Data for ST003178
| Metabolite structure | All data | F1 | F2 | F3 | F4 |
|---|---|---|---|---|---|
| 1,3-propanediol | 141107.00 | 210631.78 | 129689.43 | 581813.00 | |
| 1-methyl-4-imidazoleacetate | 345899.60 | 248337.71 | 211325.22 | 234301.86 | |
| 1-methyl-5-imidazoleacetate | 1536364.27 | 3174980.10 | 1088738.00 | 1681726.71 | |
| 1-methylnicotinamide | 670354.82 | 494352.10 | 476497.20 | 839690.71 | |
| 1-ribosyl-imidazoleacetate* | 1302467.82 | 1510841.60 | 1152457.20 | 1303024.00 | |
| 2-aminoheptanoate | 238475.70 | 246316.80 | 176655.70 | 166187.00 | |
| 2^-deoxycytidine | 110188.70 | 113397.30 | 100875.67 | 84304.43 | |
| 2^-O-methylcytidine | 687407.64 | 734259.80 | 585864.20 | 451483.14 | |
| 2-oxoarginine* | 514010.30 | 589611.80 | 337455.90 | 401753.00 | |
| 2-piperidinone | 58568379.09 | 85980288.50 | 37759760.90 | 51553362.29 | |
| 3-amino-2-piperidone | 611527.36 | 566986.50 | 602841.20 | 522319.14 | |
| 3-hydroxystachydrine* | 5793717.07 | 3659923.72 | 2153213.42 | 1101562.42 | |
| 3-methoxytyrosine | 213864.09 | 200525.40 | 175105.00 | 136683.71 | |
| 3-methylcytidine | 106256.89 | 90355.71 | 84265.33 | 71694.25 | |
| 3-methylglutarylcarnitine (2) | 550687.00 | 725123.40 | 407106.90 | 541052.29 | |
| 3-ureidopropionate | 1044324.36 | 1338774.70 | 861849.30 | 1370285.86 | |
| 4-guanidinobutanoate | 133512.33 | 195956.29 | 68200.67 | 99143.25 | |
| 4-hydroxybutyrate (GHB) | 2328051.64 | 1950523.60 | 1714066.70 | 1515954.14 | |
| 5,6-dihydrothymine | 2601902.27 | 2958934.00 | 2259045.80 | 2418861.29 | |
| 5-(galactosylhydroxy)-L-lysine | 401061.82 | 456076.50 | 298789.40 | 411179.29 | |
| 5-methylcytidine | 479060.18 | 502475.60 | 390744.90 | 380613.57 | |
| 5-methylthioadenosine (MTA) | 2712524.82 | 2893056.20 | 2002728.60 | 2022653.71 | |
| 5-methylthioribose** | 463063.45 | 555201.20 | 352143.60 | 488530.14 | |
| 7-methylguanine | 4012717.00 | 4034143.60 | 3337634.20 | 3550662.71 | |
| 7-methylxanthine | 876939.20 | 506738.86 | 752632.25 | 520122.50 | |
| acetoacetate | 451388.82 | 549877.40 | 408316.60 | 623443.25 | |
| acetylcarnitine (C2) | 20153668.18 | 25959635.50 | 16596886.60 | 23471031.86 | |
| adenine | 1265040.73 | 1369811.30 | 1061195.60 | 1034472.14 | |
| adipoylcarnitine (C6-DC) | 77097.50 | 86866.43 | 74588.20 | 69384.00 | |
| alanine | 174276388.64 | 180105388.50 | 153547714.50 | 159119704.43 | |
| anthranilate | 205658.22 | 264062.33 | 209051.50 | 266686.80 | |
| argininate* | 1058644.11 | 1007182.56 | 403852.25 | 419281.50 | |
| arginine | 383929551.82 | 422968922.90 | 340617816.60 | 354763033.43 | |
| argininosuccinate | 1028231.64 | 1234233.50 | 819152.80 | 835881.57 | |
| ascorbate (Vitamin C) | 66167773.91 | 61602509.90 | 49709059.60 | 54825405.86 | |
| asparagine | 48890718.91 | 61347648.50 | 47041460.30 | 45229514.14 | |
| aspartate | 623421.09 | 714754.20 | 589117.10 | 607006.86 | |
| beta-alanine | 4171135.90 | 3220041.10 | 3245494.30 | 3348880.43 | |
| beta-hydroxyisovaleroylcarnitine | 724150.55 | 926053.60 | 617169.20 | 805936.29 | |
| betaine | 97288458.00 | 103357253.50 | 69643226.70 | 93437821.57 | |
| betonicine | 1164007.88 | 332643.79 | 283441.59 | 350251.70 | |
| caffeine | 73641530.20 | 20703438.43 | 23550138.12 | 52976483.86 | |
| carboxyethyl-GABA | 877878.18 | 883285.00 | 652812.50 | 926429.71 | |
| carnitine | 64547947.55 | 80697375.80 | 56555255.80 | 66890478.29 | |
| C-glycosyltryptophan | 6260597.09 | 8017445.50 | 5341396.70 | 6076137.43 | |
| choline | 132736879.36 | 126483092.90 | 99603982.90 | 114201168.71 | |
| choline phosphate | 13076994.73 | 15868433.10 | 10022572.20 | 12330754.71 | |
| citrulline | 32341718.91 | 39123806.70 | 28128566.80 | 30384253.29 | |
| creatinine | 1047082061.82 | 1156681284.40 | 881804670.20 | 1002567092.86 | |
| cyclo(leu-pro) | 432326.91 | 275174.90 | 243673.10 | 332990.43 | |
| cys-gly, oxidized | 3260403.64 | 3693098.60 | 3293810.10 | 3525832.00 | |
| cystathionine | 137195.78 | 125827.86 | 145704.50 | 72963.50 | |
| cysteine | 1185333.64 | 1300458.00 | 1082818.30 | 1021865.14 | |
| cysteine-glutathione disulfide | 225983.10 | 236828.78 | 267559.80 | 310648.14 | |
| cysteinylglycine | 684803.45 | 704449.20 | 707089.20 | 687472.14 | |
| cysteinylglycine disulfide* | 8309305.18 | 9536573.90 | 7157331.30 | 8263979.57 | |
| deoxycarnitine | 1104111.36 | 1439660.90 | 900624.10 | 1191633.43 | |
| diacetylspermidine* | 1216766.18 | 1585948.10 | 1151618.60 | 1124737.43 | |
| dimethylarginine (SDMA + ADMA) | 8534286.09 | 9283445.10 | 7334148.80 | 7522845.57 | |
| dimethylglycine | 2497812.91 | 2709402.20 | 1612947.70 | 2270172.14 | |
| dimethyl sulfone | 2206744.64 | 3052553.60 | 958213.00 | 887107.43 | |
| equol glucuronide | 71013.67 | 86547.86 | 41255.00 | 53988.00 | |
| ergothioneine | 2546277.18 | 2152855.00 | 1238526.56 | 1908305.29 | |
| fructosyllysine | 3870165.36 | 4057592.70 | 3380882.60 | 3349452.43 | |
| gabapentin | - | - | 121905290.00 | - | |
| gamma-glutamyl-2-aminobutyrate | 49657.83 | 49007.60 | 39894.25 | 46828.50 | |
| gamma-glutamyl-alpha-lysine | 527461.58 | 612894.81 | 469830.48 | 568254.77 | |
| gamma-glutamylcitrulline* | 78341.43 | 85168.67 | 57366.20 | 70297.60 | |
| gamma-glutamyl-epsilon-lysine | 126475.93 | 179957.53 | 87688.05 | 148174.90 | |
| gamma-glutamylglutamine | 21494423.45 | 25262353.00 | 20486454.20 | 22311140.71 | |
| gamma-glutamylhistidine | 161395.55 | 185980.80 | 155139.50 | 184341.57 | |
| gamma-glutamylisoleucine* | 122069.40 | 148140.00 | 94695.14 | 122139.00 | |
| gamma-glutamylmethionine | 146836.36 | 159851.60 | 101664.50 | 129470.29 | |
| gamma-glutamylthreonine | 900273.55 | 1365052.90 | 950195.70 | 950483.71 | |
| gamma-glutamyltyrosine | 209635.50 | 237470.80 | 137690.78 | 200760.83 | |
| gamma-glutamylvaline | 608053.36 | 809282.30 | 388142.40 | 690598.86 | |
| glutamate | 3121778.18 | 3117179.60 | 2741124.20 | 2681646.14 | |
| glutamate, gamma-methyl ester | 529111.00 | 710797.80 | 509811.22 | 520788.43 | |
| glutamine | 2166679283.36 | 2579960302.30 | 1938772118.10 | 2086980114.57 | |
| glutamine_degradant* | 11095667.55 | 18998352.60 | 9314966.60 | 12857969.71 | |
| glutarylcarnitine (C5-DC) | 699088.20 | 1491418.40 | 580993.67 | 854169.86 | |
| glycerol 3-phosphate | 3182531.09 | 4250403.30 | 3016366.50 | 3500250.43 | |
| glycerophosphoethanolamine | 474723.09 | 392278.60 | 501585.70 | 392054.14 | |
| glycine | 6938552.00 | 6702558.30 | 5839229.10 | 5579081.43 | |
| guanosine | 663761.64 | 652641.50 | 542392.90 | 564241.00 | |
| histidine | 189700951.27 | 224589239.10 | 178385740.80 | 165405093.43 | |
| homoarginine | 6061659.09 | 7178627.20 | 6419893.10 | 7050124.57 | |
| homocarnosine | 19446629.64 | 15022255.10 | 18728670.20 | 14414210.14 | |
| homostachydrine* | 244113.45 | 273542.20 | 654553.88 | 559633.83 | |
| hydroxyasparagine** | 304884.82 | 375717.30 | 253931.70 | 324616.29 | |
| hydroxybupropion | - | - | 4681051.00 | 638665.00 | |
| hydroxy-N6,N6,N6-trimethyllysine* | 2157224.18 | 2717754.10 | 1858021.40 | 1779365.57 | |
| hypotaurine | 76254.80 | 57440.25 | 96044.57 | 38354.33 | |
| hypoxanthine | 19518714.91 | 17300918.40 | 16266973.10 | 16450292.14 | |
| imidazole lactate | 181118.00 | 177293.40 | 135246.00 | 130012.71 | |
| indoleacetate | 238827.40 | 259913.50 | 160638.70 | 234097.86 | |
| isobutyrylcarnitine (C4) | 1344284.27 | 2014694.80 | 863954.50 | 1433886.29 | |
| isoleucine | 152745980.73 | 180689933.30 | 130770111.60 | 139902268.14 | |
| isovalerylcarnitine (C5) | 214586.40 | 326342.11 | 154225.43 | 337117.50 | |
| kynurenate | 77854.55 | 69964.50 | 74045.00 | 76880.75 | |
| kynurenine | 675363.27 | 652790.30 | 440365.20 | 458469.86 | |
| leucine | 200215818.91 | 225617155.50 | 166674200.50 | 193222930.43 | |
| lidocaine | 26884671.91 | 24747200.50 | 15111631.40 | 17505505.14 | |
| lysine | 246783878.09 | 264002817.10 | 212307494.10 | 237582660.57 | |
| malonylcarnitine | 82439.89 | 78709.10 | 71271.80 | 83539.14 | |
| methionine sulfone | 419480.64 | 313796.20 | 281938.80 | 226302.86 | |
| methylsuccinoylcarnitine | 788916.18 | 1234679.10 | 883191.30 | 1182184.14 | |
| N1-methyladenosine | 2554164.18 | 2321762.70 | 1900407.40 | 2060783.86 | |
| N1-methylinosine | 484726.64 | 487423.30 | 355406.10 | 421845.71 | |
| (N(1) + N(8))-acetylspermidine | 1315472.55 | 1714888.90 | 1107596.40 | 1140478.86 | |
| N2-acetyl,N6-methyllysine | 139328.17 | 236397.57 | 109400.80 | 134782.50 | |
| N2,N2-dimethylguanosine | 704896.55 | 650977.40 | 496434.70 | 570809.14 | |
| N6-carbamoylthreonyladenosine | 624202.27 | 672592.30 | 500599.00 | 556765.14 | |
| N6-methyladenosine | 69084.27 | 69308.50 | 52594.00 | 47177.80 | |
| N6-methyllysine | 26374493.91 | 45790812.50 | 17303876.40 | 8115254.86 | |
| N6,N6-dimethyllysine | 13663130.75 | 12836510.75 | 9096426.00 | - | |
| N6,N6,N6-trimethyllysine | 13001380.00 | 15930968.40 | 10156404.60 | 11776880.43 | |
| N-acetyl-3-methylhistidine* | 3577647.91 | 6428000.70 | 2449519.30 | 4386820.29 | |
| N-acetylarginine | 1196052.27 | 1367853.20 | 923938.90 | 1039481.57 | |
| N-acetylasparagine | 3157056.09 | 4035098.50 | 3179258.20 | 2893179.71 | |
| N-acetyl-aspartyl-glutamate (NAAG) | 27439806.64 | 21237991.80 | 17692330.90 | 16504344.00 | |
| N-acetylcarnosine | 91584.29 | 193202.89 | 83388.50 | 219632.80 | |
| N-acetylglucosamine/N-acetylgalactosamine | 9443821.27 | 11754666.40 | 8356425.80 | 8400835.71 | |
| N-acetylglucosaminylasparagine | 176600.64 | 197683.40 | 170887.60 | 150316.14 | |
| N-acetylglutamine | 5313695.36 | 5970103.00 | 5141509.80 | 5076132.14 | |
| N-acetyl-isoputreanine | 5628172.00 | 6706446.30 | 4447710.10 | 5318318.29 | |
| N-acetylputrescine | 2978718.91 | 3469709.70 | 2364682.90 | 2653439.43 | |
| N-ethylglycinexylidide | 5425838.60 | 3459299.50 | 2057058.86 | 1602389.50 | |
| nicotinamide riboside | 1513701.45 | 1637409.40 | 1328030.10 | 1294522.57 | |
| N-methylproline | 1853068.09 | 1564327.20 | 1180906.67 | 862020.17 | |
| N,N-dimethyl-pro-pro | 7109149.00 | 9643558.60 | 6081394.10 | 7160547.57 | |
| N,N,N-trimethyl-5-aminovalerate | 4259256.18 | 4679014.50 | 3166938.40 | 3540177.29 | |
| N,N,N-trimethyl-alanylproline betaine (TMAP) | 5557341.18 | 8468072.50 | 3746231.90 | 6633139.86 | |
| ornithine | 39409819.91 | 46423480.90 | 37989470.30 | 34335873.00 | |
| phenylalanine | 197239811.55 | 220384429.70 | 176917474.60 | 177384548.29 | |
| phosphate | 2467718.64 | 2607271.80 | 2219978.80 | 2663677.29 | |
| picolinate | 347517.00 | 512393.10 | 225512.86 | 375080.00 | |
| pipecolate | 1640757.64 | 3569501.10 | 1406763.20 | 1198407.86 | |
| pregabalin | - | - | 75117177.00 | - | |
| pro-hydroxy-pro | 747209.82 | 1233484.00 | 637791.70 | 943890.00 | |
| proline | 28228559.73 | 20947741.70 | 14510510.00 | 17523611.71 | |
| propionylcarnitine (C3) | 1471892.73 | 2098828.50 | 1119628.60 | 1824434.29 | |
| pyridoxal | 1482052.73 | 1261118.70 | 1289661.20 | 1444560.43 | |
| ranitidine | - | - | - | 3490034.00 | |
| S-1-pyrroline-5-carboxylate | 3491756.45 | 3579562.90 | 2264665.70 | 2797021.29 | |
| S-allylcysteine | 529916.50 | 562775.44 | 350945.00 | 685876.17 | |
| serine | 107381843.73 | 100802444.90 | 93612776.80 | 86644261.71 | |
| S-methylcysteine sulfoxide | 8655642.45 | 7029113.70 | 4449398.90 | 3632313.71 | |
| spermidine | 386392.09 | 460451.10 | 331438.50 | 355224.00 | |
| stachydrine | 71831643.55 | 52543007.10 | 33328733.70 | 17424526.86 | |
| succinylcarnitine (C4-DC) | 5244876.73 | 6917047.80 | 4046586.80 | 5631672.71 | |
| succinylglutamine | 940233.73 | 1099794.70 | 719563.00 | 929529.00 | |
| theobromine | 33436617.27 | 25348166.56 | 40051742.90 | 17888367.86 | |
| threonine | 188406818.18 | 221087222.50 | 164140460.50 | 149212087.14 | |
| tiglylcarnitine (C5:1-DC) | 257687.70 | 304937.90 | 158072.30 | 251195.43 | |
| trigonelline (N^-methylnicotinate) | 4667532.36 | 2986239.20 | 1480488.40 | 3153268.43 | |
| trimethylamine N-oxide | 7072610.82 | 12616044.00 | 5573885.90 | 14518693.57 | |
| tryptophan betaine | 6725471.00 | 9356888.60 | 6465352.50 | 6399019.50 | |
| tyrosine | 54281235.00 | 55882710.90 | 39302220.20 | 45667016.71 | |
| urea | 296483180.36 | 381452557.80 | 236605329.30 | 290101868.57 | |
| uridine | 9259336.91 | 9424121.30 | 7734813.20 | 7522720.29 | |
| valine | 185587271.64 | 210108821.90 | 131220793.30 | 156593101.43 | |
| X-10457 | 1125582.18 | 1477035.20 | 993706.30 | 1177073.43 | |
| X-11787 | 5398609.27 | 5859193.90 | 3651467.20 | 4335072.86 | |
| X-11795 | 2184054.45 | 1689234.50 | 1605484.30 | 852210.71 | |
| X-12100 | 432024.36 | 475785.00 | 322508.80 | 367600.71 | |
| X-12101 | 628969.00 | 495978.90 | 414220.80 | 390592.71 | |
| X-12127 | 77202.80 | 132094.75 | - | 202035.00 | |
| X-12680 | 708490.36 | 934475.30 | 488052.30 | 604926.86 | |
| X-12689 | 1309485.36 | 1767170.60 | 1109972.90 | 1309295.14 | |
| X-13684 | 143561.45 | 132600.40 | 109967.10 | 99665.71 | |
| X-14056 | 719285.45 | 597346.80 | 660302.30 | 599280.00 | |
| X-16580 | 85319.50 | 74396.00 | 74275.75 | 104484.67 | |
| X-22162 | 1258397.27 | 1072350.80 | 771240.50 | 829284.00 | |
| X-23583 | 2495150.12 | 2498455.70 | 1398197.40 | 1668210.83 | |
| X-23587 | 828005.90 | 1090734.70 | 552011.83 | 1224993.67 | |
| X-23593 | 4894577.09 | 5168286.10 | 4280895.00 | 3954605.86 | |
| X-23639 | 3297500.55 | 1871187.70 | 1461284.30 | 1364974.71 | |
| X-23644 | 3877166.00 | 2995006.10 | 3666197.38 | 4952792.83 | |
| X-23666 | 99447.10 | 132506.88 | 83432.33 | 85801.00 | |
| X-23739 | 707488.36 | 991777.20 | 663463.60 | 738130.86 | |
| X-24228 | 2161060.91 | 2658349.20 | 1875130.00 | 2107909.57 | |
| X-24408 | 127184.27 | 197955.10 | 75646.78 | 124977.14 | |
| X-24411 | 1540378.86 | 1354655.00 | 1145543.33 | 996084.71 | |
| X-24422 | 210955.18 | 306450.20 | 163515.80 | 214341.86 | |
| X-24520 | 72748.89 | 54839.75 | 58484.75 | 56898.60 | |
| X-24728 | 198612.82 | 272363.80 | 163875.40 | 194739.43 | |
| X-24736 | 375781.57 | 184615.62 | 241370.75 | 202955.50 | |
| X-25109 | 1726873.73 | 1853987.70 | 1876877.60 | 1278552.00 | |
| X-25217 | 7576289.14 | 5145517.86 | 1591494.67 | 3667653.00 | |
| X-25271 | 816482.00 | 878761.83 | 127843.00 | 308153.00 | |
| X-25790 | 13594856.82 | 16075782.50 | 11139294.90 | 7650553.43 | |
| X-25936 | 3112762.64 | 3706610.00 | 2821271.80 | 2930894.14 | |
| X-25983 | 362954.09 | 271581.00 | 248400.00 | 236748.57 | |
| X-26008 | 1470081.80 | 1763166.20 | 1343875.10 | 1102226.14 |
Factors:
| F1 | Sample source:CSF | MECFS_STATUS:Healthy volunteer | SEX:F |
| F2 | Sample source:CSF | MECFS_STATUS:Healthy volunteer | SEX:M |
| F3 | Sample source:CSF | MECFS_STATUS:MECFS | SEX:F |
| F4 | Sample source:CSF | MECFS_STATUS:MECFS | SEX:M |
