Data for ST003429
| Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 | F9 | F10 | F11 | F12 | F13 | F14 | F15 | F16 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Acetyl-CoA 303 | 4778575.15 | 4486248.65 | 4237761.47 | 4490034.44 | 3792290.63 | 4776219.84 | 4664228.52 | 423.59 | 325.62 | 664.78 | 144.14 | 278.38 | 555.45 | 457.31 | 510.63 | 153.58 | |
| Acetyl-CoA 428 | 656281.93 | 623416.39 | 568892.31 | 597522.43 | 512342.37 | 638881.93 | 621842.80 | 440.97 | 172.71 | 184.53 | 86.92 | - | 168.66 | 347.46 | - | - | |
| Acyl-L-carnitine (18:2) 85 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Adenosylcobalamin 147 | 2577.18 | 1559.75 | 2373.51 | 1194.04 | 874.98 | 1569.10 | 2677.54 | 203.60 | 184.20 | 185.51 | 238.53 | 219.37 | 225.27 | 313.77 | 226.57 | 321.81 | |
| Adenosylcobalamin 341 | 265.43 | - | 319.39 | 149.89 | 226.64 | 278.68 | 192.47 | - | - | - | - | - | - | - | - | 132.96 | |
| Alanine PARENT POS | 126687433.60 | 125852156.00 | 130693063.43 | 131043269.33 | 126277628.63 | 123219522.17 | 123953036.47 | 34950086.73 | 34795525.53 | 42258783.44 | 34547958.79 | 33118678.50 | 34893030.70 | 32628576.19 | 973146.73 | 9132630.48 | |
| Asparagine 87 | 21189501.83 | 16883527.72 | 14730980.29 | 23230093.62 | 29501086.07 | 12740543.54 | 24691502.93 | 12725352.53 | 13251025.25 | 13283413.83 | 13734339.78 | 13399310.60 | 13880222.95 | 13563771.98 | 14240697.78 | 1844826.17 | |
| Biotin 227 | 9625243.09 | 9789996.56 | 8137705.33 | 10680752.80 | 10195591.14 | 9433515.70 | 10357433.41 | 5249542.36 | 5523733.65 | 5390164.87 | 5428952.81 | 5448496.22 | 5436300.96 | 5512637.92 | 6135137.30 | 153121.44 | |
| Cerulenin 207 | 342447.42 | 295981.11 | 487383.71 | 283381.66 | 241520.07 | 520665.41 | 365773.66 | 136389.29 | 147552.34 | 105981.52 | 123508.77 | 77079.67 | 67001.17 | 84365.41 | 91739.54 | 1025427.59 | |
| Cerulenin 89 | 3460220.24 | 3138812.15 | 5099472.91 | 2944719.31 | 2589911.26 | 5756225.36 | 3909367.88 | 1286231.65 | 1401167.40 | 956302.93 | 1135065.12 | 635255.01 | 596954.75 | 683860.40 | 517036.51 | 87087.42 | |
| Choline 60 | 3569.47 | 19299.65 | - | 197066.77 | - | 62913.28 | - | 6179076.25 | 37564134.13 | 11089640.33 | - | - | - | 1248.44 | 26645631.70 | 257229.83 | |
| Citrulline 113 | 13982.83 | 61561.35 | 14021.61 | 74422.89 | 94106.31 | 40934.64 | 14920.97 | 37192.47 | 39403.42 | 38904.78 | 37557.46 | 34754.21 | 40839.88 | 42411.82 | 15681.24 | 4416.21 | |
| Citrulline 70 | 422725.73 | 1878446.56 | 424945.02 | 2463887.41 | 3030258.32 | 1293314.91 | 458409.07 | 1188592.07 | 1143200.12 | 1197157.67 | 1201485.10 | 1206138.25 | 1201496.62 | 1299330.55 | 471617.78 | 94817.04 | |
| Cyanocobalamin 147 | 10440.27 | 17773.72 | 9990.71 | 16669.07 | 30772.53 | 12581.20 | 9712.71 | 73602.64 | 87747.58 | 103515.89 | 83276.87 | 78245.53 | 79987.63 | 85174.38 | 15184.97 | 1377443.67 | |
| Cyanocobalamin 457 | 1904.83 | 1783.31 | 1555.47 | 2238.39 | 2859.08 | 1384.36 | 1046.99 | 7069.91 | 4704.25 | 8486.89 | 6108.11 | 7829.91 | 4989.22 | 7212.26 | 1230.64 | 169017.23 | |
| Cysteine 76 | 780667.70 | 653072.54 | 956841.25 | 688278.82 | 640980.83 | 738061.05 | 502731.00 | 119014.16 | 126964.20 | 131340.59 | 122409.37 | 127246.00 | 130217.69 | 127105.49 | 119962.91 | 243437.45 | |
| Cysteine PARENT POS | 1899584.42 | 1617558.40 | 2671302.04 | 1740677.84 | 1967491.21 | 2315155.93 | 1344974.62 | 329188.71 | 655917.30 | 638606.29 | 670498.60 | 630876.74 | 616901.18 | 569276.58 | 541526.35 | 1623064.60 | |
| Doxycycline 321 | 638.71 | 318.79 | 280.43 | 211.67 | 529.49 | 770.53 | 636.36 | 346.17 | 417.45 | 488.60 | 401.77 | 731.87 | 314.36 | 338.18 | 301.00 | 405.17 | |
| Fasnall 218 | 624311.84 | 219852685.77 | 4142117.41 | 378239999.27 | 490488664.33 | 114816519.04 | 25651.86 | 47391.83 | 25689976.29 | 480039.20 | 55409902.25 | 118262125.60 | 12592673.24 | 17504.26 | 6150.94 | 5436.95 | |
| Folic 295 | 417989.06 | 792388.04 | 541569.05 | 554717.40 | 826579.07 | 621596.93 | 377444.56 | 1915603.88 | 1782042.11 | 1828440.24 | 1704602.45 | 1828184.20 | 1746356.97 | 1869032.51 | 1636509.26 | 3921945.55 | |
| Glutamine 130 | 105672.71 | 166100.02 | 81053.12 | 217705.54 | 237893.97 | 135267.90 | 109923.87 | 97834.93 | 118428.01 | 110747.34 | 128720.13 | 128549.00 | 118695.86 | 104072.85 | 141896.84 | 203929.51 | |
| Glutamine 84 | 58546635.56 | 92247526.67 | 49142221.68 | 105620915.67 | 120200779.33 | 77558673.44 | 64143574.81 | 63621949.15 | 72580543.29 | 64885699.11 | 72268569.96 | 72949213.85 | 72108020.54 | 63766384.69 | 81828048.61 | 103690341.55 | |
| Glycine PARENT POS | 21025082.62 | 29107712.49 | 25861529.61 | 30672567.07 | 25722838.56 | 30669920.49 | 21378467.33 | 4451622.10 | 5159964.81 | 4882032.96 | 5514559.77 | 5911238.05 | 5198041.43 | 4530009.05 | 3912858.52 | 6901649.16 | |
| GSK2194069 344 | 433.25 | 350.61 | 293.16 | 363.33 | 456.81 | 362.38 | 332.85 | 182.06 | 313.70 | 163.32 | 384.93 | 329.65 | 394.59 | 163.39 | 416.01 | - | |
| Histidine 110 POS | 27663187.77 | 54516895.90 | 26378991.05 | 65612460.62 | 91067181.66 | 43561623.37 | 29461530.03 | 74144518.48 | 71194089.41 | 71111639.12 | 72357318.00 | 79124131.76 | 72137023.96 | 75290342.82 | 85437735.38 | 115435041.10 | |
| Histidine 83 | 1677838.33 | 3276687.73 | 1561919.32 | 4038955.20 | 5753513.59 | 2576641.66 | 1770400.49 | 4611167.21 | 4455747.46 | 4652967.75 | 4537136.68 | 4825876.43 | 4461894.03 | 4908627.27 | 5550207.36 | 8351244.66 | |
| Isoleucine 69 | 61964261.89 | 107855839.07 | 57594822.73 | 134198648.87 | 168241736.97 | 85868445.05 | 67471344.90 | 61243223.03 | 79526623.22 | 67408232.36 | 80061543.62 | 80551251.22 | 79643434.33 | 63233652.54 | 81141824.99 | 87991783.33 | |
| Leucine 86 | 41770921.48 | 73321854.70 | 38272406.05 | 97632779.46 | 209568077.93 | 58439739.72 | 43582602.75 | 37106026.13 | 53450670.03 | 43467147.91 | 53420667.70 | 54503667.75 | 51342956.69 | 39404982.51 | 54934292.99 | 60666013.79 | |
| Lysine 84 | 9690777.57 | 42624064.47 | 12740710.15 | 55200734.59 | 74691742.64 | 29412923.70 | 9059652.99 | 26761282.28 | 41030663.46 | 29945074.73 | 39298234.16 | 41326897.63 | 37981359.19 | 27218616.18 | 36905565.83 | 86430154.38 | |
| Malonyl-CoA 303 | 139579.29 | 40738.23 | 110957.73 | 37747.61 | 15989.25 | 44897.38 | 129985.46 | 320.07 | 100.49 | 83.50 | 155.58 | 109.21 | 121.43 | 142.14 | 108.63 | 96.42 | |
| Malonyl-CoA 428 | 121170.05 | 34046.53 | 99173.57 | 35005.15 | 14244.23 | 39493.07 | 114521.07 | - | - | - | - | - | - | 42.83 | - | - | |
| Methionine 104 | 81321998.15 | 116587568.67 | 75502804.97 | 133543510.53 | 153627773.93 | 101333109.27 | 87559043.50 | 63033927.43 | 73994875.42 | 67059307.98 | 74871550.77 | 74691735.83 | 74171272.49 | 65294248.73 | 76045251.09 | 83683788.40 | |
| Methionine 61 | 38977221.03 | 61820537.47 | 36132443.49 | 74227689.65 | 90577866.40 | 51752908.60 | 42279466.78 | 28456784.97 | 35185547.85 | 31053029.38 | 35124083.36 | 35381575.16 | 34644579.03 | 29904095.35 | 36813479.83 | 42085891.98 | |
| Methotrexate 134 | 225.62 | 174.18 | 177.15 | 320.88 | 254.02 | 272.74 | - | - | 394.51 | 342.08 | 272.92 | - | 258.57 | 429.34 | - | 159.23 | |
| Methotrexate 308 | 1644.43 | 1906.33 | 1917.05 | 1875.83 | 1542.51 | 1286.28 | 2280.48 | 491.27 | 1253.84 | 750.83 | 1027.07 | 1037.91 | 680.02 | 485.24 | 566.41 | 1106.05 | |
| Methylcobalamin 147 | 1160.31 | 780.49 | 765.62 | 889.97 | 668.98 | 807.99 | 781.63 | 164.35 | 116.74 | 167.26 | 154.31 | 173.43 | 132.81 | 207.23 | 134.73 | 341.13 | |
| Methylcobalamin 636 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| Myristoyl-CoA 428 | 104723.26 | 86944.30 | 127909.15 | 71022.96 | 38339.52 | 118188.10 | 101392.24 | 158.50 | 79.26 | 109.11 | 120.75 | 157.07 | 251.02 | 112.54 | 79.63 | 79.38 | |
| NAD+ 428 | 49145960.77 | 29788851.74 | 44756600.12 | 30384062.26 | 26389710.37 | 32651662.96 | 48812757.97 | 1913.44 | 1416.37 | 1687.60 | 821.53 | 1375.97 | 1146.81 | 5202.06 | 449.14 | - | |
| NAD+ 524 | 37055665.71 | 24304105.58 | 34515770.32 | 24100019.64 | 20851299.68 | 25760497.94 | 36067125.24 | 2545.94 | 2696.77 | 2719.81 | 1300.15 | 2077.86 | 3035.73 | 7595.11 | 2147.30 | 596.44 | |
| NADH 348 | 428303.25 | 1133561.86 | 1024295.12 | 1264734.48 | 717713.34 | 1215629.00 | 411221.61 | - | - | 281.66 | 95.35 | 93.28 | - | 94.39 | 479.28 | 223.93 | |
| NADH 649 | 988186.57 | 2718836.72 | 2420900.41 | 3030519.35 | 1675705.25 | 3008695.42 | 931870.40 | 662.03 | 657.29 | 604.44 | 846.36 | 737.22 | 544.31 | 852.51 | 745.59 | 500.29 | |
| Niaciamide 106 | 222118.70 | 261644.67 | 259084.16 | 211447.87 | 210870.51 | 230235.91 | 228747.27 | 392728.06 | 453038.21 | 435153.21 | 419416.72 | 418184.55 | 449460.95 | 478191.48 | 425279.08 | 1403844.17 | |
| Niaciamide 80 | 9718834.04 | 12386750.03 | 11193586.34 | 10336717.81 | 10917113.90 | 10668271.21 | 9806203.20 | 15678019.93 | 17683061.92 | 16905721.97 | 17035891.30 | 16940278.48 | 17427938.11 | 18836037.44 | 16836527.88 | 36421981.41 | |
| O-Acetyl-L-carnitine 145 | 7101619.16 | 7695255.30 | 7280704.20 | 7018923.50 | 5976374.23 | 8439107.80 | 7163460.78 | 147735.76 | 167385.57 | 166363.28 | 172230.68 | 152331.96 | 155882.85 | 130993.11 | 1722.99 | - | |
| O-Acetyl-L-carnitine 85 | 230643326.77 | 230811727.67 | 239400735.40 | 217166737.27 | 224411327.43 | 251718301.63 | 243119976.73 | 7688994.96 | 8389321.34 | 8420057.54 | 8738752.01 | 7996744.07 | 7970943.98 | 6574079.55 | 79876.58 | 1824.48 | |
| Ornithine 70 | 19896758.36 | 24962605.49 | 19346703.62 | 30270077.37 | 39123503.90 | 19634587.78 | 20757782.93 | 21310581.99 | 14937262.63 | 19844163.34 | 14193759.07 | 13968947.25 | 15095794.24 | 21544904.47 | 1141212.76 | 60865.56 | |
| pABA 120 | 6016.04 | 11798.18 | 8633.75 | 15526.65 | 76391.15 | 14542.01 | 4615.88 | 9497.40 | 44657.44 | 6814.66 | 96877.92 | 217241.37 | 26682.04 | 10015.09 | 781196.75 | 72642.24 | |
| Pantothenic 202 | 13170492.77 | 8138903.58 | 11373312.49 | 8139394.96 | 7174368.88 | 8526262.62 | 14944362.29 | 2868037.66 | 3104140.11 | 2855978.27 | 2927790.11 | 3049389.02 | 3045821.36 | 3083086.44 | 1679145.12 | 13286113.13 | |
| Penicillin G 289 POS | 26546150.26 | 35354194.26 | 32498009.03 | 28297689.36 | 34101778.44 | 29773629.54 | 25636566.80 | 79761343.80 | 81991827.62 | 81188860.73 | 82583883.61 | 80456258.76 | 81444084.89 | 81021592.37 | 89779988.38 | 3679.60 | |
| Proline 70 | 36141282.80 | 39318978.37 | 39389217.13 | 42879270.94 | 47882409.67 | 38077294.46 | 34901531.12 | 16454790.68 | 17968919.35 | 17975147.24 | 18482186.06 | 18377349.41 | 18379512.92 | 15941258.73 | 16968052.93 | 15502139.50 | |
| Puro Heavy 121 | 2585.07 | 1588.78 | 2499.04 | 1545.87 | 2202.18 | 2597.88 | 2701.56 | 1224.40 | 906.22 | 988.04 | 554.82 | 1249.31 | 1000.92 | 1281.86 | 1346.52 | 818.48 | |
| Pyridoxine 134 | 8616504.24 | 9611989.32 | 9498362.33 | 8075414.92 | 9054051.03 | 8231017.82 | 8244246.05 | 18484702.28 | 18782154.70 | 18828828.33 | 18559577.27 | 19348345.59 | 18951142.88 | 19084196.25 | 22071863.61 | 45683287.03 | |
| Pyridoxine 152 | 11064637.93 | 12475626.95 | 12292841.73 | 10475299.63 | 11557684.23 | 10750831.94 | 10502757.67 | 23178493.05 | 23791903.62 | 23998978.14 | 24189816.07 | 24489361.34 | 23760017.51 | 24484497.04 | 28401927.59 | 54762757.39 | |
| Serine 60 | 33974753.42 | 45752053.25 | 28338217.07 | 56290938.71 | 65579887.99 | 36408438.16 | 37108807.41 | 21872656.78 | 29998762.93 | 24599826.93 | 31425333.10 | 29455447.63 | 30687533.00 | 23130625.54 | 30995509.47 | 27894680.77 | |
| Thiamine 122 | - | - | - | - | - | - | - | 13618254.21 | 11031885.83 | - | - | - | - | - | - | - | |
| Threonine 102 | 6125327.23 | 10058708.10 | 5914740.88 | 13334151.95 | 18316885.93 | 7971719.12 | 6272126.34 | 11065212.07 | 12093759.15 | 10984834.01 | 12389333.78 | 13089940.16 | 11662173.98 | 11424942.32 | 12773907.26 | 35576742.93 | |
| Threonine 74 POS | 11760050.87 | 18559964.79 | 11128032.27 | 24458181.60 | 32808577.57 | 15816289.62 | 11874229.06 | 20620018.54 | 22746743.94 | 20981518.96 | 23602709.13 | 24823575.46 | 22719137.60 | 21489013.06 | 24310662.18 | 61189335.85 | |
| Tryptophan 118 | 13561710.71 | 27310234.82 | 13006040.44 | 34552398.41 | 44763757.08 | 21659269.46 | 14725303.15 | 8205662.51 | 10693943.72 | 8905861.73 | 10791919.09 | 10956491.32 | 10859858.99 | 8637144.55 | 11144214.83 | 17654173.30 | |
| Tryptophan 146 | 39939063.13 | 75398917.04 | 37733222.19 | 93722451.47 | 114566901.80 | 61819261.55 | 43600141.11 | 24835953.56 | 32029669.07 | 27076316.35 | 32145157.43 | 32333969.81 | 31873262.97 | 25236387.50 | 33394112.71 | 51110837.54 | |
| TVB-2640 386 | - | 508.75 | - | 168.99 | 167.76 | 166.33 | - | - | - | - | - | - | - | - | - | - | |
| TVB-2640 412 | 468.99 | 499.82 | 653.07 | 764.03 | 539.57 | 732.52 | 412.37 | 245.69 | 617.83 | 325.48 | 727.28 | 380.15 | 240.19 | 396.21 | 306.69 | 208.38 | |
| TVB-3166 116 | 12145.95 | 10926.30 | 7524.61 | 11167.24 | 9464.98 | 11707.09 | 9201.72 | 3145.79 | 3261.35 | 2515.74 | 2450.08 | 2468.84 | 2702.17 | 3495.51 | 1341.83 | 888.91 | |
| TVB-3166 342 | 710.10 | 564.17 | 602.22 | 360.05 | 454.77 | 401.58 | 507.43 | 331.45 | 517.82 | 359.58 | 334.90 | 404.74 | 166.05 | 396.47 | - | 483.62 | |
| Tyrosine 123 | 46494564.30 | 86583353.37 | 42378109.81 | 109988637.79 | 136331119.20 | 71232347.52 | 52482346.11 | 46381315.59 | 54023331.59 | 47968644.30 | 55293434.39 | 56238352.06 | 53175066.46 | 46041375.89 | 53002420.22 | 83330356.30 | |
| Tyrosine 136 | 58887864.18 | 101584936.68 | 50252182.18 | 122700822.07 | 153572332.57 | 80925042.96 | 61662466.73 | 53299512.68 | 61604401.02 | 55327500.94 | 66824815.12 | 65666434.73 | 63468531.11 | 55066469.06 | 62697607.60 | 95300569.58 | |
| Urea 44 | 8350086.90 | 4640286.83 | 7534775.41 | 3832078.11 | 3604994.30 | 4420191.65 | 8153581.09 | 13801550.76 | 10310405.23 | 12604449.11 | 9543787.16 | 9443861.92 | 9556289.27 | 14326357.15 | 1553278.88 | 72710.55 | |
| Valine 55 | 9042463.19 | 21862265.20 | 9103926.92 | 27050620.94 | 33053969.44 | 17744712.71 | 9820218.16 | 10634039.28 | 16487092.98 | 12410050.66 | 16547212.72 | 16784338.56 | 16134444.16 | 11164104.51 | 16054793.48 | 37260928.97 | |
| Valine 72 | 27034174.29 | 61038401.41 | 27877714.66 | 72007209.47 | 85959962.74 | 50728371.94 | 29048269.84 | 30506586.97 | 45685087.46 | 35956074.72 | 45654415.17 | 46501502.73 | 45150309.06 | 31913966.71 | 44431045.90 | 88029008.56 | |
| VY-3-135 355 | 1323.89 | 1054.15 | 1566.65 | 841.21 | 1549.55 | 71420.16 | 989.15 | 1010.59 | 650.45 | 637.68 | 635.97 | 503.24 | 365.77 | 959.20 | 623.03 | 397.69 | |
| VY-3-135 412 | 40961.29 | 73675.27 | 63414.24 | 27918.38 | 26030.20 | 2221689.50 | 26016.93 | 11390.70 | 10078.91 | 23446.15 | 7141.30 | 7340.42 | 5221.78 | 11132.90 | 13499.84 | 3587.83 | |
| VY-7-137 233 | - | 612.40 | 502.40 | 903.65 | 718.65 | 417.10 | 2389.80 | - | - | - | 493.10 | - | - | - | - | - | |
| VY-7-137 508 | 46634.71 | 102149.95 | 71436.00 | 172972.81 | 187551.04 | 109253.00 | 41834.28 | 5548.64 | 12770.69 | 7761.10 | 17158.31 | 16777.61 | 14350.87 | 6379.48 | 23318.59 | 1727.96 |
Factors:
| F1 | Sample source:BT-474 breast cancer cells | Sample Type:Intracellular | Drug Treatment:0.1 uM Fasnall |
| F2 | Sample source:BT-474 breast cancer cells | Sample Type:Intracellular | Drug Treatment:10 uM Fasnall |
| F3 | Sample source:BT-474 breast cancer cells | Sample Type:Intracellular | Drug Treatment:1 uM Fasnall |
| F4 | Sample source:BT-474 breast cancer cells | Sample Type:Intracellular | Drug Treatment:20 uM Fasnall |
| F5 | Sample source:BT-474 breast cancer cells | Sample Type:Intracellular | Drug Treatment:40 uM Fasnall |
| F6 | Sample source:BT-474 breast cancer cells | Sample Type:Intracellular | Drug Treatment:5 uM Fasnall |
| F7 | Sample source:BT-474 breast cancer cells | Sample Type:Intracellular | Drug Treatment:Control |
| F8 | Sample source:BT-474 breast cancer cells | Sample Type:Medium | Drug Treatment:0.1 uM Fasnall |
| F9 | Sample source:BT-474 breast cancer cells | Sample Type:Medium | Drug Treatment:10 uM Fasnall |
| F10 | Sample source:BT-474 breast cancer cells | Sample Type:Medium | Drug Treatment:1 uM Fasnall |
| F11 | Sample source:BT-474 breast cancer cells | Sample Type:Medium | Drug Treatment:20 uM Fasnall |
| F12 | Sample source:BT-474 breast cancer cells | Sample Type:Medium | Drug Treatment:40 uM Fasnall |
| F13 | Sample source:BT-474 breast cancer cells | Sample Type:Medium | Drug Treatment:5 uM Fasnall |
| F14 | Sample source:BT-474 breast cancer cells | Sample Type:Medium | Drug Treatment:Control |
| F15 | Sample source:NA | Sample Type:Medium | Drug Treatment:10 uM Fasnall |
| F16 | Sample source:NA | Sample Type:QC | Drug Treatment:NA |