Data for ST003066
| Metabolite structure | All data | F1 | F2 |
|---|---|---|---|
| 10-heptadecenoate (17:1n7) | 80076.40 | 64064.96 | |
| 1,2-propanediol | 7166355.80 | 12203067.73 | |
| 13-HODE + 9-HODE | 84778.60 | 72573.69 | |
| 1,5-anhydroglucitol (1,5-AG) | 911744.50 | 1190886.42 | |
| 1,6-anhydroglucose | 90049.75 | 61692.33 | |
| 1-arachidonoylglycerophosphocholine (20:4n6)* | 33717.11 | 34754.65 | |
| 1-arachidonoylglycerophosphoethanolamine* | 205453.50 | 224355.50 | |
| 1-arachidonoylglycerophosphoinositol* | 26189.10 | 28032.81 | |
| 1-docosahexaenoylglycerophosphoethanolamine* | 42363.40 | 54179.31 | |
| 1-linoleoylglycerophosphocholine (18:2n6) | 34749.83 | 30144.57 | |
| 1-linoleoylglycerophosphoethanolamine* | 54620.90 | 44186.58 | |
| 1-oleoylglycerophosphocholine (18:1) | 37562.17 | 37362.00 | |
| 1-oleoylglycerophosphoethanolamine | 104639.60 | 107540.92 | |
| 1-oleoylplasmenylethanolamine* | 28502.40 | 27806.72 | |
| 1-palmitoylglycerophosphocholine (16:0) | 873985.80 | 853036.23 | |
| 1-palmitoylglycerophosphoethanolamine | 83183.10 | 86304.42 | |
| 1-palmitoylplasmenylethanolamine* | 41041.60 | 49232.50 | |
| 1-stearoylglycerophosphocholine (18:0) | 96083.00 | 73862.36 | |
| 1-stearoylglycerophosphoethanolamine | 99406.10 | 100611.00 | |
| 1-stearoylglycerophosphoinositol | 46176.60 | 48577.50 | |
| 1-stearoylglycerophosphoserine* | 177624.30 | 201271.00 | |
| 1-stearoylplasmenylethanolamine* | 54487.90 | 86496.00 | |
| 2,3-diphosphoglycerate | 334084.90 | 353604.35 | |
| 2-aminobutyrate | 661433.40 | 638121.46 | |
| 2-aminooctanoate | 24142.78 | 19961.70 | |
| 2-arachidonoylglycerophosphocholine* | 11393.17 | 11096.47 | |
| 2-arachidonoylglycerophosphoethanolamine* | 69927.00 | 82373.31 | |
| 2-docosahexaenoylglycerophosphoethanolamine* | 14706.89 | 19919.08 | |
| 2-ethylhexanoate (isobar with 2-propylpentanoate) | 7309.33 | 7932.38 | |
| 2-hydroxyacetaminophen sulfate* | 3582.00 | 25229.00 | |
| 2-hydroxybutyrate (AHB) | 400288.50 | 378895.96 | |
| 2-hydroxyglutarate | 71029.90 | 69138.31 | |
| 2-hydroxyhippurate (salicylurate) | 44077.00 | 28079.67 | |
| 2-hydroxyibuprofen | 5906.00 | 11259.00 | |
| 2-linoleoylglycerophosphocholine* | 35004.67 | 38295.88 | |
| 2-linoleoylglycerophosphoethanolamine* | 37505.33 | 38464.13 | |
| 2-methoxyacetaminophen sulfate* | 5495.00 | 11317.00 | |
| 2-methylbutyrylcarnitine (C5) | 26454.80 | 29636.91 | |
| 2-oleoylglycerophosphocholine* | 57918.14 | 60301.06 | |
| 2-oleoylglycerophosphoethanolamine* | 31272.30 | 34595.31 | |
| 2-palmitoylglycerophosphocholine* | 87535.00 | 86259.23 | |
| 2-palmitoylglycerophosphoethanolamine* | 16152.33 | 14770.60 | |
| 3-(4-hydroxyphenyl)lactate | 26684.40 | 24342.23 | |
| 3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMPF) | 2733.00 | 6824.22 | |
| 3-dehydrocarnitine* | 198058.40 | 220611.50 | |
| 3-hydroxybutyrate (BHBA) | 356913.90 | 632148.46 | |
| 3-indoxyl sulfate | 30247.20 | 31441.73 | |
| 3-methyl-2-oxobutyrate | 6738.60 | 6420.23 | |
| 3-methyl-2-oxovalerate | 11347.90 | 9713.19 | |
| 3-methylhistidine | 10922.12 | 14037.55 | |
| 3-phosphoglycerate | 203551.10 | 221786.69 | |
| 4-acetamidophenol | 758819.00 | 220308.50 | |
| 4-acetaminophen sulfate | 40911.00 | 94018.00 | |
| 4-androsten-3beta,17beta-diol disulfate 1* | 9958.62 | 5493.10 | |
| 4-ethylphenylsulfate | 10452.00 | 3200.00 | |
| 4-hydroxyphenylpyruvate | 3149.75 | 3411.62 | |
| 4-methyl-2-oxopentanoate | 20221.10 | 17375.54 | |
| 4-vinylphenol sulfate | 21290.00 | 11859.92 | |
| 5-oxoproline | 168568.10 | 181263.69 | |
| 6-phosphogluconate | 76781.00 | 39513.35 | |
| 7-alpha-hydroxycholesterol | 43479.20 | 42081.15 | |
| 7-beta-hydroxycholesterol | 71916.10 | 73573.58 | |
| 7-ketocholesterol | 11804.38 | 13424.14 | |
| acetylcarnitine | 990360.80 | 1180728.54 | |
| adenosine | 8119.70 | 8198.23 | |
| adenosine 5^-diphosphate (ADP) | 41242.10 | 44566.42 | |
| adenosine 5^-monophosphate (AMP) | 1523311.70 | 1598037.12 | |
| adrenate (22:4n6) | 886429.10 | 1141385.04 | |
| alanine | 25523228.80 | 26526580.31 | |
| alanylglutamate | 28588.20 | 34204.58 | |
| alanylhistidine | 7891.40 | 9712.58 | |
| alanylisoleucine | 11947.10 | 17617.19 | |
| alanylleucine | 43148.50 | 61248.23 | |
| alanylphenylalanine | 6497.00 | 12147.67 | |
| alanyltryptophan | 3494.00 | 4756.33 | |
| alanylvaline | 26213.14 | 32529.04 | |
| allantoin | 73627.00 | 60741.85 | |
| alpha-hydroxyisovalerate | 141122.00 | 92621.50 | |
| alpha-ketoglutarate | 19189.25 | 11399.56 | |
| alpha-tocopherol | 13701.14 | 21888.09 | |
| androsterone sulfate | 32268.80 | 21119.80 | |
| arabinose | 27888.00 | 25132.90 | |
| arabitol | 17197.50 | 19021.92 | |
| arabonate | 48126.20 | 45327.85 | |
| arachidonate (20:4n6) | 590390.10 | 690022.15 | |
| arginine | 490739.30 | 521266.69 | |
| arginylphenylalanine | 3188.00 | 10857.00 | |
| asparagine | 1040966.10 | 1105651.62 | |
| asparagylleucine | 4283.00 | 10044.42 | |
| asparagylvaline | 8533.50 | 11817.92 | |
| aspartate | 4931544.40 | 6160303.73 | |
| beta-alanine | 136675.40 | 143185.77 | |
| betaine | 586237.10 | 633660.38 | |
| beta-sitosterol | 33014.80 | 46043.50 | |
| biliverdin | 7771.00 | 5732.94 | |
| caffeine | 161639.78 | 116264.88 | |
| caprate (10:0) | 20996.20 | 17809.08 | |
| caproate (6:0) | 9504.83 | 9336.36 | |
| caprylate (8:0) | 5886.00 | 6235.90 | |
| carboxyibuprofen | 3588.00 | 18230.00 | |
| carnitine | 352717.20 | 396891.58 | |
| catechol sulfate | 15912.70 | 17322.88 | |
| C-glycosyltryptophan* | 17750.80 | 16864.69 | |
| chiro-inositol | 37971.25 | 46456.27 | |
| cholate | 9379.75 | 10083.33 | |
| cholestanol | 54100.20 | 53003.12 | |
| cholesterol | 16869099.70 | 17978410.96 | |
| choline | 595157.30 | 476564.12 | |
| choline phosphate | 22732.70 | 20400.54 | |
| cis-vaccenate (18:1n7) | 122287.60 | 103789.62 | |
| citrate | 56544.60 | 48772.15 | |
| citrulline | 108055.50 | 115360.81 | |
| creatine | 4268599.20 | 4551040.15 | |
| creatinine | 394218.80 | 394608.58 | |
| cyclo(leu-ala) | 20092.00 | 25759.00 | |
| cysteinylglycine | 124940.20 | 142645.00 | |
| dehydroisoandrosterone sulfate (DHEA-S) | 62273.70 | 53315.08 | |
| deoxycarnitine | 210268.00 | 243439.42 | |
| dihomo-linoleate (20:2n6) | 47996.30 | 48365.38 | |
| dihomo-linolenate (20:3n3 or n6) | 75912.30 | 72156.58 | |
| dihydroxyacetone phosphate (DHAP) | 498101.30 | 465242.38 | |
| dimethylarginine (SDMA + ADMA) | 69794.40 | 84981.50 | |
| dimethyl sulfoxide (DMSO)* | 24903.50 | 75899.92 | |
| docosahexaenoate (DHA; 22:6n3) | 83250.80 | 107815.08 | |
| docosapentaenoate (n3 DPA; 22:5n3) | 59457.10 | 63636.27 | |
| docosapentaenoate (n6 DPA; 22:5n6) | 18754.70 | 18934.60 | |
| dodecanedioate | 3246.50 | 5899.89 | |
| doxycycline | 281884.00 | - | |
| EDTA | 64844.90 | 55872.62 | |
| eicosapentaenoate (EPA; 20:5n3) | 39491.90 | 40919.88 | |
| eicosenoate (20:1n9 or 11) | 51218.10 | 55375.69 | |
| epiandrosterone sulfate | 11670.14 | 7859.10 | |
| ergothioneine | 53121.10 | 45204.62 | |
| erythritol | 1741993.70 | 1556593.92 | |
| erythronate* | 68659.40 | 66242.92 | |
| ethanolamine | 328046.50 | 400264.15 | |
| flavin adenine dinucleotide (FAD) | 3254.22 | 4170.74 | |
| fructose | 546051.40 | 671022.88 | |
| fumarate | 98355.80 | 108887.58 | |
| gamma-glutamylglutamate | 20855.40 | 19770.88 | |
| gamma-glutamylleucine | 22991.44 | 27933.76 | |
| gamma-glutamylthreonine* | 27969.10 | 45538.48 | |
| gamma-glutamylvaline | 22005.56 | 32610.67 | |
| gluconate | 25524.50 | 21758.92 | |
| glucose | 10302500.60 | 7345089.38 | |
| glucose-6-phosphate (G6P) | 167902.88 | 63886.83 | |
| glutamate | 5890456.90 | 7453609.96 | |
| glutamine | 474380.00 | 477019.77 | |
| glutathione, oxidized (GSSG) | 2863638.20 | 3080167.46 | |
| glutathione, reduced (GSH) | 605142.60 | 672173.15 | |
| glycerate | 162854.40 | 160421.35 | |
| glycerol 2-phosphate | 40081.00 | 47148.69 | |
| glycerol 3-phosphate (G3P) | 350314.20 | 273214.46 | |
| glycerophosphorylcholine (GPC) | 26926.00 | 35601.26 | |
| glycine | 11623805.30 | 13109729.58 | |
| glycochenodeoxycholate | 22696.67 | 13117.92 | |
| glycodeoxycholate | 25631.83 | 12475.85 | |
| glycoursodeoxycholate | 6197.17 | 10203.57 | |
| glycylglutamate | 8038.57 | 11153.71 | |
| glycylleucine | 38990.70 | 38598.35 | |
| guanine | 45013.56 | 39275.00 | |
| guanosine 5^-diphospho-fucose | 13191.30 | 13511.88 | |
| guanosine 5^- monophosphate (5^-GMP) | 48409.60 | 46723.04 | |
| gulono-1,4-lactone | 421384.00 | 463653.12 | |
| heme | 538322.80 | 555200.15 | |
| hippurate | 27961.40 | 36903.23 | |
| histidine | 93638.50 | 99851.92 | |
| histidylisoleucine | 18596.20 | 15807.50 | |
| histidylphenylalanine | 24124.11 | 24668.95 | |
| hydroxybutyrylcarnitine* | 12539.62 | 13290.81 | |
| hypotaurine | 94647.90 | 126431.00 | |
| hypoxanthine | 271155.10 | 285411.85 | |
| ibuprofen | 6222.00 | 28645.50 | |
| iminodiacetate (IDA) | 110860.30 | 118166.08 | |
| indoleacrylate | 8714.33 | 13544.95 | |
| inosine | 137809.90 | 124143.31 | |
| inosine 5^-monophosphate (IMP) | 211740.80 | 196078.38 | |
| Isobar: fructose 1,6-diphosphate, glucose 1,6-diphosphate, m... | 476529.20 | 451235.50 | |
| Isobar: leucylisoleucine, isoleucylleucine | 5426.00 | 19100.73 | |
| Isobar: pentulose 5-phosphates | 335322.50 | 268797.85 | |
| isobutyrylcarnitine | 39802.80 | 36002.69 | |
| isoleucine | 3598137.20 | 3685901.77 | |
| isoleucylaspartate | 3321.60 | 6673.23 | |
| isoleucylglutamate | 7017.11 | 13460.14 | |
| isoleucylglycine | 21912.70 | 23437.42 | |
| isoleucylhistidine | 4688.71 | 7225.54 | |
| isoleucylserine | 6266.56 | 11890.60 | |
| isovalerylcarnitine | 25502.11 | 20647.12 | |
| kynurenine | 41271.80 | 42823.65 | |
| lactate | 38839762.00 | 41079842.38 | |
| lathosterol | 56111.00 | 53936.74 | |
| leucine | 8722955.60 | 9917209.38 | |
| leucylalanine | 35074.00 | 76507.79 | |
| leucylaspartate | 5716.22 | 10285.30 | |
| leucylglutamate | 12642.60 | 22311.45 | |
| leucylglycine | 3845.70 | 9165.18 | |
| leucylhistidine | 4772.00 | 9272.30 | |
| leucylleucine | 4778.71 | 14035.55 | |
| leucylphenylalanine | 4295.67 | 16192.57 | |
| leucylserine | 4901.20 | 9847.06 | |
| leucylthreonine | 41607.80 | 75611.81 | |
| leucyltryptophan | 4498.50 | 9752.80 | |
| linoleate (18:2n6) | 1630331.30 | 1490020.81 | |
| linolenate [alpha or gamma; (18:3n3 or 6)] | 115138.50 | 103152.85 | |
| lysine | 1674228.30 | 1851349.00 | |
| lysylphenylalanine | 12137.00 | 27875.20 | |
| lysylvaline | 8503.33 | 16996.36 | |
| malate | 304321.70 | 337564.04 | |
| maltose | 657566.10 | 623962.31 | |
| maltotetraose | 32424.60 | 35668.62 | |
| maltotriose | 50756.70 | 51372.65 | |
| mannitol | 71883.20 | 104544.27 | |
| mannose | 320621.10 | 269309.73 | |
| mannose-6-phosphate | 57638.70 | 51023.40 | |
| margarate (17:0) | 172667.90 | 169505.19 | |
| mead acid (20:3n9) | 11828.90 | 11409.35 | |
| methionine | 775202.90 | 888033.42 | |
| methylphosphate | 205428.00 | 206740.38 | |
| myo-inositol | 861719.30 | 873466.00 | |
| myristoleate (14:1n5) | 19939.44 | 15999.41 | |
| N6-acetyllysine | 27891.70 | 33055.04 | |
| N-acetylalanine | 11214.80 | 11721.58 | |
| N-acetylglycine | 71570.30 | 82952.28 | |
| N-acetylmannosamine | 164856.10 | 173335.23 | |
| N-acetylmethionine | 281344.10 | 297078.08 | |
| N-acetylmethionine sulfoxide | 16059.70 | 18382.65 | |
| N-acetylneuraminate | 45379.11 | 47374.38 | |
| N-acetylphenylalanine | 4618.60 | 4399.33 | |
| naproxen | - | 110967.00 | |
| N-delta-acetylornithine* | 22336.86 | 26570.00 | |
| nicotinamide | 1941861.90 | 1749388.81 | |
| N-methyl proline | 24344.50 | 20631.21 | |
| nonadecanoate (19:0) | 19487.70 | 19075.62 | |
| N-palmitoyl-D-erythro-sphingosine | 23048.29 | 31864.24 | |
| oleate (18:1n9) | 523676.90 | 497867.85 | |
| oleoylcarnitine | 93451.83 | 36611.86 | |
| ophthalmate | 184610.70 | 212053.08 | |
| ornithine | 6332115.80 | 7132151.46 | |
| orotate | 23165.50 | 23838.06 | |
| p-acetamidophenylglucuronide | - | 6828.00 | |
| palmitate (16:0) | 4927709.90 | 4828773.62 | |
| palmitoleate (16:1n7) | 433342.20 | 348817.19 | |
| palmitoylcarnitine | 72897.80 | 55333.20 | |
| palmitoyl sphingomyelin | 10572389.00 | 12416893.42 | |
| pantothenate | 4951.00 | 4673.47 | |
| paraxanthine | 7250.57 | 6374.64 | |
| p-cresol sulfate | 67048.30 | 70959.77 | |
| pelargonate (9:0) | 18373.20 | 17258.85 | |
| pentadecanoate (15:0) | 69780.44 | 57896.50 | |
| phenol red | 88994.00 | - | |
| phenol sulfate | 27934.80 | 24485.65 | |
| phenylacetylglutamine | 18039.90 | 21233.42 | |
| phenylalanine | 6474089.20 | 6930556.88 | |
| phenylalanylaspartate | 34147.30 | 34522.69 | |
| phenylalanylglutamate | 273615.00 | 352826.31 | |
| phenylalanylleucine | 14657.70 | 25603.20 | |
| phosphate | 115751898.40 | 119641896.31 | |
| phosphoenolpyruvate (PEP) | 61049.60 | 73627.60 | |
| pipecolate | 44472.00 | 70698.81 | |
| pregnen-diol disulfate* | 7112.00 | 4901.46 | |
| pregn steroid monosulfate* | 9074.71 | 7170.30 | |
| proline | 75920.90 | 79251.38 | |
| prolylglutamate | 60387.60 | 85733.62 | |
| prolylthreonine | 5302.60 | 4751.53 | |
| propionylcarnitine | 340701.60 | 354337.77 | |
| pseudouridine | 29943.80 | 32674.88 | |
| pyroglutamine* | 80386.70 | 77400.46 | |
| pyrophosphate (PPi) | 185276.88 | 278395.62 | |
| pyruvate | 247181.80 | 263290.20 | |
| quinate | 20755.71 | 25549.11 | |
| ribose 5-phosphate | 105001.60 | 76171.46 | |
| ribulose | 60315.60 | 62386.69 | |
| S-adenosylhomocysteine (SAH) | 8339.60 | 8853.42 | |
| salicylate | 34207.00 | 39948.00 | |
| sarcosine (N-Methylglycine) | 130000.30 | 122820.27 | |
| scyllo-inositol | 23876.00 | 22973.24 | |
| serine | 5853814.10 | 6760094.85 | |
| serylleucine | 28804.30 | 49887.74 | |
| serylphenyalanine | 20207.70 | 33371.26 | |
| serylvaline | 9913.10 | 11798.92 | |
| S-lactoylglutathione | 16652.29 | 16798.04 | |
| S-methylcysteine | 21854.90 | 33467.67 | |
| S-methylglutathione | 25066.80 | 29595.27 | |
| sorbitol | 122531.70 | 119273.15 | |
| spermidine | 197014.10 | 210967.23 | |
| spermine | 52259.40 | 53815.33 | |
| sphingosine | 74052.00 | 28993.40 | |
| stachydrine | 615252.90 | 371159.65 | |
| stearamide | 102240.14 | 117806.32 | |
| stearate (18:0) | 4862931.50 | 5064436.62 | |
| stearoyl sphingomyelin | 991650.50 | 1129893.46 | |
| succinylcarnitine | 179220.80 | 165173.69 | |
| taurine | 38042.56 | 45048.40 | |
| tetradecanedioate | 3527.86 | 5148.24 | |
| theobromine | 103946.25 | 99775.35 | |
| threitol | 36882.12 | 30768.04 | |
| threonate | 153461.70 | 158722.65 | |
| threonine | 1474045.60 | 1672857.27 | |
| threonylleucine | 66910.60 | 115567.69 | |
| threonylphenylalanine | 7181.56 | 10657.29 | |
| threonylvaline | 7124.30 | 11509.82 | |
| thymol sulfate | 5942.25 | 5532.25 | |
| trans-4-hydroxyproline | 23965.10 | 21503.64 | |
| triethanolamine | 240731.00 | - | |
| tryptophan | 1868264.70 | 1987392.38 | |
| tryptophan betaine | 437627.00 | 824249.42 | |
| tyrosine | 2663624.00 | 2800714.46 | |
| tyrosylarginine | 4264.00 | 6827.67 | |
| tyrosylglutamate | 7402.00 | 7762.12 | |
| tyrosylhistidine | 6063.00 | 15810.60 | |
| urate | 1406883.20 | 1286988.96 | |
| urea | 2822695.60 | 2269741.08 | |
| uridine | 125394.00 | 116205.54 | |
| valine | 6717867.50 | 7146965.62 | |
| valylalanine | 13084.60 | 16727.46 | |
| valylasparagine | - | 6811.40 | |
| valylaspartate | 43646.50 | 56810.31 | |
| valylglutamate | 59128.30 | 61411.23 | |
| valylglycine | 7313.90 | 8540.46 | |
| valylhistidine | 12046.70 | 12974.19 | |
| valylleucine | 38073.20 | 58466.08 | |
| valylmethionine | - | 9443.25 | |
| valylphenylalanine | - | 8539.60 | |
| valylserine | 3978.67 | 9863.45 | |
| valylthreonine | 4462.30 | 9154.24 | |
| valylvaline | 8348.80 | 11192.24 | |
| VGAHAGEYGAEALER* | 21829.00 | - | |
| xanthine | 12846.40 | 13308.32 | |
| xylonate | 33669.44 | 34916.08 | |
| xylose | 48656.20 | 50417.53 |
Factors:
| F1 | Genotype:DZ |
| F2 | Genotype:MZ |
