Data for ST003520
| Metabolite structure | All data | F1 | F2 | F3 |
|---|---|---|---|---|
| 1-methyl-4-imidazoleacetate | 835819.52 | 2254500.56 | 2696939.77 | |
| 1-methyl-5-imidazoleacetate | 658882.68 | 3720818.50 | 2713782.97 | |
| 1-methylhistidine | 10447964.31 | 29400450.35 | 20214676.35 | |
| 1-methylnicotinamide | 1413906.35 | 2814860.38 | 1709258.48 | |
| 1-ribosyl-imidazoleacetate* | 358109.16 | 1190732.04 | 1107529.21 | |
| 2-aminoadipate | 528238.12 | 861765.26 | 848883.62 | |
| 2-aminobutyrate | 56123571.77 | 160318219.47 | 129753662.20 | |
| 2-aminoheptanoate | 940066.40 | 1721648.31 | 1636535.64 | |
| 2-methylbutyrylcarnitine (C5) | 492962.62 | 1827244.74 | 1447313.67 | |
| 2-methylserine | 3725958.62 | 5994013.85 | 5891102.88 | |
| 2^-O-methylcytidine | 520546.61 | 663379.22 | 755077.42 | |
| 2-oxoarginine* | 445224.54 | 3362739.35 | 2384479.04 | |
| 2-pyrrolidinone | 869432.73 | 2918563.07 | 2608215.97 | |
| 3-amino-2-piperidone | 421052.50 | 1026247.93 | 1214732.80 | |
| 3-aminoisobutyrate | 9405891.62 | 15664164.90 | 13873922.63 | |
| 3-formylindole | 1430015.96 | 3883397.82 | 2779818.10 | |
| 3-hydroxybutyroylglycine** | 1059219.54 | 1156482.07 | 991582.72 | |
| 3-hydroxyhexanoylcarnitine (1) | 397022.42 | 902348.86 | 835915.03 | |
| 3-hydroxyoctanoylcarnitine (1) | 793260.42 | 2266061.00 | 2903235.48 | |
| 3-hydroxyoctanoylcarnitine (2) | 330138.15 | 922762.94 | 1041557.63 | |
| 3-hydroxystachydrine* | 2620573.76 | 7139021.54 | 9833854.59 | |
| 3-methoxytyrosine | 1148491.50 | 1362578.69 | 2896950.04 | |
| 3-methylcytidine | 146685.15 | 364946.65 | 246285.63 | |
| 3-methylglutarylcarnitine (2) | 220911.27 | 742270.31 | 900371.48 | |
| 3-methylhistidine | 37939094.92 | 215658941.04 | 121917817.03 | |
| 3-phosphoglycerate | 386457.88 | 561549.34 | 1416399.25 | |
| 3-ureidopropionate | 276335.00 | 325512.60 | 377255.72 | |
| 4-acetamidobutanoate | 2729160.19 | 4213617.82 | 3936613.14 | |
| 4-acetamidophenol | 195340732.33 | 89902842.50 | 50352961.80 | |
| 4-guanidinobutanoate | 359162.48 | 1623849.89 | 1414744.64 | |
| 4-hydroxyglutamate | 182895.88 | 522579.62 | 444155.64 | |
| 4-imidazoleacetate | 303346.25 | 788009.15 | 750126.76 | |
| "5,6-dihydrothymine" | 924194.88 | 1362653.29 | 1276918.34 | |
| 5-(galactosylhydroxy)-lysine | 288818.43 | 549711.23 | 508535.61 | |
| 5-hydroxylysine | 2048834.27 | 4339327.67 | 3716687.29 | |
| 5-methylthioadenosine (MTA) | 384010.40 | 1067822.92 | 879093.99 | |
| 6-bromotryptophan | 289386.29 | 591780.06 | 525895.66 | |
| 7-methylguanine | 2826605.58 | 4186642.53 | 3999720.71 | |
| 7-methylxanthine | 256262.64 | 1424015.16 | 2065691.95 | |
| acetylcarnitine (C2) | 287550776.46 | 471006744.65 | 431884713.82 | |
| adenine | 357484.12 | 373038.58 | 497452.97 | |
| adenosine 5^-diphosphate (ADP) | 560774.00 | 307873.00 | 1771622.11 | |
| adenosine 5^-monophosphate (AMP) | 1629905.04 | 2466871.32 | 6938009.83 | |
| adipoylcarnitine (C6-DC) | 795994.50 | 1327391.60 | 932927.54 | |
| alanine | 482949910.35 | 899786782.38 | 745590205.04 | |
| alliin | 288513.27 | 1123939.82 | 545199.44 | |
| anthranilate | 273324.69 | 231442.75 | 360102.44 | |
| argininate* | 199121.00 | 1561873.73 | 1212342.68 | |
| arginine | 526330575.19 | 885701630.39 | 639420919.48 | |
| asparagine | 82387274.54 | 212255007.89 | 167722360.79 | |
| aspartate | 4326290.77 | 11569201.44 | 21490593.27 | |
| beta-alanine | 12561508.81 | 33952564.38 | 26532393.41 | |
| beta-hydroxyisovaleroylcarnitine | 757680.81 | 3336133.29 | 2468232.79 | |
| betaine | 566933767.81 | 1021681365.07 | 944191256.16 | |
| butyrylcarnitine (C4) | 3249453.65 | 7959594.14 | 8017558.96 | |
| caffeine | 789973.22 | 10284403.41 | 16480643.21 | |
| carboxyethyl-GABA | 121214.50 | 350105.13 | 338332.42 | |
| carnitine | 758048127.31 | 1316549338.08 | 1249073704.93 | |
| carnosine | 316822.29 | 1203986.49 | 478441.65 | |
| C-glycosyltryptophan | 554039.77 | 1013474.15 | 1071689.95 | |
| choline | 122398811.23 | 484138212.36 | 414466382.88 | |
| choline phosphate | 3740926.69 | 3578138.67 | 7539750.59 | |
| citrulline | 95673382.81 | 200417321.97 | 187734022.59 | |
| cortisone | 71595.15 | 332883.85 | 325133.40 | |
| cotinine | 62641.00 | 3370069.83 | 1570463.04 | |
| creatine | 329277063.23 | 691136542.53 | 817256995.11 | |
| creatinine | 455860285.23 | 1045093987.47 | 750299224.96 | |
| "cys-gly, oxidized" | 1438876.00 | 2710000.53 | 2683045.46 | |
| cystathionine | 142448.05 | 496160.79 | 399530.02 | |
| cysteine | 4040525.31 | 8848976.11 | 8276592.73 | |
| cysteine-glutathione disulfide | 229461.68 | 509092.83 | 535049.95 | |
| cysteine s-sulfate | 1786468.88 | 1151664.18 | 1425293.28 | |
| cysteine sulfinic acid | 357737.84 | 199338.29 | 239939.39 | |
| cysteinylglycine | 1870104.62 | 2437046.79 | 2938687.20 | |
| cysteinylglycine disulfide* | 25357939.27 | 47927288.61 | 41770011.26 | |
| cytidine | 273973.29 | 166211.32 | 227714.72 | |
| deoxycarnitine | 18658282.85 | 58501259.94 | 47164211.25 | |
| dimethylarginine (SDMA + ADMA) | 29447801.92 | 44344592.00 | 38956946.92 | |
| dimethylglycine | 18111834.69 | 59067145.38 | 50343670.41 | |
| dimethyl sulfone | 1264217.65 | 2101421.87 | 2297788.14 | |
| ectoine | 573288.90 | 2082740.75 | 1412942.56 | |
| ergothioneine | 585859.19 | 2515372.94 | 2306331.28 | |
| ethyl beta-glucopyranoside | 683186.94 | 1481504.88 | 1219712.58 | |
| formiminoglutamate | 200806.09 | 1499837.54 | 1279982.88 | |
| fructosyllysine | 16629268.38 | 15148755.46 | 14258356.66 | |
| gamma-glutamylalanine | 242912.92 | 450498.72 | 346380.59 | |
| gamma-glutamyl-alpha-lysine | 1342838.38 | 4042543.72 | 2993262.97 | |
| gamma-glutamylcitrulline* | 236880.92 | 1094863.33 | 1196858.38 | |
| gamma-glutamylglutamate | 182631.83 | 840769.11 | 723774.12 | |
| gamma-glutamylglutamine | 21424945.65 | 35322137.85 | 35069572.11 | |
| gamma-glutamylglycine | 3496997.54 | 3935164.68 | 3752173.37 | |
| gamma-glutamylhistidine | 227529.92 | 655452.14 | 558973.03 | |
| gamma-glutamylisoleucine* | 220288.58 | 726061.38 | 550453.62 | |
| gamma-glutamylleucine | 649355.69 | 1247480.62 | 1042561.23 | |
| gamma-glutamylmethionine | 497593.92 | 2004480.60 | 1268343.44 | |
| gamma-glutamylphenylalanine | 257141.42 | 500857.39 | 436768.16 | |
| gamma-glutamylthreonine | 878307.54 | 2580717.90 | 1980276.52 | |
| gamma-glutamyltyrosine | 377762.58 | 1275873.89 | 1120443.78 | |
| gamma-glutamylvaline | 1086209.12 | 3328380.94 | 2577915.64 | |
| glutamate | 177843989.15 | 298949885.22 | 388283876.01 | |
| "glutamate, gamma-methyl ester" | 931933.74 | 708508.73 | 898838.23 | |
| glutamine | 2331676063.65 | 2471917869.86 | 2192233787.29 | |
| glutamine conjugate of C7H12O2* | 723992.12 | 871569.46 | 1570286.87 | |
| glutamine_degradant* | 95135773.08 | 100312486.92 | 72648818.92 | |
| glutarylcarnitine (C5-DC) | 1008619.62 | 2150953.33 | 1620758.36 | |
| glycerol 3-phosphate | 233475.24 | 308645.01 | 302276.67 | |
| glycerophosphoethanolamine | 2014087.27 | 2007160.10 | 4565568.32 | |
| glycerophosphorylcholine (GPC) | 46581806.46 | 34700531.65 | 61859570.27 | |
| glycine | 108229512.04 | 158855154.96 | 147101565.95 | |
| guanidinoacetate | 1710325.12 | 2456879.85 | 2149827.46 | |
| hexanoylcarnitine (C6) | 1794460.00 | 3043223.15 | 2959567.97 | |
| histidine betaine (hercynine)* | 91758.64 | 308586.22 | 305568.01 | |
| homoarginine | 9434175.77 | 26432248.10 | 16242395.46 | |
| homocitrulline | 229038.71 | 318566.19 | 329493.53 | |
| homostachydrine* | 2335549.62 | 7646077.06 | 8702183.08 | |
| hydroxyasparagine** | 973283.15 | 1577714.24 | 1277996.05 | |
| "hydroxy-N6,N6,N6-trimethyllysine*" | 408217.19 | 1004660.11 | 888456.07 | |
| imidazole lactate | 2914104.23 | 5375881.17 | 4463905.19 | |
| imidazole propionate | 550223.08 | 869209.25 | 728833.15 | |
| iminodiacetate (IDA) | 136009234.38 | 228659515.81 | 90529255.24 | |
| indolin-2-one | 154351.53 | 338271.39 | 279402.32 | |
| inosine | 368437.55 | 546786.52 | 4311642.87 | |
| inosine 5^-monophosphate (IMP) | 133740.00 | 250285.29 | 1060616.43 | |
| isobutyrylcarnitine (C4) | 1573534.50 | 7692215.28 | 8014630.03 | |
| isoleucine | 440353278.69 | 1093631194.39 | 925729246.42 | |
| isovalerylcarnitine (C5) | 1475164.19 | 8489672.67 | 5435804.69 | |
| kynurenate | 639518.35 | 2383785.24 | 1954302.98 | |
| kynurenine | 12843885.88 | 27396392.00 | 25424776.71 | |
| lanthionine | 79728.27 | 407688.79 | 444294.20 | |
| leucine | 456327869.46 | 1237931513.69 | 1000198112.73 | |
| leucylglycine | 181344.96 | 277066.58 | 296921.88 | |
| lidocaine | 97398840.46 | 52321966.75 | 89465372.55 | |
| lysine | 620901627.23 | 945512540.43 | 762710040.80 | |
| methionine | 275933485.77 | 442816365.82 | 330978704.25 | |
| methionine sulfone | 1333918.92 | 2490408.51 | 2063581.23 | |
| methionine sulfoxide | 8070403.04 | 10935085.06 | 9975615.81 | |
| N1-methyladenosine | 1514632.31 | 3719546.51 | 3063544.77 | |
| N1-methylinosine | 308523.73 | 644688.92 | 640216.85 | |
| (N(1) + N(8))-acetylspermidine | 1312081.00 | 1557792.03 | 1236017.78 | |
| "N2-acetyl,N6-methyllysine" | 398139.42 | 1351619.43 | 994354.90 | |
| "N2-acetyl,N6,N6-dimethyllysine" | 530299.39 | 1818055.37 | 1569641.35 | |
| "N2,N2-dimethylguanosine" | 291652.15 | 886248.28 | 745785.88 | |
| N4-acetylcytidine | 417801.42 | 1039581.25 | 1061031.89 | |
| N6-methyllysine | 76132074.77 | 99219199.58 | 79413433.45 | |
| "N6,N6-dimethyllysine" | 17978574.15 | 26109675.22 | 24910001.43 | |
| "N6,N6,N6-trimethyllysine" | 9792236.15 | 24486529.78 | 19137297.29 | |
| N-acetyl-2-aminoadipate | 101807.67 | 388302.37 | 358282.57 | |
| N-acetylarginine | 679153.31 | 4079514.01 | 3089371.19 | |
| N-acetylasparagine | 358364.00 | 296105.19 | 214412.04 | |
| N-acetyl-aspartyl-glutamate (NAAG) | 169053.62 | 253572.06 | 394190.61 | |
| N-acetylcarnosine | 656724.88 | 2600300.90 | 1365398.33 | |
| N-acetylglucosamine/N-acetylgalactosamine | 474493.42 | 454108.41 | 570214.60 | |
| N-acetylglucosaminylasparagine | 137395.50 | 258300.54 | 258503.89 | |
| N-acetylglycine | 3354243.88 | 3765849.43 | 3710705.94 | |
| N-acetylhistidine | 184722.58 | 450673.87 | 468592.66 | |
| N-acetylisoleucine | 272653.44 | 603816.23 | 546377.54 | |
| N-acetyl-isoputreanine | 3738449.08 | 5874152.29 | 5101107.65 | |
| N-acetylleucine | 329426.08 | 872393.35 | 664569.68 | |
| N-acetylneuraminate | 1387021.35 | 1065764.01 | 1918565.03 | |
| N-acetylphenylalanine | 138882.04 | 580286.96 | 444410.23 | |
| N-acetylproline | 290065.09 | 699513.44 | 761183.91 | |
| N-acetylputrescine | 972476.04 | 2755395.14 | 2283457.09 | |
| N-acetyl sulfapyridine | - | - | 97799701.00 | |
| N-acetyltryptophan | 64278.91 | 639359.18 | 625208.56 | |
| N-ethylglycinexylidide | 5888520.76 | 6579185.18 | 1924354.92 | |
| nicotinamide | 2839876.77 | 3194193.32 | 7581119.99 | |
| N-methylpipecolate | 4339360.65 | 5440746.22 | 4535462.29 | |
| N-methylproline | 14769223.46 | 47321305.03 | 37115928.92 | |
| "N,N-dimethylalanine" | 9742031.84 | 27897425.43 | 29073170.53 | |
| "N,N-dimethyl-pro-pro" | 3645454.27 | 6851989.17 | 5632690.41 | |
| "N,N,N-trimethyl-5-aminovalerate" | 28457069.23 | 78117433.53 | 94393190.71 | |
| "N,N,N-trimethyl-alanylproline betaine (TMAP)" | 27420062.62 | 44605429.79 | 31724633.34 | |
| ondansetron | 2731278.00 | 6555434.00 | 4456619.00 | |
| ornithine | 101067368.38 | 250423673.08 | 345301392.36 | |
| oxindolylalanine | 264444.12 | 1759606.21 | 1325861.14 | |
| phenylacetylcarnitine | 399943.71 | 2082495.17 | 1439811.20 | |
| phenylalanine | 527056919.54 | 1043668312.93 | 963671753.59 | |
| phosphate | 219093865.50 | 396297729.44 | 379797721.01 | |
| phosphoethanolamine | 2512145.73 | 2847661.46 | 10667047.99 | |
| picolinate | 424623.75 | 924459.58 | 852721.97 | |
| pipecolate | 19972776.27 | 63738568.83 | 53990818.10 | |
| pro-hydroxy-pro | 27068770.19 | 51528507.62 | 41167627.12 | |
| proline | 1039159904.58 | 2281988265.31 | 2101035483.06 | |
| prolylglycine | 334923.58 | 1363493.07 | 1040661.76 | |
| propionylcarnitine (C3) | 5964962.00 | 44633464.00 | 35694334.71 | |
| pseudoephedrine | - | - | 15003004.00 | |
| pyridoxal | 778629.77 | 840224.50 | 802633.20 | |
| pyrraline | 47689.25 | 486837.11 | 436888.70 | |
| quinolinate | 853115.62 | 723765.76 | 1518451.40 | |
| (R)-3-hydroxybutyrylcarnitine | 3021917.29 | 3250355.02 | 2225294.59 | |
| ranitidine | - | 33188840.00 | 24868416.17 | |
| ranitidine N-oxide* | - | 4655693.00 | 3172902.33 | |
| S-1-pyrroline-5-carboxylate | 1018986.00 | 6346944.61 | 2725549.36 | |
| (S)-3-hydroxybutyrylcarnitine | 1291229.52 | 2305914.72 | 2260087.43 | |
| S-allylcysteine | 728728.12 | 2896667.07 | 1754285.85 | |
| sarcosine | 38069960.15 | 64069599.07 | 22021606.99 | |
| S-carboxyethylcysteine | 52077.42 | 311462.94 | 221822.79 | |
| serine | 148522172.42 | 283112709.11 | 244176007.66 | |
| serotonin | 251375.93 | 1409185.82 | 5746245.33 | |
| S-methylcysteine sulfoxide | 4870907.73 | 6451551.38 | 4954316.97 | |
| spermidine | 321918.31 | 302934.33 | 615285.43 | |
| stachydrine | 179688372.15 | 229085474.76 | 212396891.12 | |
| succinylcarnitine (C4-DC) | 346657.62 | 1087662.87 | 834964.17 | |
| taurine | 27180580.46 | 54029985.85 | 122009788.76 | |
| theobromine | 1068213.17 | 42053315.48 | 52197182.80 | |
| theophylline | 260416.31 | 1855590.87 | 1702412.40 | |
| thioproline | 3352774.85 | 6431842.82 | 4741864.48 | |
| threonine | 307740191.19 | 566925945.44 | 447928284.65 | |
| tiglylcarnitine (C5:1-DC) | 169011.38 | 941790.87 | 700744.89 | |
| trans-4-hydroxyproline | 54745093.58 | 131385068.97 | 109546910.19 | |
| trans-urocanate | 2676525.38 | 5116647.75 | 3292556.82 | |
| trigonelline (N^-methylnicotinate) | 3588380.00 | 26418410.98 | 14411504.84 | |
| trimethylamine N-oxide | 10727929.38 | 30763686.47 | 28362558.39 | |
| tryptophan | 263156902.96 | 565846631.86 | 482271186.09 | |
| tryptophan betaine | 8385144.17 | 36276066.82 | 41048754.60 | |
| tyrosine | 161406301.38 | 347970032.99 | 306598798.92 | |
| urea | 88756809.08 | 236524486.93 | 274903567.59 | |
| valine | 868105668.15 | 1968166147.99 | 1655070317.38 | |
| X-11787 | 29810977.50 | 37421603.40 | 37604807.53 | |
| X-11795 | 7307662.92 | 9625038.93 | 9206575.22 | |
| X-12096 | 231468.25 | 283012.67 | 313564.56 | |
| X-12100 | 1670076.15 | 3057490.90 | 3416913.86 | |
| X-12101 | 7573091.81 | 8255825.71 | 6809978.71 | |
| X-12112 | 1283652.67 | 14011927.82 | 13389345.94 | |
| X-12462 | 8036240.46 | 30057056.19 | 4784010.04 | |
| X-12680 | 1782711.19 | 1671400.57 | 2942366.25 | |
| X-12798 | 713878.69 | 2768673.96 | 2889185.53 | |
| X-13507 | 121847.21 | 354376.66 | 295727.99 | |
| X-13684 | 289748.19 | 670826.50 | 512144.72 | |
| X-14056 | 24692050.38 | 29904342.53 | 25552818.38 | |
| X-15461 | 873204.73 | 2872745.50 | 2668116.30 | |
| X-15503 | 155642.26 | 354830.44 | 469204.46 | |
| X-16397 | 285274.52 | 483899.55 | 522336.90 | |
| X-16580 | 921393.77 | 1262718.83 | 1007512.74 | |
| X-22162 | 1838467.19 | 3838773.60 | 3791467.20 | |
| X-23583 | 588182.00 | 3271172.51 | 2533486.11 | |
| X-23587 | 987983.09 | 3474134.30 | 2197976.00 | |
| X-23593 | 1074453.12 | 2530547.12 | 2267170.47 | |
| X-23636 | 71274927.19 | 107466886.07 | 80578892.04 | |
| X-23639 | 4204013.35 | 13199314.04 | 11280604.30 | |
| X-23644 | 2566714.68 | 15919863.64 | 29151487.39 | |
| X-23654 | 493538.77 | 2012077.19 | 1437100.12 | |
| X-23659 | 524278.26 | 1445095.15 | 1317589.55 | |
| X-23665 | 1001912.36 | 993458.51 | 647228.30 | |
| X-23739 | 318006.50 | 734386.40 | 599576.26 | |
| X-23780 | 260415.95 | 1922123.71 | 1168194.65 | |
| X-24241 | 4621851.80 | 6536904.78 | 9495468.07 | |
| X-24243 | 785278.46 | 3592435.20 | 2057861.09 | |
| X-24422 | 164900.60 | 333966.44 | 328681.48 | |
| X-24456 | 85518.92 | 200232.10 | 204244.68 | |
| X-24473 | 663156.40 | 1448142.97 | 1274755.67 | |
| X-24475 | 3211954.77 | 2499711.24 | 2693820.84 | |
| X-24518 | 84289.00 | 200354.00 | 203540.45 | |
| X-24728 | 219846.12 | 483124.15 | 430543.74 | |
| X-24736 | 328666.62 | 611558.76 | 683473.43 | |
| X-24812 | 89327.29 | 263142.37 | 226902.30 | |
| X-24970 | 65774774.31 | 123222875.62 | 93178354.87 | |
| X-25172 | 17525236.92 | 40765526.79 | 19783693.23 | |
| X-25265 | 33542294.12 | 16133429.06 | 17124853.78 | |
| X-25267 | 606527.09 | 3335096.85 | 2147301.70 | |
| X-25271 | 2084984.24 | 5163211.58 | 5361663.73 | |
| X-25343 | 4198961.96 | 2746516.21 | 3418762.84 | |
| X-25419 | 404603.33 | 881628.41 | 665614.77 | |
| X-25420 | 756915.62 | 1007096.90 | 992159.62 | |
| X-25422 | 532430.71 | 1162906.72 | 1914836.35 | |
| X-25519 | 865219.73 | 664927.21 | 551936.71 | |
| X-25520 | 810363.00 | 1844414.04 | 1283743.54 | |
| X-25790 | 1219121.08 | 2348540.57 | 2061904.10 | |
| X-25810 | 1153637.54 | 1964654.14 | 1755948.82 | |
| X-25948 | 91122.43 | 220871.52 | 232759.28 | |
| X-25957 | 5040559.81 | 7047353.24 | 7053014.00 | |
| X-26058 | 403820.45 | 836202.34 | 748578.31 | |
| X-26097 | 169928.04 | 514877.67 | 503495.29 | |
| xanthurenate | 76140.60 | 469075.92 | 322436.80 |
Factors:
| F1 | Sample source:EDTA plasma | Group:Crohn's Disease |
| F2 | Sample source:EDTA plasma | Group:Healthy_Control |
| F3 | Sample source:EDTA plasma | Group:JIA |
