Data for ST004377
| Metabolite structure | All data | F1 | F2 | F3 | F4 |
|---|---|---|---|---|---|
| 1,2-Benzisothiazol-3(2H)-one | 278580.86 | 251735.36 | 349656.82 | 433284.48 | |
| 1,3-Dihydro-(2H)-indol-2-one | 567671.07 | 403660.47 | 619527.06 | 661183.06 | |
| 1-[(5-Amino-5-carboxypentyl)amino]-1-deoxyfructose | 389439.06 | 172803.36 | 505595.06 | 701338.12 | |
| 1-Aminocyclopropanecarboxylic acid | 1059336.25 | 1102755.55 | 1365812.37 | 1693127.54 | |
| 1H-Imidazole-1-acetic acid | 790276.83 | 915378.23 | 896493.62 | 966215.03 | |
| 1-(Hydroxymethyl)-5,5-dimethyl-2,4-imidazolidinedione | 2513064.58 | 3082449.66 | 3588133.28 | 4182689.78 | |
| 1-Isothiocyanato-7-(methylsulfinyl)heptane | 209108.03 | 278691.92 | 270957.34 | 684215.85 | |
| 1-Isothiocyanato-7-(methylthio)heptane | 100701.55 | 116125.31 | 262783.23 | 80410.84 | |
| 1-Methyladenosine | 18240.76 | 27882.52 | 25585.90 | 49559.38 | |
| 1-Methylhistidine | 2120432.88 | 1819478.56 | 2023422.56 | 2036976.51 | |
| 1-Nitroheptane | 9509650.27 | 4726623.29 | 9168206.18 | 4579985.05 | |
| 1-Pyrroline-5-carboxylic acid | 2758696.04 | 358843.54 | 3076882.56 | 1383711.36 | |
| 1-(sn-Glycero-3-phospho)-1D-myo-inositol | 325718.77 | 334660.54 | 716793.04 | 803887.65 | |
| 2,5-Dihydro-2,4,5-trimethyloxazole | 3811478.98 | 3217025.77 | 6648744.07 | 4796438.91 | |
| 2-Acetylpyrazine | 2533752.32 | 2145458.54 | 2571552.50 | 2871306.88 | |
| 2-Aminobenzoic acid | 293791.37 | 383543.77 | 283274.52 | 299758.34 | |
| 2-Aminomuconic acid | 623227.98 | 535072.19 | 461750.17 | 363408.16 | |
| 2-Furoic acid | 1887575.30 | 1593996.09 | 2198451.22 | 1419703.84 | |
| 2^-Hydroxyacetanilide | 2175102.44 | 1499114.25 | 2351019.85 | 2478961.98 | |
| 2-Hydroxyadipic acid | 9222311.26 | 7692177.56 | 9441751.34 | 8707450.82 | |
| 2-Hydroxyvaleric acid | 266272.74 | 245886.50 | 266333.26 | 272848.00 | |
| 2-[(Methylthio)methyl]-2-butenal | 33041457.41 | 56494663.88 | 48100462.12 | 43615581.33 | |
| 2-O-Caffeoylarbutin | 721785.38 | 962308.26 | 1142549.74 | 1629767.43 | |
| (2S,4S)-Pinnatanine | 643896.31 | 1182290.93 | 1023630.15 | 1722859.62 | |
| 3-Hydroxyisovalerylcarnitine | 558973.49 | 339554.13 | 511619.91 | 272424.62 | |
| 3-Hydroxymethylglutaric acid | 1744689.92 | 1712295.62 | 2379316.42 | 2366372.08 | |
| 3-Methylglutaconic acid | 7383912.16 | 5855252.54 | 6469060.99 | 5980743.31 | |
| 3-Methylhistidine | 762103.46 | 597283.85 | 763170.27 | 784142.23 | |
| 3-Methyl sulfolene | 13969812.88 | 13170592.95 | 16900153.35 | 16974720.22 | |
| 3-O-Caffeoyl-1-O-methylquinic acid | 11025259.20 | 6183725.54 | 8690804.03 | 8131330.32 | |
| 3-O-Feruloylquinic acid | 252143.32 | 219880.76 | 879805.26 | 621571.64 | |
| 3-Phosphoglyceric acid | 8174326.67 | 14798160.33 | 11353112.67 | 8807350.50 | |
| 3-Sulfinato-L-alaninate | 37633.82 | 41922.09 | 940379.58 | 1633559.21 | |
| 4^,5,6-Trimethylscutellarein 7-glucoside | 5737667.38 | 3588644.53 | 5977770.97 | 2767920.03 | |
| 4-Acetamidobutanoic acid | 185822.91 | 158418.46 | 190940.00 | 201535.30 | |
| 4-Amino-3-hydroxybutyrate | 70245417.21 | 71833265.19 | 81566667.59 | 82123519.64 | |
| 4-Guanidinobutanoic acid | 1058030.42 | 857436.92 | 1062056.15 | 742642.21 | |
| 4-Hydroxyproline | 1250211.95 | 1312246.47 | 1568578.54 | 1549508.45 | |
| 4-Pyridoxic acid | 61562.56 | 48109.34 | 53541.01 | 55222.13 | |
| 4-Trimethylammoniobutanoic acid | 11372833.67 | 5672156.83 | 10481127.00 | 5340477.83 | |
| 5,6-Dihydrouridine | 763165.96 | 718125.70 | 962907.29 | 930232.72 | |
| 5-Aminoimidazole ribonucleotide | 306927.20 | 210048.21 | 167180.80 | 190846.46 | |
| 5-Aminolevulinic acid | 328722.81 | 98463.28 | 436008.73 | 382235.38 | |
| 5-Aminopentanoic acid | 30506685.30 | 11116190.90 | 22890355.73 | 11657263.21 | |
| 5^-Methoxycurcumin | 2526845.17 | 3578156.03 | 3101904.52 | 2753276.37 | |
| 5^-Methylthioadenosine | 2489097.03 | 434481.53 | 2226634.54 | 1790115.63 | |
| 5-Thymidylic acid | 99694.49 | 78438.26 | 109491.05 | 106253.21 | |
| 6-(2-Carboxyethyl)-7-hydroxy-2,2-dimethyl-4-chromanone gluco... | 406574.27 | 25686.18 | 313370.82 | 9493.97 | |
| 6,8-Dihydroxypurine | 1178882.13 | 1121061.64 | 1269994.26 | 1395002.45 | |
| 6-Chloro-N-(1-methylethyl)-1,3,5-triazine-2,4-diamine | 5905613.58 | 5243310.40 | 6442483.38 | 6765992.96 | |
| 6-Phosphogluconic acid | 192237.36 | 250313.00 | 397242.02 | 112565.88 | |
| 7,8-Dehydro-beta-micropteroxanthin | 1008657.56 | 380547.81 | 783338.48 | 599423.05 | |
| 7-Acetoxy-6-methoxycoumarin | 295782.87 | 202673.83 | 229764.29 | 234834.88 | |
| 7-beta-D-Glucopyranosyloxybutylidenephthalide | 49282812.09 | 3324152.51 | 41655499.05 | 1328514.43 | |
| 8-[(Aminomethyl)sulfanyl]-6-sulfanyloctanoic acid | 6346281.23 | 3298582.83 | 10298036.97 | 13422731.85 | |
| 8-Oxo-dGTP | 1410292.66 | 1713331.85 | 1719165.26 | 787048.58 | |
| Acetoacetic acid | 5857874.75 | 5651774.78 | 7122661.78 | 5834197.93 | |
| Acetohydroxamic Acid | 955824.76 | 964087.82 | 1116004.97 | 1127298.59 | |
| Acetylcholine | 62747.31 | 51152.59 | 68778.66 | 64373.37 | |
| Acetylcysteine | 145175.48 | 278484.04 | 228434.29 | 326142.88 | |
| Acetylglycine | 560001.07 | 265971.38 | 932412.92 | 1134370.73 | |
| Acetylhomoserine | 1989467.89 | 1386186.00 | 2962309.80 | 3172522.75 | |
| Adenine | 1013544.33 | 2381179.52 | 1113134.34 | 1250404.91 | |
| Adenosine | 32361.60 | 41115.69 | 36173.48 | 51383.84 | |
| Adenosine 3^,5^-diphosphate | 1677081.80 | 1765974.97 | 2108153.77 | 940880.16 | |
| Adenosine monophosphate | 358922.28 | 188280.21 | 402272.66 | 574586.41 | |
| Adenosine triphosphate | 7769992.33 | 8626610.17 | 10370696.00 | 4430898.25 | |
| ADP | 2326620.17 | 1777774.67 | 3040024.08 | 2591826.67 | |
| ADP-glucose | 60062.73 | 81829.00 | 92062.60 | 83606.43 | |
| Afzelechin 7-apioside | 213784.93 | 53222.00 | 251347.38 | 116492.32 | |
| Alanylglycine | 39454.16 | 52096.56 | 130963.00 | 33795.42 | |
| Alanyl-Histidine | 687159.83 | 593878.95 | 678707.78 | 664875.85 | |
| Allantoin | 1107357.44 | 936445.69 | 1295574.54 | 1247920.21 | |
| Alpha-D-Glucose | 26186.30 | 9346.54 | 10717.13 | 11105.32 | |
| alpha-Ketoisovaleric acid | 2648694.38 | 1655482.74 | 2977245.91 | 2352098.28 | |
| Aminoadipic acid | 301651.35 | 430183.34 | 711894.44 | 970506.92 | |
| Anserine | 10219.73 | 8234.25 | 7772.63 | 9967.03 | |
| Argininic acid | 436189.44 | 411288.65 | 538134.07 | 511645.32 | |
| Argininosuccinic acid | 128760.78 | 107592.51 | 145228.17 | 79297.78 | |
| Aspartyl-Aspartate | 978329.64 | 922559.29 | 1298876.74 | 1213591.38 | |
| Aspartyl-Glutamate | 2632071.83 | 2401662.82 | 3675832.17 | 3479262.06 | |
| Aspartylglycosamine | 1708551.20 | 1381626.95 | 1718778.42 | 1623976.41 | |
| Aspartyl-Proline | 265519.09 | 309285.35 | 395800.96 | 413918.27 | |
| Asymmetric dimethylarginine | 671221.94 | 544159.96 | 902588.38 | 743446.27 | |
| Austalide B | 1224900.86 | 646575.81 | 1203893.73 | 882267.92 | |
| Berberrubine | 216064.48 | 317897.06 | 214802.49 | 553114.92 | |
| beta-Alanine | 890997.73 | 482255.73 | 897593.27 | 331270.53 | |
| Beta-Citryl-L-glutamic acid | 16508859.47 | 18285051.58 | 20466681.72 | 20532357.38 | |
| Beta-Guanidinopropionic acid | 151789.91 | 32495.53 | 53351.66 | 43986.27 | |
| Betaine | 29232540.00 | 11856650.67 | 22330769.33 | 12551090.67 | |
| Butyrylcarnitine | 9038602.00 | 6486418.50 | 12948404.67 | 9511521.33 | |
| Calebin A | 958174.74 | 897127.96 | 1403810.86 | 1615685.00 | |
| Capric acid | 679024.32 | 630091.16 | 736014.99 | 648060.06 | |
| Caprylic acid | 1772725.00 | 1674518.62 | 1913628.50 | 1734422.71 | |
| Carnosine | 859840.92 | 705459.31 | 848476.48 | 818127.96 | |
| Casimiroin | 364725.07 | 271583.03 | 690466.47 | 524450.55 | |
| CDP | 341019.39 | 234900.49 | 351978.21 | 290097.57 | |
| Cepharadione A | 358217.09 | 364308.59 | 283065.26 | 389790.09 | |
| Cinnamic acid | 341559.32 | 328120.21 | 401841.79 | 419169.18 | |
| cis-Aconitic acid | 1442358.04 | 1460879.21 | 1783166.54 | 1309984.38 | |
| Citicoline | 36984.00 | 23744.57 | 41667.44 | 29475.42 | |
| Citraconic acid | 410205.92 | 411391.25 | 527790.73 | 354225.64 | |
| Citric acid | 42008284.00 | 41789010.67 | 50187298.67 | 34921140.67 | |
| Citrulline | 3053428.50 | 3155897.67 | 4055432.50 | 4117149.25 | |
| Coenzyme A | 83642.16 | 92429.95 | 99056.88 | 101795.13 | |
| Creatine | 398666944.00 | 379369237.33 | 414627232.00 | 402529898.67 | |
| Creatinine | 5907475.83 | 5335101.83 | 6505795.83 | 7328347.00 | |
| Cysteinylglycine | 316917.00 | 445081.42 | 349291.09 | 617388.41 | |
| Cytidine | 23562.90 | 16544.73 | 52536.15 | 22250.64 | |
| Cytidine monophosphate | 53556.87 | 53174.09 | 63026.57 | 54504.96 | |
| Cytidine triphosphate | 694707.01 | 733676.00 | 961852.29 | 353182.51 | |
| Cytosine | 75710.90 | 109247.56 | 105418.26 | 68142.72 | |
| D-2-Hydroxyglutaric acid | 802412.32 | 951282.90 | 1504751.72 | 1753709.62 | |
| D-Alanine | 6245983.47 | 4917858.09 | 5930022.85 | 4602142.43 | |
| D-Arginine | 59871135.27 | 55050063.20 | 64421909.24 | 69213857.50 | |
| D-Aspartic acid | 148252.36 | 111177.32 | 196178.79 | 57875.79 | |
| Daucic acid | 1844846.27 | 2207263.32 | 2497898.64 | 2755469.74 | |
| dCDP | 17381.24 | 6546.35 | 14530.05 | 15308.67 | |
| dCTP | 34505.87 | 29039.47 | 33589.92 | 16921.26 | |
| Deoxyadenosine triphosphate | 50264.76 | 49221.56 | 52808.22 | 30987.59 | |
| Deoxycytidine | 46669.85 | 76485.06 | 73915.89 | 44748.19 | |
| Deoxyribose 5-phosphate | 44359.08 | 40575.41 | 60189.77 | 42822.33 | |
| Deoxyuridine | 7599.14 | 15479.24 | 11180.15 | 10667.05 | |
| D-Fructose | 2015960.50 | 1653234.96 | 1451596.04 | 1533571.79 | |
| D-Galactose | 70441.41 | 9023.97 | 17287.12 | 31171.93 | |
| D-Glucose | 28779531.33 | 22298871.33 | 24108056.00 | 24287906.00 | |
| D-Glucuronic acid | 95560.96 | 72708.33 | 91852.91 | 92769.89 | |
| D-Glutamic acid | 14394272.05 | 13076097.18 | 19807162.07 | 17232326.94 | |
| D-Glutamine | 1019803548.87 | 1342868291.67 | 1130304116.93 | 1514162973.00 | |
| D-Glyceraldehyde 3-phosphate | 1845197.58 | 2151340.88 | 1743319.54 | 779991.45 | |
| D-glycero-L-galacto-Octulose | 30317582.49 | 30213794.98 | 54293994.51 | 49223198.72 | |
| dGTP | 21174304.04 | 22174817.54 | 24392822.71 | 11315795.52 | |
| Diacetyl | 855736.49 | 921151.11 | 752059.29 | 844197.03 | |
| Dihydrobiopterin | 774452.90 | 372201.02 | 898382.93 | 1173796.00 | |
| Dihydrothymine | 11532342.24 | 10134622.61 | 13770839.43 | 11610839.72 | |
| Dihydrouracil | 590389.42 | 637592.99 | 576664.63 | 380011.84 | |
| Dihydroxyacetone phosphate | 701810.36 | 662885.72 | 908636.91 | 1042346.78 | |
| Dimethylglycine | 946303.70 | 1074982.39 | 1213282.31 | 1392204.01 | |
| Dimethyl sulfoxide | 1852539.32 | 1048430.46 | 1822227.97 | 1685615.56 | |
| Distichonic acid A | 458748.64 | 914119.98 | 717538.90 | 979453.46 | |
| DL-2-Aminooctanoic acid | 2803701.46 | 1476936.02 | 2954669.04 | 1345588.98 | |
| D-Lysine | 7621376.05 | 7115355.73 | 9389693.93 | 9416093.75 | |
| D-Mannose | 6498.91 | 7246.51 | 7385.27 | 31775.27 | |
| Dodecanoic acid | 519139.83 | 405573.10 | 481197.38 | 464283.56 | |
| D-Proline | 64735819.08 | 56972278.61 | 83225134.68 | 68053667.53 | |
| D-Ribose 5-phosphate | 867914.44 | 938166.26 | 1028739.31 | 1218156.02 | |
| D-Sedoheptulose 7-phosphate | 271598.92 | 248867.18 | 355408.05 | 399591.08 | |
| D-Serine | 6555754.90 | 7295771.58 | 6695011.17 | 6135200.01 | |
| D-Tryptophan | 2748604.18 | 2528263.73 | 3051244.75 | 3239116.70 | |
| dUMP | 42280.84 | - | 55681.78 | - | |
| D-Xylose | 1364818.80 | 1357929.47 | 1744034.49 | 2027968.69 | |
| Eplerenone | 12450004.44 | 6152426.54 | 9761871.24 | 7687047.09 | |
| Ethyl 2-aminobenzoate | 63112826.89 | 60227277.94 | 73383430.82 | 75885225.86 | |
| Ethyl nitrite | 4445294.08 | 4854884.96 | 5514669.04 | 5128483.34 | |
| FAD | 12333.47 | 11947.01 | 14565.46 | 12090.96 | |
| Fenamiphos | 440905.97 | 490836.31 | 748517.97 | 709004.82 | |
| Flazine methyl ether | 370848.35 | 352732.17 | 289540.33 | 414330.80 | |
| Folic acid | 503388.72 | 327885.23 | 470073.86 | 542485.27 | |
| Fructosamine | 140781.10 | 137850.00 | 168410.53 | 293908.89 | |
| Fructose 1,6-bisphosphate | 909065.60 | 496004.21 | 558815.71 | 467359.85 | |
| Fructose 6-phosphate | 1437071.88 | 1323904.92 | 521447.76 | 548570.44 | |
| Fumaric acid | 11488212.21 | 8687889.95 | 12959923.59 | 7247773.25 | |
| Furazolidone | 1170159.53 | 1024234.58 | 953135.58 | 939241.87 | |
| Galactonic acid | 2296471.92 | 2023816.08 | 2676395.92 | 2287500.92 | |
| gamma-Aminobutyric acid | 1843939.59 | 1910845.06 | 1305225.18 | 1209719.49 | |
| gamma-Glutamylglutamic acid | 298715.28 | 253080.77 | 420692.18 | 439415.04 | |
| GDP-glucose | 59439.41 | 21508.80 | 70653.71 | 64325.59 | |
| Gluconic acid | 3900489.33 | 3258417.42 | 4324546.00 | 3632404.92 | |
| Glucose 6-phosphate | 2140833.75 | 1487147.00 | 1422494.29 | 814584.31 | |
| Glutaconic acid | 170293532.93 | 233378779.40 | 233465064.90 | 331964883.83 | |
| Glutamylaspartic acid | 1479671.87 | 1475580.14 | 2798008.41 | 2391716.24 | |
| Glutamylglycine | 309939.98 | 277600.53 | 386321.98 | 439919.03 | |
| Glutamylhistidine | 216687.65 | 204898.56 | 361313.19 | 394702.10 | |
| Glutaric acid | 2882777.49 | 2180290.40 | 2615033.14 | 2474417.33 | |
| Glutathione | 74941508.00 | 74119229.33 | 76530160.00 | 80921536.00 | |
| Glycerol 1-propanoate | 2286593.75 | 2476593.04 | 2286896.67 | 2815290.99 | |
| Glycerol 3-phosphate | 1188425.29 | 1209528.12 | 1883975.71 | 3592164.58 | |
| Glycerophosphocholine | 3628227.33 | 2818346.00 | 2297964.17 | 2490050.50 | |
| Glycerylphosphorylethanolamine | 1338986.03 | 890313.49 | 1653041.42 | 1849001.97 | |
| Glycine | 6224665.67 | 6351000.67 | 5657163.00 | 5062762.00 | |
| Glycodiazine | 4639225.35 | 5534692.50 | 5035945.45 | 6447603.42 | |
| Glycyl-glycine | 13354276.96 | 14908061.79 | 13292184.10 | 8538029.47 | |
| Guanidinosuccinic acid | 1066068.15 | 949936.85 | 1015862.98 | 1022922.10 | |
| Guanosine | 11460.77 | 15053.80 | 23870.75 | 16876.04 | |
| Guanosine diphosphate | 180751.17 | 147177.71 | 218648.67 | 187601.32 | |
| Guanosine monophosphate | 28929.54 | 18074.79 | 31552.44 | 46399.59 | |
| Guanosine triphosphate | 436770.31 | 508340.71 | 579082.10 | 237689.95 | |
| Hallacridone | 47393.63 | 31920.84 | 27233.57 | 35106.13 | |
| Hexanoylcarnitine | 44027.36 | 36310.56 | 56109.35 | 59675.52 | |
| Hippuric acid | 341243.67 | 267334.48 | 362315.73 | 382487.36 | |
| Hirsutin | 177522.33 | 138378.17 | 131931.01 | 255234.24 | |
| Homocysteinesulfinic acid | 1052608.59 | 901022.22 | 1295602.12 | 957051.91 | |
| Homovanillic acid | 417892.57 | 471040.40 | 401225.89 | 452206.19 | |
| Hypotaurine | 2395037.08 | 2605703.67 | 2688009.58 | 2721093.42 | |
| Imidazoleacetic acid | 182908.01 | 146618.48 | 206047.50 | 174041.24 | |
| Iminodiacetic acid | 1557312.43 | 1178216.52 | 1877691.34 | 1719613.99 | |
| Indoleacetaldehyde | 347796.21 | 286967.66 | 394783.05 | 351692.15 | |
| Inosine | 100232.64 | 143701.06 | 150244.58 | 138123.20 | |
| Inosinic acid | 24721.51 | 12895.93 | 10500.44 | 12952.04 | |
| Isobutyryl-L-carnitine | 10074561.03 | 7145154.66 | 14253033.58 | 10464735.43 | |
| Isovalerylcarnitine | 5807347.67 | 2845529.33 | 5139995.17 | 2000427.75 | |
| Ketoleucine | 19112022.40 | 11835071.55 | 19453098.31 | 17482458.98 | |
| Koeniginequinone B | 347884.75 | 307960.15 | 447369.99 | 376564.86 | |
| Kuwanon Z | 121147.22 | 318858.46 | 197306.97 | 528846.26 | |
| Kynurenic acid | 25096.56 | 18854.59 | 26378.78 | 24754.67 | |
| L-2-Amino-3-(1-pyrazolyl)propanoic acid | 25838552.98 | 28212546.68 | 26805891.97 | 26220727.54 | |
| L-2-Amino-3-(oxalylamino)propanoic acid | 4044069.21 | 3252092.61 | 5057309.60 | 4434711.63 | |
| L-2-Amino-5-hydroxypentanoic acid | 2076834.58 | 1913314.47 | 2125934.11 | 2020550.53 | |
| L-3-Aminodihydro-2(3H)-furanone | 604867.88 | 718638.62 | 691518.59 | 459267.71 | |
| L-Acetylcarnitine | 26640761.33 | 23296923.33 | 41920017.33 | 33503662.67 | |
| L-Alanine | 7772972.33 | 7396554.83 | 8530108.67 | 6871756.00 | |
| L-Alloisoleucine | 91880216.36 | 86720775.14 | 107152131.40 | 109711039.89 | |
| L-Allothreonine | 1950526.80 | 2512160.87 | 1495232.93 | 3762957.72 | |
| L-alpha-Aminobutyric acid | 1150943.70 | 1283982.58 | 895039.77 | 1020370.75 | |
| L-Arginine | 28135859.33 | 26188753.33 | 30922947.33 | 31221952.00 | |
| L-Asparagine | 8601412.67 | 8470678.67 | 6998302.67 | 4461060.50 | |
| L-Aspartic acid | 7872048.67 | 5019205.00 | 6808219.00 | 2868786.58 | |
| L-Carnitine | 77922749.33 | 36935130.67 | 64749140.00 | 29588394.67 | |
| L-Cystathionine | 9238720.00 | 10083849.67 | 11554113.33 | 11618082.67 | |
| L-Dihydroorotic acid | 273745.41 | 127009.65 | 160675.06 | 136661.40 | |
| L-Glutamic acid | 207023258.67 | 281734304.00 | 283366037.33 | 386841322.67 | |
| L-Glutamine | 840267669.33 | 914648341.33 | 921233408.00 | 949469162.67 | |
| L-Glyceric acid | 592419.06 | 489581.81 | 622738.15 | 540602.42 | |
| L-glycyl-L-hydroxyproline | 719543.66 | 471705.09 | 1145499.69 | 1366438.49 | |
| L-Histidine | 71494061.33 | 70233664.00 | 78278930.67 | 80031528.00 | |
| L-Homoserine | 23468621.33 | 24390784.00 | 28281316.00 | 28482246.00 | |
| L-Isoleucine | 68730824.00 | 64601085.33 | 80168277.33 | 81497546.67 | |
| Lithocholyltaurine | 518745.00 | 554077.94 | 558207.32 | 589465.68 | |
| L-Kynurenine | 68376.99 | 70190.19 | 82241.59 | 83848.74 | |
| L-Lactic acid | 90316096.00 | 73753201.33 | 107284872.00 | 97811616.00 | |
| L-Leucine | 74937493.33 | 71486736.00 | 82664925.33 | 88060746.67 | |
| L-Lysine | 12893837.33 | 11514725.00 | 14952586.33 | 14864843.33 | |
| L-Methionine | 16038735.67 | 13299591.33 | 18355358.00 | 18190366.00 | |
| Loteprednol | 522355.00 | 125332.14 | 519814.23 | 52132.42 | |
| L-Palmitoylcarnitine | 7676.13 | 5331.06 | 4630.84 | 7524.54 | |
| L-Phenylalanine | 46017534.67 | 44234917.33 | 53003490.67 | 56111318.67 | |
| L-Pipecolic acid | 190919.33 | 203606.59 | 194068.26 | 187681.91 | |
| L-Proline | 70553424.00 | 61081622.67 | 85502533.33 | 73661537.33 | |
| L-Serine | 3088067.25 | 3711898.00 | 3426143.75 | 3280961.67 | |
| L-Sorbose | 19085919.07 | 18903691.02 | 34484554.60 | 31171824.45 | |
| L-Threonine | 54616034.67 | 56910986.67 | 63760344.00 | 66058480.00 | |
| L-Tryptophan | 4016615.00 | 3594857.17 | 4388029.75 | 4375905.67 | |
| L-Tyrosine | 13194850.67 | 12123500.67 | 15099440.33 | 14821532.67 | |
| L-Valine | 21701608.67 | 20304720.00 | 24018161.33 | 24740772.67 | |
| L-Xylonate | 577087.40 | 631986.79 | 845606.98 | 694862.99 | |
| Maleic acid | 765069.71 | 474988.37 | 720632.51 | 294281.10 | |
| Malic acid | 51170242.67 | 43464693.33 | 55383221.33 | 31006661.33 | |
| Malondialdehyde | 5074936.28 | 3521435.96 | 3655460.71 | 4095486.49 | |
| Malonyl-Carnitin | 68600686.62 | 32479806.15 | 59202124.79 | 26077216.91 | |
| m-Coumaric acid | 14165355.87 | 12890866.05 | 15656330.99 | 15486452.12 | |
| Melleolide M | 432718.93 | 250433.49 | 415325.00 | 299580.53 | |
| Methionine sulfoxide | 2058165.09 | 1754020.92 | 2142250.02 | 2129127.42 | |
| Methoxypyrazine | 573148.45 | 631072.02 | 634029.21 | 739268.43 | |
| Methyl acrylate | 672054.32 | 650598.66 | 1089710.11 | 886151.74 | |
| Methylimidazoleacetic acid | 432323.52 | 346247.04 | 563424.47 | 452584.77 | |
| Methylphosphate | 361131.54 | 425910.29 | 597193.26 | 398785.23 | |
| Mevalonic acid | 451845.68 | 334076.38 | 540079.28 | 1266908.50 | |
| Muramic acid | 270079.47 | 418202.25 | 216307.17 | 782057.04 | |
| myo-Inositol | 21241428.67 | 20813840.00 | 39003238.67 | 32780086.00 | |
| Myristic acid | 407132.43 | 189685.60 | 376569.55 | 305999.27 | |
| N2-Fructopyranosylarginine | 4768824.98 | 2388715.39 | 5375630.77 | 6528955.73 | |
| N2,N2-Dimethylguanosine | 1073227.27 | 964685.63 | 1109343.10 | 1099040.66 | |
| N6-Acetyl-L-lysine | 53346.10 | 56195.95 | 63667.36 | 52514.59 | |
| N6,N6,N6-Trimethyl-L-lysine | 331447.33 | 304222.08 | 414709.39 | 387769.50 | |
| N-Acetyl-a-neuraminic acid | 7633317.11 | 3261885.73 | 12687777.55 | 15600128.47 | |
| N-Acetylarylamine | 1428049.17 | 1335236.61 | 1569782.64 | 1529896.24 | |
| N-Acetylasparagine | 76811.01 | 76709.56 | 85069.96 | 82177.79 | |
| N-Acetylaspartylglutamic acid | 1829362.42 | 1779935.75 | 1190842.42 | 1029535.85 | |
| N-Acetyl-beta-alanine | 1052868.19 | 1081992.15 | 1273304.96 | 1284709.29 | |
| N-Acetyl-D-glucosamine | 9884.56 | 7762.72 | 11152.45 | 9379.73 | |
| N-Acetyl-glucosamine 1-phosphate | 232522.13 | 265997.66 | 630824.98 | 211545.32 | |
| N-Acetylglutamic acid | 206121.81 | 256876.04 | 220790.55 | 262823.52 | |
| N-Acetylglutamine | 149510.74 | 163331.34 | 213712.14 | 204019.34 | |
| N-Acetylhistidine | 785068.04 | 753856.66 | 889042.18 | 1053294.53 | |
| N-Acetyl-L-alanine | 1261700.67 | 1223987.15 | 1661800.25 | 1433698.75 | |
| N-Acetyl-L-aspartic acid | 133541869.33 | 130370037.33 | 110370912.00 | 92635234.67 | |
| N-Acetyl-L-methionine | 1045705.85 | 1062501.46 | 1407864.54 | 1327443.21 | |
| N-Acetylmuramate | 384984.12 | 275107.09 | 431520.37 | 404363.63 | |
| N-Acetylneuraminic acid | 1069603.67 | 954648.53 | 1295421.44 | 1143680.30 | |
| N-Acetylornithine | 114501.18 | 115993.95 | 139074.43 | 146047.93 | |
| N-Acetylserine | 402486.31 | 335922.67 | 1730477.35 | 1323628.67 | |
| N-Acetyltaurine | 821719.89 | 930515.67 | 1086926.65 | 1362497.84 | |
| N-Acetylthreonine | 651619.11 | 600887.31 | 847491.45 | 708630.53 | |
| NAD | 2840231.92 | 2109350.50 | 3871119.00 | 3250292.50 | |
| NADH | 225431.10 | 475811.70 | 220643.90 | 194140.82 | |
| NADP | 96054.00 | 105060.82 | 122960.09 | 109441.06 | |
| Neuraminic acid | 1969595.86 | 1585715.53 | 2323232.96 | 2816303.84 | |
| N-gamma-Glutamylglutamine | 229241.17 | 216507.39 | 333289.97 | 463210.39 | |
| Niacinamide | 2238067.75 | 1809039.75 | 2269647.04 | 2438769.54 | |
| N-lactoyl-Leucine | 23012368.03 | 19802533.57 | 36039139.59 | 29010578.12 | |
| N-Methylethanolaminium phosphate | 2105363.68 | 1848793.31 | 2313376.57 | 1852137.32 | |
| N-methyl-L-glutamic Acid | 305981.25 | 427468.47 | 569091.68 | 426304.90 | |
| N,N^-Diacetylhydrazine | 301066.67 | 261574.20 | 224462.03 | 197126.57 | |
| N-Nitroso-pyrrolidine | 4005131.06 | 4324175.88 | 4765824.54 | 4820742.36 | |
| Nopalinic acid | 201460.73 | 240693.68 | 450951.29 | 445788.48 | |
| Norepinephrine | 25010798.93 | 18008103.45 | 27363298.61 | 27644025.40 | |
| Norepinephrine sulfate | 2358398.18 | 3333544.05 | 3802672.09 | 8303526.63 | |
| Norfuraneol | 10320473.91 | 8661166.59 | 9078211.06 | 8946678.99 | |
| N-Succinyl-L,L-2,6-diaminopimelate | 125477.69 | 10142.60 | 222704.31 | 443813.78 | |
| Oleic acid | 471944.58 | 123677.51 | 368502.84 | 263951.23 | |
| O-Phosphoethanolamine | 84065.98 | 73421.86 | 73667.34 | 72131.97 | |
| O-propanoyl-carnitine | 50400640.66 | 25129767.26 | 50869260.85 | 17933590.59 | |
| Ornithine | 1240153.79 | 1092678.12 | 1601065.00 | 1617833.21 | |
| Orotic acid | 620612.59 | 1003024.67 | 498893.64 | 343510.58 | |
| Orotidine | 410365.33 | 362689.91 | 366928.04 | 299631.99 | |
| Oxidized glutathione | 4075036.92 | 2614627.33 | 7333291.83 | 3358655.92 | |
| Oxoglutaric acid | 5893782.17 | 4502037.83 | 8486060.83 | 7737999.67 | |
| Palmitic acid | 7424069.33 | 3246275.50 | 6482717.00 | 5232653.92 | |
| Pantothenic acid | 13030669.33 | 11900283.00 | 12317619.33 | 11046202.00 | |
| PC(14:0/18:1(11Z)) | 1224552.68 | 535720.91 | 1576877.76 | 1035389.49 | |
| PC(14:0/20:1(11Z)) | 2098075.00 | 965322.26 | 2139374.78 | 1360252.24 | |
| PC(14:0/22:4(7Z,10Z,13Z,16Z)) | 669284.03 | 306544.45 | 548977.52 | 367492.09 | |
| PC(16:0/18:2(9Z,12Z)) | 1190815.62 | 520537.61 | 1139726.80 | 767576.37 | |
| PC(18:1(9Z)/18:1(9Z)) | 837232.52 | 401468.45 | 724027.44 | 481463.08 | |
| Pelargonic acid | 520838.31 | 522755.21 | 556322.67 | 494870.55 | |
| Penicillamine | 5585858.20 | 5338143.89 | 6411396.48 | 6710881.87 | |
| Phosphocreatine | 57512412.00 | 53206606.67 | 77089344.00 | 58539681.33 | |
| Phosphocreatinine | 2128175.93 | 2013442.81 | 2885588.27 | 2245444.76 | |
| Phosphodimethylethanolamine | 16186664.85 | 4532726.16 | 15246230.76 | 3229381.69 | |
| Phosphoenolpyruvic acid | 3672907.67 | 6380040.83 | 4093688.92 | 3696879.75 | |
| Phosphorylcholine | 290665706.67 | 114139658.67 | 312648640.00 | 94670186.67 | |
| Phosphoserine | 419038.36 | 340495.33 | 410856.47 | 217736.89 | |
| Pipecolic acid | 24933424.44 | 22958267.65 | 29458810.26 | 28853341.87 | |
| Piperidine | 3838713.40 | 3588513.29 | 4400391.20 | 4553220.76 | |
| Proline betaine | 514469.66 | 275656.12 | 496842.18 | 275678.23 | |
| Propionylcarnitine | 53872965.33 | 27408926.67 | 55681673.33 | 19918122.00 | |
| Propionylglycine | 2694472.13 | 2359705.21 | 2202848.81 | 1891789.62 | |
| Pseudouridine | 896355.53 | 536881.05 | 882613.79 | 585538.42 | |
| Pyridoxine | 2650433.83 | 1932127.00 | 2976610.50 | 2957480.50 | |
| Pyroglutamic acid | 91667560.00 | 78868224.00 | 98271693.33 | 98632752.00 | |
| Pyrophosphate | 24539727.31 | 35646183.12 | 23269629.10 | 28787294.20 | |
| Pyrrolidine | 942292.47 | 870942.06 | 1114964.51 | 1127708.20 | |
| Pyrrolidonecarboxylic acid | 33672300.24 | 43959772.78 | 46365539.12 | 63755066.25 | |
| Pyrroline hydroxycarboxylic acid | 1271239900.67 | 1299336800.67 | 1382990028.67 | 1434002589.00 | |
| Pyruvic acid | 718909.88 | 287618.08 | 584233.04 | 310168.38 | |
| Ribitol | 447068.66 | 438990.71 | 763062.49 | 877354.36 | |
| Ribothymidine | 845111.79 | 547803.56 | 842477.55 | 824242.59 | |
| (S)-2-Azetidinecarboxylic acid | 1854585.53 | 2676551.69 | 2633409.29 | 3944842.31 | |
| (S)-3-Sulfonatolactate | 674982.36 | 724735.22 | 884909.09 | 729886.46 | |
| S-Adenosylhomocysteine | 196099.59 | 150733.76 | 160096.50 | 299337.68 | |
| S-Adenosylmethionine | 1615100.71 | 2487091.96 | 2255967.50 | 1956847.08 | |
| Sarcosine | 14665193.67 | 13780205.56 | 15527158.40 | 13017289.81 | |
| scyllo-Inositol | 65947338.20 | 54705492.18 | 53898781.20 | 58950570.92 | |
| Sedoheptulose 1,7-bisphosphate | 51497.46 | 44128.54 | 63403.19 | 46116.98 | |
| (S)-Homostachydrine | 1252260.68 | 601201.54 | 1077334.66 | 644754.24 | |
| Shoyuflavone B | 366647.62 | 318397.96 | 274315.78 | 245094.64 | |
| S-Lactoylglutathione | 36427.80 | 9889.36 | 5906.51 | 3924.54 | |
| Sorbitol | 6443983.47 | 5618812.02 | 5278017.58 | 5622897.25 | |
| Squamolone | 10867891.56 | 11889798.33 | 12583713.57 | 13775091.75 | |
| Stearic acid | 3698080.38 | 1441343.66 | 3317251.21 | 2888868.87 | |
| Succinic acid | 3255249.70 | 2871242.58 | 4046821.54 | 4513370.84 | |
| Symmetric dimethylarginine | 858425.68 | 736617.52 | 1134517.92 | 1012995.39 | |
| Taurine | 75852229.33 | 74033736.00 | 89450597.33 | 75517420.00 | |
| Tenofovir | 762430.11 | 307414.72 | 816375.19 | 712579.25 | |
| Tetradecanedioic acid | 815067.49 | 650812.27 | 707760.14 | 717890.44 | |
| Thiamine | 2896805.75 | 3854658.92 | 3665608.25 | 4637899.83 | |
| Thiosulfate | 73285.53 | 87517.75 | 109804.31 | 296520.42 | |
| Thymidine | 8996.95 | 15384.06 | 13494.22 | 13464.69 | |
| Thymidine 5^-triphosphate | 197167.88 | 176150.52 | 227371.19 | 104961.47 | |
| Thymine | 220614.69 | 202686.32 | 257770.68 | 234659.24 | |
| Trans-urocanate | 526714.49 | 513121.23 | 778225.81 | 662192.11 | |
| Trifluoroacetic acid | 31515967.03 | 33033488.59 | 33603828.56 | 31292329.70 | |
| Tromethamine | 1095909.59 | 1198845.88 | 7033931.06 | 1357812.71 | |
| Uracil | 824430.81 | 732160.54 | 935224.85 | 883453.06 | |
| Ureidoisobutyric acid | 303991.81 | 128664.24 | 68581.57 | 73506.69 | |
| Ureidopropionic acid | 271772.38 | 213056.91 | 351732.17 | 308992.71 | |
| Ureidosuccinic acid | 4964692.17 | 3993575.25 | 6056389.67 | 5350144.67 | |
| Uric acid | 1410680.58 | 1126563.67 | 1825996.58 | 1490292.17 | |
| Uridine | 58607.09 | 71411.54 | 64279.82 | 64281.69 | |
| Uridine 5^-diphosphate | 2696438.08 | 1891702.04 | 2900819.00 | 1873707.29 | |
| Uridine 5^-monophosphate | 63341.00 | 30912.82 | 69182.58 | 67896.30 | |
| Uridine diphosphate glucose | 4793285.50 | 4440541.67 | 6912565.50 | 4421447.83 | |
| Uridine diphosphate glucuronic acid | 250891.30 | 270100.64 | 235255.42 | 186912.11 | |
| Uridine diphosphate-N-acetylglucosamine | 9730873.67 | 10963128.33 | 12253949.67 | 10389936.33 | |
| Uridine triphosphate | 2599648.21 | 2424048.79 | 3225132.17 | 1059110.62 | |
| Urocanic acid | 799578.31 | 758761.25 | 1167713.46 | 939389.62 | |
| Valerylcarnitine | 9377644.15 | 4349501.82 | 8090324.87 | 3110694.23 | |
| Xanthine | 1053132.94 | 949776.02 | 1105436.96 | 1274749.08 | |
| Xanthosine | 23369.48 | 36397.22 | 29430.99 | 41564.77 |
Factors:
| F1 | Sample source:TRAP1-knockout | Treatment:DMSO |
| F2 | Sample source:TRAP1-knockout | Treatment:GTPP |
| F3 | Sample source:Wild-type | Treatment:DMSO |
| F4 | Sample source:Wild-type | Treatment:GTPP |