | 0.00016 | 3.35 |
   N-Formylpiperidine AND/OR 2-methylbutyrylglycine AND/OR 3-dehydrocarnitine | 0.00127 | 3.09 | 0.00016 | 1.88 |
   Leucine phosphonic acid AND/OR norleucine phosphonate AND/OR N-trimethyl-2-aminoethylphosphonate | 0.00146 | 2.72 | 0.00341 | 1.96 |
   2-Amino-2-methylbutanoate AND/OR amino-pentanoic acid AND/OR 4-methylaminobutyrate AND/OR betaine AND/OR isovaline AND/OR norvaline | 0.00035 | 2.64 | 0.00029 | 1.60 |
   Sebacic acid AND/OR 1,8-diaminooctane AND/OR 2-amyl 3-butenoic acid AND/OR nonenoic acid AND/OR 4-hydroxynonenal AND/OR 6-methyl-5-octenoic acid | 0.00919 | 2.51 | 0.00407 | 1.63 |
   4-Hydroxyphenylacetylglutamic acid | 0.00035 | 2.50 | 0.00016 | 3.35 |
   Riboflavin | 0.01742 | 2.21 | 0.00629 | 3.51 |
   Neuromedin B (1-3) | 0.00049 | 2.10 | 0.00088 | 1.95 |
   12-Hydroxyjasmonic acid 12-O-beta-D-glucoside | 0.04123 | 2.01 | 0.00239 | 5.74 |
   N-(2-hydroxy-2S-methyl-ethyl)-16,16-dimethyl-5Z,8Z,11Z,14Z-docosatetraenoyl amine AND/OR N-(2-methoxy-ethyl)-16,16-dimethyl-5Z,8Z,11Z,14Z-docosatetraenoyl amine | 0.00179 | 1.80 | 0.00114 | 1.63 |
   4-Hydroxyphenylacetonitrile AND/OR hydroxyindole AND/OR 2,5,6-trihydroxy-5,6-dihydroquinoline AND/OR 3-succinoylpyridine AND/OR adrenochrome AND/OR hippuric acid | 0.00067 | 1.80 | 0.00320 | 1.48 |
   4-Hydroxy-2-quinolinecarboxylic acid AND/OR indole-3-glyoxylic acid AND/OR kynurenic acid | 0.00937 | 1.78 | 0.01789 | 1.54 |
   2,6-Dimethoxyphenol AND/OR 4-hydroxy-3-methoxy-benzenemethanol AND/OR hydroxytyrosol | 0.00950 | 1.69 | 0.03389 | 2.44 |
   Urea | 0.00067 | 1.68 | 0.00115 | 1.44 |
   Dolichyl phosphate AND/OR 1,25-dihydroxy-2-nor-1,2-secovitamin D3 AND/OR 1alpha,25-dihydroxy-19-norvitamin D3 | 0.04486 | 1.66 | 0.04331 | 1.82 |
   2,5,6-Trihydroxy-5,6-dihydroquinoline AND/OR 3-succinoylpyridine AND/OR adrenochrome AND/OR hippurate | 0.03051 | 1.64 | 0.00194 | 1.55 |
   Bacteriohopane-32,33,34,35-tetrol | 0.03075 | 1.59 | 0.00705 | 1.92 |
   Acetylcarnitine | 0.02789 | 1.56 | 0.00038 | 1.90 |
   Palmitoyl glucuronide | 0.02689 | 1.56 | 0.00016 | 1.49 |
   2-Phenylethanol glucuronide | 0.01928 | 1.46 | 0.00051 | 1.88 |
   Methylnitrosourea | 0.00127 | 1.45 | 0.00038 | 1.98 |
   DG(36:4) | 0.02689 | 1.34 | 0.00115 | 2.65 |
   1-(9Z,1Z-octadecadienoyl)-2-(10Z,13Z,16Z,19Z-docosatetraenoyl)-3-O-[hydroxymethyl-N,N,N-trimethyl-beta-alanine]-glycerol | 0.00310 | 1.30 | 0.00016 | 1.09 |
   (22alpha)-Hydroxy-cholestanol AND/OR 3alpha,7alpha-dihydroxy-5beta-cholestane AND/OR 5beta-cholestane-3alpha,12alpha-diol | 0.03051 | 1.28 | 0.01261 | 1.33 |
   3-Amino-3-(4-hydroxyphenyl)propanoic acid AND/OR 3-hydroxyphenylalanine AND/OR threo-phenylserine AND/OR tyrosine | 0.04694 | 0.84 | 0.00021 | 0.66 |
   5-Hydroxy-2-polyprenylphenol AND/OR geranylhydroquinone | 0.00919 | 0.80 | 0.00937 | 0.71 |
   Glycinamide AND/OR N-acetyldiamine AND/OR N-methylurea AND/OR N-nitrosodimethylamine | 0.00067 | 0.79 | 0.00250 | 0.94 |
   Cervonyl carnitine | 0.00250 | 0.63 | 0.00115 | 0.54 |
   Betaine citrate | 0.00932 | 0.61 | 0.01123 | 0.61 |
   Beta-cyclohexyl-alanine | 0.00708 | 0.58 | 0.00250 | 0.81 |
   3-Ureidoisobutyric acid AND/OR alanylglycine | 0.00035 | 0.53 | 0.00016 | 0.45 |
   Propenoate AND/OR alanine AND/OR beta-alanine AND/OR sarcosine | 0.04694 | 0.52 | 0.00150 | 0.80 |
   Creatinine | 0.00035 | 0.48 | 0.00016 | 0.59 |
   N-(3-Phenyl-2-sulfanylpropanoyl)phenylalanylalanine | 0.00067 | 0.48 | 0.00016 | 0.56 |
   Creatine | 0.03798 | 0.45 | 0.00016 | 0.48 |
   N1-Methyl-2-pyridone-5-carboxamide | 0.00270 | 0.43 | 0.00109 | 0.47 |
   All trans decaprenyl diphosphate | 0.03389 | 0.42 | 0.00114 | 0.40 |
   2-Methyl-5-hydroxytryptamine AND/OR 5-methoxytryptamine AND/OR cytisine AND/OR N-methylserotonin | 0.01255 | 0.39 | 0.00021 | 0.58 |
   Dehydroisocoproporphyrinogen | 0.00035 | 0.36 | 0.00220 | 0.23 |
   5-Amino-5-deoxy-cellobiono-1,5-Lactam;6-(alpha-D-glucosaminyl)-1D-myo-inositol;6-(alpha-D-glucosaminyl)-1D-myo-inositol | 0.04331 | 0.31 | 0.00815 | 0.71 |
   7,8,7',8'-Tetradehydroastaxanthin | 0.00035 | 0.23 | 0.00029 | 0.57 |