Metabolite_name RefMet_name Les-Jas-20190812-13 Les-Jas-20190812-14 Les-Jas-20190812-15 Les-Jas-20200214-03 Les-Jas-20200214-04 Les-Jas-20190812-16 Les-Jas-20190812-17 Les-Jas-20190812-18 Les-Jas-20200214-01 Les-Jas-20200214-02 Factors - Treatment:PBMC Treatment:PBMC Treatment:PBMC Treatment:PBMC Treatment:PBMC Treatment:Tumor Treatment:Tumor Treatment:Tumor Treatment:Tumor Treatment:Tumor 1_3-bisphospho-D-glycerate 3-Phospho-D-glyceroyl dihydrogen phosphate 2_3-bisphospho-D-glycerate 2,3-Diphosphoglyceric acid 177631.9904 299048.3901 2190732.4660 143113.0952 2/3-phosphoglycerate Phosphoglyceric acid 46141.8100 53535.4743 54367.9079 3458662.3870 3830196.1750 49863.9170 520676.4536 11958211.6500 2749000.1700 2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine 2-HG 2-Hydroxyglutaric acid 3371511.1870 2002299.9320 1322888.8010 1435284.9330 1056283.2710 1694115.5090 3_4-dihydroxymandelic acid 3,4-Dihydroxymandelic acid 25016.9417 13712.6908 3_4-dihydroxyphenylpropanoate 3,4-Dihydroxyhydrocinnamic acid 3-hydroxypropanoic acid Hydroxypropionic acid 24865805.2100 71060908.4200 60471344.2800 29337300.6900 3-methoxytyramine 3-Methoxytyramine 27325.0003 20799.9301 23311.5387 34650.3298 35229.0451 3-phosphohydroxypyruvic acid Phosphohydroxypyruvic acid 3-phospho-serine Phosphoserine 25896.7784 17126.7883 52236.6816 3-ureidopropionic acid Ureidopropionic acid 16572.0674 11194.8096 10701.8504 13704.7352 15828.9851 34393.8468 4-phosphopantothenate (R)-4'-Phosphopantothenic acid 5_6-dihydroxyindole 14825.6044 17277.0880 5-methylcytosine 5-Methylcytosine 294842.6677 115919.0531 429750.4434 112065.4204 5-methyl-THF 5-Methyl-THF 5^-methylthioadenosine 5'-Methylthioadenosine 38228.5219 904925.5263 1204594.4020 1474186.7200 6-aminocaproic acid 6-Aminocaproic acid 6-O-methylguanine 6-phosphogluconic acid 6-Phosphogluconic acid 67173.0572 41381.7394 177796.4493 110835.5411 11961.9437 25886.3279 813720.0403 352696.0070 6-phosphoglucono-D-lactone 6-Phosphonoglucono-D-lactone acetoacetic acid Acetoacetic acid 4270764.5950 8598447.9160 2963801.5740 acetylcholine+ Acetylcholine 525985.0506 2113260.7220 512786.0744 16196826.8800 3585035.6560 531829.2070 386068.1145 625718.4350 5693489.7160 410694.0319 aconitic acid cis-Aconitic acid 3447653.4070 1603166.5780 877352.5173 3457070.7080 561718.8519 494046.6304 adenine Adenine 6601525.8060 7192278.2060 8511813.7830 6783474.9270 adenosine Adenosine 1478714.8080 1482643.2130 806293.9725 338467.7621 3437707.8910 1570796.6340 adenylosuccinate Adenylsuccinic acid 29535.1761 11705.8729 30228.8688 ADP ADP 3862587.2030 5131373.4120 2905236.3050 15636641.3900 11008209.1600 364848.6602 301023.3037 68382.9130 6996129.7370 1256175.2380 ADP-D-glucose ADP-glucose 35988.1832 agmatine Agmatine 8131.4250 76892.0804 22033.5476 40816.7039 123452.8898 AICA ribonucleotide AICAR a-KG 2-Oxoglutaric acid 1845817.4900 2650537.1520 2766964.1720 390904.7979 166299.6301 2823133.0720 2856794.1290 1891019.2520 97259.3872 741239.0028 alanine Alanine 34094149.3400 9308821.1640 12164162.8000 5385016.8090 allantoin Allantoin 17820.1714 22384.4691 39094.8843 AMP AMP 5741841.7860 3281550.2390 1756119.2390 7260586.1590 3620669.4170 1725428.8950 1571008.4800 1161914.2420 24423266.5400 1123445.7530 anandamide Arachidonoyl-EA arginine Arginine 7136162.0700 6618648.3740 10366292.4500 10200906.2100 7179568.3770 11454738.4200 6546520.1210 10654233.2900 28823375.3800 2072247.1930 asparagine Asparagine 193270.1378 68467.5554 39334.9038 19229.1029 126613.1687 192946.3304 63179.4391 66681.4239 aspartic acid Aspartic acid 1976164.2180 1392226.1470 718469.6162 6871295.4950 4288521.5820 2697245.0040 93109.1112 363520.9973 10466254.0500 2284224.8410 ATP ATP 1874745.5280 2414806.9570 1258319.7520 13886975.2800 16489651.4800 17718.2810 8063.0143 2908680.2250 975972.2850 b-alanine beta-Alanine 476776.5003 3846816.8520 820069.4433 2258854.8810 2000822.9400 1173414.6830 584774.7131 234669.0361 2195976.6430 11468205.9100 betaine Betaine 60555683.8800 160132038.4000 93543307.0800 185936076.6000 301801042 139106518.4000 364118274.6000 56091782.9800 190860717 71845464.2800 carbamoyl phosphate Carbamoylphosphate 13414.2286 44052.0312 111654.2985 29893.4712 31365.2293 153820.2493 carnitine+ Carnitine 37235908 103478628.2000 204487429.9000 10498294.0100 5149117.5520 70115398.2600 392093508 34917619.4900 9678197.9990 7995763.3780 CDP CDP 18333.8450 115352.3051 10144.5125 1592520.7640 449739.5660 15190.1833 18406.5765 1457321.7210 CDP-choline CDP-choline 101445.7595 24083.4906 640287.3256 322917.0854 12449.3286 266859.5523 424680.3734 47504.8058 choline+ Choline 25274188.6700 58874558.3100 41956961.7300 136169974.5000 33408612.0200 68705905.6900 56879377.2500 47164913.6800 101856893.8000 49329212.4500 citraconic acid Citraconic acid 2500153.0570 3225987.8840 1275406.1310 3890085.6740 15128573.3200 1087868.1210 1195851.8130 1879896.5780 1931761.2780 5352675.8580 citramalic acid Citramalic acid 5525230.3230 3555049.0190 1509034.6580 913325.6444 1544659.4020 2520915.9340 961722.7007 4634427.9390 3244839.6030 2985410.6340 citrate / citrate(iso) 210457977.6000 233507948.1000 178993508.7000 210483859.3000 186391672.1000 113647954.9000 72653035.1300 95887444.0900 357595451.7000 220560767.4000 citrulline Citrulline CMP CMP 37659.1750 17579.9466 629977.5805 48802.9372 61664.1471 68539.0942 1014027.3160 creatine Creatine 8790486.8460 42027558.8700 14157499.5500 17558717.5100 15977688.4200 35866892.5300 111129867.2000 16136372.9100 38877579.7800 19408147.5600 Creatinine Creatinine 41087651.4200 18326851.7200 CTP CTP 1225246.3770 857139.8045 326378.4086 23191.1923 cystathionine Cystathionine 9374.4906 9079.5122 206162.8343 200418.7670 2062425.3160 713056.8945 cysteine Cysteine 116417.9527 40983.7166 22362.9061 2024133.4830 1432991.9820 10927.8509 4784956.1500 3212007.9660 cystine Cystine 9461.0445 18653.9066 64225.4915 cytidine Cytidine cytosine Cytosine 3783245.5000 1190367.4920 2346044.4450 795033.6364 3765994.4200 dADP dADP dAMP dAMP D-arabinono-1_4-lactone D-Arabinono-1,4-lactone 1493476.4000 423658.5526 215167.2625 1592240.4480 992185.5591 377385.7996 724258.6472 365133.4280 1506901.8180 301082.6452 dATP dATP dCDP dCDP dCMP dCMP dCTP dCTP dehydroascorbic acid L-Dehydroascorbic acid 182399.4801 188223.8749 45524.6083 12821135.1300 10776658.0700 132883.3019 18653846.7500 2835139.2370 deoxyguanosine Deoxyguanosine 911826.9705 258961.9026 676512.9057 713929.1923 deoxyinosine Deoxyinosine deoxyuridine Deoxyuridine D-erythrose-4-phosphate Erythrose 4-phosphate dGDP dGDP 796262.4437 606785.3496 38407.5492 1151363.1660 1265217.1190 29967.6164 dihydroorotate 4,5-Dihydroorotic acid 22460.3910 15799.5593 DL-DOPA DOPA DOPAC 3,4-Dihydroxybenzeneacetic acid 22843.8718 18527.1050 28118.2379 DOPAL 3,4-Dihydroxyphenylacetaldehyde 111901.6376 210434.3965 69238.4904 364879.3050 dopamine / octopamine 391404.2335 360998.8525 383970.3783 141255.6497 143836.8299 515909.4451 314232.8092 808590.9374 320693.4752 623087.8884 dopamine quinone Dopamine quinone 365670.2158 167421.1975 393314.9930 810199.3118 973726.1167 349279.3555 91131.8080 245953.7807 696159.4171 855051.8093 DOPEG 3,4-Dihydroxyphenylglycol DOPET 31565.9045 D-ribose-1/5-phosphate / D-ribulose 5-phosphate 623861.0327 24278.6493 375305.5548 79513.6256 725355.1511 13565.3072 1858553.8640 317622.7198 D-sedoheptulose-7-phosphate D-Sedoheptulose 7-phosphate 19087.8781 13645.2997 55759.5451 833541.7248 14615.4716 165267.5674 dTMP dTMP dTTP dTTP dUMP dUMP dUTP dUTP epinephrine Epinephrine 15597.5774 10236.8247 9426.0631 8579.0170 22238.3249 12103.4237 F-1_6/2_6-DP 2571180.8590 1352245.8640 821691.9969 6272058.2670 5016796.5170 497257.3688 191649.7884 146140.2757 23845516.7000 10595637.0300 F1P Fructose 1-phosphate F6P / G1P 195947.0164 54766.6984 629255.7257 1983052.9120 402217.4870 2507080.7530 726631.0379 FAD FAD FMN FMN fumaric acid Fumaric acid 2124997.1020 2463825.7600 2579432.2870 141485.8941 3815766.6470 2132681.9880 3022127.5440 524779.4260 G6P Glucose 6-phosphate 459248.6257 119823.7548 69517.7022 361517.5523 3628199.4360 44470.7386 12436.0257 1900874.3220 899813.5931 GABA gamma-Aminobutyric acid 541050.4329 732334.0322 4189075.2910 1728529.7820 1078509.1470 GalNAC/GlcNAC/ManNAC 53846.0562 118767.4131 38213.7547 85952.9206 47622.0449 63063.6042 12752.9739 83158.5646 198674.9339 53526.9654 GAP / DHAP 47734.7063 27837.3566 448310.5492 GDP GDP 381263.5371 657842.8490 321978.1542 3615551.4850 2394565.3930 133600.1476 97929.0521 5761891.8530 238365.0860 GDP-L-fucose GDP-L-fucose 35988.1832 glucono-lactone Gluconolactone 525529.1993 160359.8094 814855.5345 148518.1923 147838.6768 228840.4052 2457812.8640 glutamine Glutamine 3396768.2570 7064071.2730 5028450.7730 5042975.4740 1961078.7070 4158542.2750 2578380.3590 3048578.3000 2114525.7940 849267.9999 glutaminic acid Glutamic acid 7325868.2700 18259400.4500 7811013.1210 17671114.1600 9497886.9350 13122806.4100 3643265.1560 5213475.7370 10403620.1500 2455616.9980 glutathione Glutathione 48130814.5300 19569851.9100 11193957.3600 13600598.1000 12724306.0600 10644835.0600 2092993.0560 10797039.0100 32259814.9100 26853002.8200 glutathione disulfide Oxidized glutathione 2685068.2180 1938438.0700 1236638.7460 1565597.2930 1445137.0230 916675.3673 548647.7529 379853.7014 5417581.5920 2457989.0900 glyceric acid Glyceric acid 926075.0365 1370153.0630 514923.8273 221205.5772 696670.7574 336743.5822 2243533.7180 3198905.1390 glycerol 2/3-phosphate 187743.5006 210727.6860 128442.2564 17540.2747 1872678.0950 575257.1317 glycine Glycine 3167555.7170 1319546.0850 2806765.3860 2904543.1110 837165.2488 glycylglycine Gly-Gly 193270.1378 12606.8326 39334.9038 28941.9045 192946.3304 63179.4391 GMP GMP 555060.9844 398503.3111 147390.8428 805826.5514 337080.3903 826158.5160 652497.3593 73706.9532 2634343.8430 87733.4037 GTP GTP 104224.3453 128940.2174 12181.4175 2236031.5850 2698347.0600 926215.2535 43617.7901 guanidinoacetate Guanidoacetic acid 31380.3057 1060302.5910 620755.6474 1170667.9890 1139351.6670 162194.3398 guanine Guanine 70974.7875 173149.0295 152878.7184 65272.8365 48279.6051 303656.1869 18362.9045 guanosine Guanosine 18087.9814 gulonic-lactone L-Gulonolactone 1353274.3790 705314.3712 1960572.5600 1516891.2200 3229447.1950 598597.6722 1191749.5670 1764630.4880 660249.4803 histamine Histamine 266827.9563 291709.0972 1163082.2900 655130.2638 420726.7769 123278.4495 349417.0513 400176.0737 histidine Histidine 2898986.8430 1483181.8700 1236694.2820 4872555.6860 3499099.6920 1973468.1860 897591.3321 2626274.3160 6609161.6860 2735550.7360 homocysteine Homocysteine 50345.5401 homoserine / theronine 3409309.5800 1430187.0860 1085271.4840 7135181.8950 5468152.8790 2292418.9870 940765.2228 1154483.0730 10214694.2300 3826717.3500 homovanillic acid Homovanillic acid 80819.5131 34248.3751 20026.4417 hydroxyphenyllactic acid Hydroxyphenyllactic acid 23532.1850 25423.2526 71721.1953 146269.3795 hypoxanthine Hypoxanthine 1740994.2300 10694.7006 68386.1460 416404.0510 317889.8990 2295474.7650 435534.7617 211492.1190 1060669.6520 16765.6234 IDA Iminodiacetate 37793.0861 12819.5314 11255.6601 9201.5877 35395.8144 30342.3849 30337.8021 IDP IDP 1251291.7480 2035295.0270 55755008.1400 114413971.3000 8434163.7210 2175219.4660 49399060.5700 26953678.6500 imidazole-4-acetate Imidazoleacetic acid 189860.4767 94012.8553 106372.4856 162107.7348 135232.6224 54279.6186 48807.6550 133169.5140 126499.6710 41339.0384 IMP IMP 1549334.2430 489336.3738 448243.0800 2232856.4740 4628037.7860 27507.2267 2569869.9280 1725198.6240 12373527.8700 2610939.9770 inosine Inosine 352347.0396 1589136.9610 8026.5715 275741.3545 17489.5750 itaconic acid Itaconic acid 2575742.6220 2650570.8160 2502693.6230 730766.7928 52268.2029 1447790.3160 1195851.8130 1879896.5780 111586.6809 1815221.5140 kynurenine Kynurenine 14673.0099 29070.7409 36415.2587 lactic acid Lactic acid 237969026.2000 111629072.9000 233128903.7000 340905466.6000 482802343.5000 173285160.9000 67997423.3200 313570090.6000 497456153.6000 90479298.5000 L-arginino-succinate Argininosuccinic acid 33000.0768 11293.0071 163657.7851 leucine / leucine(iso) 57128871.4900 60185099.5800 3324933.8480 114492796.7000 61957904.9300 levulinic acid Levulinic acid 4189393.1140 5682215.5410 3393083.5790 1896471.1150 L-NMMA Targinine 14153.8743 24773.0927 32457.2806 18789.1014 29431.1821 28837.9918 55230.4079 495089.7157 12020.7424 lysine Lysine 4001958.7300 3607818.7570 1732075.8310 20548971.7600 815625.6967 maleic acid Maleic acid 1881354.5380 1673616.3500 820623.7090 1287444.6820 malic acid Malic acid 122109568 56652839.1100 40640802.8500 21470582.6500 12847478.1000 51854778.1700 21616185.0300 31006318.7700 37304804.2400 26945279.1400 methionine Methionine 1821290.8800 1049054.0270 924826.1868 4600465.8030 3563893.4910 992756.9836 920199.6704 974565.8162 9015803.9430 2957024.0550 methylglyoxal Pyruvaldehyde methylmalonic acid Methylmalonic acid 11047164.2500 9461476.2860 7482216.5190 4381559.5000 5681940.3950 8519311.3990 1281131.3890 12571854.2400 2136842.8180 mevalonic acid Mevalonic acid 66506.7065 12958.4084 17246.7886 47240.2407 68614.4364 N1/N8-acetylspermidine 95522733.7500 2647608.3300 13948194.1200 21658017.9600 37554723.7300 7325331.5180 11898540.8100 11856007.6100 625078002.6000 103300356.7000 N-acetylaspartic acid N-Acetylaspartic acid 1591995.5860 1020251.5140 701612.1722 4303531.0280 3614988.9730 5629908.4590 804175.8049 46418.2685 N-acetylaspartylglutamic acid N-Acetyl-Asp-Glu 34644.0470 700859.4639 N-acetyl-b-alanine N-Acetyl-beta-alanine 440674.5467 2548142.2270 2953779.5860 5476272.8760 5479398.3310 1343447.6120 1748174.9150 3655760.2300 298205.3502 N-acetyl-DL-alanine 2409884.5870 1991565.7370 3790252.2310 1618453.7590 5479398.3310 1343447.6120 637657.1915 2814847.2320 90105.4682 N-acetyl-dopamine 82957.1071 62192.5559 22510.6607 19171.7536 18326.7775 35864.7035 32626.2585 23696.8231 N-acetylglucosamine 1/6-phosphate 71458.6328 226622.2015 41581.7402 567553.5945 400263.0868 23879.1557 57226.8252 262042.8341 NAD+ NAD 86856.3039 24754.3066 37137.1817 2474108.2480 998472.0062 39380.0768 18077.1051 1893949.8720 164611.8952 NADH NADH NADP+ NADP 704003.3481 345019.7476 12594.8757 1007595.0320 29968.6447 NADPH NADPH 78308.5706 61105.8442 N-carbamoyl-L-aspartate Carbamoylaspartate nicotinamide Niacinamide 1009705.7990 1191993.5500 856400.0351 3137188.7300 4971992.1530 1873242.8080 1428458.8790 1659380.2700 6613197.0540 2662734.3640 N-methyltryptamine N-Methyltryptamine 14294.3613 14720.6032 NMN Nicotinamide ribotide 8635.0361 11498.9332 norepinephrine / pyridoxine 14780.5585 11378.9880 347140.2298 165417.7867 10622.8910 419173.5554 236013.8114 ornithine Ornithine 199468.8011 78068.2893 3625437.9490 1507243.0450 1134448.7690 527792.9772 664979.2715 3249443.0700 305582.4345 orotic acid Orotic acid orotidylic acid Orotidylic acid oxalacetic acid Oxaloacetic acid 22153.7451 pantothenic acid Pantothenic acid 16004.0804 900866.6386 1512470.1560 30931.9032 2711489.3390 54151.4582 phenethylamine Phenylethylamine 524397.3719 204388.6846 190937.5986 190748.9564 270078.1226 323069.2709 phenylalanine Phenylalanine 8172735.1160 12059019 876325.1088 1463593.4230 18637993.6800 6021565.3760 phosphocreatine Phosphocreatine 500009.9396 49890.5647 42051.9660 246746.6305 148086.9698 2213561.6740 2408794.2510 989522.3053 8645691.6360 2146505.8040 phosphoenolpyruvate Phosphoenolpyruvic acid 52021.0722 148121.6749 161211.2700 864097.1776 1429267.8090 307309.1648 2110795.2970 8243608.2800 1327873.8590 phosphorylcholine+ Choline phosphate 14791942.1600 3741002.7530 3172188.3790 37390748.6900 25945640.7800 2618522.7970 3293930.1060 1825213.8870 72165066.2200 17105762.1500 proline Proline 5308006.2350 10746042.3200 26355804.8300 18286077.9400 4773249.8430 3245727.2040 4982711.9070 27983825.1700 8993057.0330 PRPP Phosphoribosyl pyrophosphate pseudouridine Pseudouridine 30009.2529 putrescine Putrescine 21853867.3700 2570876.9100 1584051.4890 1134158.7230 1204694.7750 1758837.8900 2233691.8290 2564901.7270 34225947.8700 4588764.2680 pyridoxine Pyridoxine 12049.9118 43123.6087 21647.9122 13716.2635 27257.1474 137085.1744 pyruvic acid Pyruvic acid 8413550.2860 4635202.8140 2709185.8400 1808646.3260 S-adenosyl-L-homocysteine S-Adenosylhomocysteine S-adenosyl-L-methionine+ S-Adenosylmethionine 20854.4302 525971.5012 455912.5960 2129616.9990 154765.2423 S-adenosylmethioninamine+ S-Adenosylmethioninamine serine Serine 588402.7019 649690.2508 79984.4627 923065.8919 746010.1146 424740.3705 390113.3678 1171651.9050 serotonin Serotonin 1017414.6510 47027.4040 45899.9066 20644.5823 67812.9804 42672.7142 spermidine Spermidine 132581082 65074049.9300 52173717.9000 344947551.5000 437536790.8000 71656094.8700 30458862 112552088.7000 123816286.2000 414793102.2000 spermine Spermine 30304639.6300 20782738.4200 19797589.9000 12622376.8600 12874781.2200 28247192.2300 12759260.9700 40144896.4200 14771453.1800 19667805.5800 succinic acid Succinic acid 9748546.5220 8515921.4280 3756951.1580 2046657.5500 8130749.3780 8547091.8330 17496082.2200 3686710.8560 4466301.1750 taurine Taurine 41486436.0800 74463304.3800 45712943.5800 443426528.1000 316733831.6000 20182583.7000 27750324.5800 3087461.9910 181434183.5000 9043205.0560 thiamine+ Thiamine 43281.9801 32526.3325 29293.2817 thymidine Thymidine 24346.9738 13607.9707 13309.1929 20872.6775 34501.4360 thymine Thymine 590582.6529 401301.8003 1220121.2920 tryptamine Tryptamine 13221.2143 11567.8156 11562.3461 76624.1891 42358.5172 tryptophan Tryptophan 22382.0519 306622.5812 194265.8725 1677071.2270 1834413.3050 179579.1237 152696.1782 175590.6900 2831032.0750 313429.3304 tyramine Tyramine 736102.7753 137730.1689 175011.6499 373793.0746 tyrosine Tyrosine 378586.2861 454468.5149 309705.6278 3624406.7990 2892029.6740 512779.8796 606383.1171 451179.4054 5787929.2500 609615.2915 UDP UDP 258974.1905 1122005.2850 782545.8385 2593531.6420 2177067.4290 291889.9416 372981.9883 4069630.1890 UDP-D-glucose UDP-glucose 67903.6429 367589.2542 126340.0173 734914.0218 694493.3311 29891.3096 71370.0136 396932.4199 UDP-N-acetyl-galactosamine/UDP-N-acetyl-glucosamine 147573.0383 96285.0680 127917.3347 2091390.3180 1873565.5840 2175344.5310 153995.6075 UMP UMP 1145789.4730 748432.8357 190539.2348 481743.5582 184786.7826 314434.2947 343611.8345 31711.9628 1564433.0710 uracil Uracil 199535.3643 150798.4133 580621.0002 499175.0827 urea Urea 402407.6893 360899.7642 778729.3497 508873.6678 1016131.0080 108767.8670 313341.5712 504815.6261 507954.2973 730760.8590 uric acid Uric acid 311118.7420 60342.3437 971159.2661 uridine Uridine 82206.1337 461980.0148 11110.4518 45795.4251 UTP UTP 77139.0036 298186.4358 215461.2857 1468372.0340 2333987.2940 571751.3349 valine Valine 4258216.6170 2211698.6450 23194397.1100 2205658.1590 39419251.3800 1242645.5230 xanthine Xanthine 19003.0798 18711.7986 128763.2031 46686.5438 31738.8213 32601.2080 28086.9340 XMP XMP 47418.2751 102092.0382 y-glutamylcysteine gamma-Glutamylcysteine 16451.5737