Data for ST003411
| Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 | F9 | F10 | F11 | F12 | F13 | F14 | F15 | F16 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Acetyl-CoA 303 | 2403518.00 | 2318882.17 | 2022397.91 | 2490088.60 | 2352720.00 | 2361979.31 | 2161737.62 | 379.47 | 413.72 | 406.69 | 525.35 | 358.58 | 447.75 | 531.68 | 309.92 | 247.08 | |
| Acetyl-CoA 428 | 316670.20 | 305983.38 | 271556.90 | 327340.53 | 311070.03 | 308298.68 | 268533.59 | 124.40 | 191.06 | 128.54 | 97.95 | 67.51 | 98.55 | 141.36 | 97.18 | - | |
| Acyl-L-carnitine (18:2) 85 | 29521.93 | 39811.34 | 34439.25 | 34139.89 | 23375.01 | 28770.62 | 30320.60 | 12029.66 | 13105.31 | 20940.61 | 14781.44 | 21673.79 | 12945.98 | 17359.75 | 21489.51 | 3133.18 | |
| Adenosylcobalamin 147 | 3715.90 | 4462.76 | 2419.45 | 2050.33 | 2708.21 | 3298.83 | 1865.18 | 235.86 | 171.87 | 226.58 | 198.72 | 312.82 | 297.75 | 188.12 | 240.98 | 293.40 | |
| Adenosylcobalamin 341 | 327.77 | 352.68 | 234.44 | 153.71 | 138.33 | 285.98 | 298.94 | - | - | - | - | - | - | 44.05 | - | - | |
| Alanine PARENT POS | 53292157.34 | 53591734.74 | 51608498.39 | 53386624.10 | 52011267.83 | 52748202.16 | 48872080.42 | 21092821.87 | 23070196.91 | 23861099.69 | 23660967.39 | 22005467.81 | 24241005.89 | 22716878.65 | 1745035.15 | 16073520.75 | |
| Asparagine 87 | 8943261.27 | 10218730.36 | 12536796.15 | 9370532.41 | 9934347.91 | 9938018.56 | 8159271.49 | 33434028.52 | 34254205.02 | 34702459.95 | 34250453.59 | 33526825.70 | 35311347.58 | 34419956.33 | 35369682.55 | 5251605.48 | |
| Biotin 227 | 9694327.97 | 6308838.12 | 5199823.00 | 5765168.46 | 6648353.10 | 5043039.90 | 4797703.45 | 4294303.32 | 4488397.07 | 4760314.68 | 4434583.91 | 4332349.83 | 4857495.28 | 4274422.30 | 4246391.14 | 116782.28 | |
| Cerulenin 207 | 783389.38 | 584513.94 | 723428.31 | 929001.36 | 570081.23 | 613162.42 | 538972.56 | 837929.62 | 834016.41 | 886926.64 | 895856.05 | 908342.34 | 861384.16 | 1053062.44 | 929367.23 | 4114412.17 | |
| Cerulenin 89 | 4646278.21 | 2278189.77 | 4006631.48 | 5633732.78 | 2321476.14 | 2429214.64 | 2291040.73 | 3324046.10 | 3200706.63 | 2939934.13 | 3728085.76 | 3489017.52 | 2721626.30 | 4413035.67 | 4189180.85 | 415152.18 | |
| Choline 60 | 21638621.10 | 22098438.96 | 25338799.91 | 26514843.39 | 28044593.40 | 25685182.95 | 21337620.94 | 68656387.71 | 70785029.26 | 74509913.16 | 69228761.63 | 69876464.59 | 73027600.22 | 65785401.64 | 115072739.80 | 276002871.95 | |
| Citrulline 113 | 5709.69 | 5917.23 | 6579.27 | 6112.56 | 4297.73 | 5423.60 | 6773.22 | 65276.93 | 66455.07 | 63766.16 | 59556.23 | 61765.58 | 63346.79 | 65543.78 | 65195.83 | 12248.15 | |
| Citrulline 70 | 181597.87 | 180349.94 | 168615.91 | 164989.78 | 148436.33 | 127659.04 | 150695.34 | 2196097.88 | 2134914.44 | 2256568.12 | 2164827.81 | 2004691.54 | 2232792.04 | 2149118.81 | 2036395.77 | 387019.65 | |
| Cyanocobalamin 147 | 6127.91 | 6035.82 | 5188.46 | 6037.75 | 5394.72 | 3480.75 | 4427.24 | 45940.06 | 40319.42 | 37422.71 | 53006.58 | 37791.43 | 51092.75 | 46569.60 | 42376.46 | 7003872.83 | |
| Cyanocobalamin 457 | 803.08 | 575.32 | 561.81 | 579.67 | 360.88 | 401.49 | 600.30 | 2992.73 | 4319.24 | 3457.07 | 3062.97 | 3803.90 | 3845.17 | 2752.58 | 3577.24 | 698060.10 | |
| Cysteine 76 | 1409671.37 | 1597235.80 | 1134325.61 | 1417123.07 | 1403042.76 | 1134472.08 | 1067304.86 | 217769.61 | 261268.58 | 261178.31 | 230765.63 | 226336.94 | 302821.60 | 250830.78 | 351359.69 | 571715.51 | |
| Cysteine PARENT POS | 27757971.67 | 34546273.73 | 34710225.34 | 31741882.46 | 28248489.34 | 37090901.58 | 28106997.20 | 42030897.43 | 41569212.24 | 38573531.93 | 41619664.64 | 40301188.70 | 36776526.54 | 41409997.33 | 40629684.98 | 27631934.54 | |
| Doxycycline 321 | 151.34 | 820.05 | 383.21 | 462.82 | 365.36 | 379.96 | 292.60 | 608.27 | 330.59 | 287.68 | 437.23 | 582.71 | 418.60 | 497.23 | 229.74 | 350.16 | |
| Fasnall 218 | 1460.80 | 1465.26 | 1949.76 | 1994.71 | 1216.71 | 1173.17 | 1739.75 | 5153.10 | 4714.68 | 3634.82 | 5154.33 | 3361.57 | 4467.25 | 4099.86 | 4514.08 | 1088.18 | |
| Folic 295 | 672037.35 | 837429.56 | 727070.84 | 642661.20 | 657455.90 | 502928.80 | 504223.35 | 6281446.04 | 6596812.46 | 6766731.02 | 6619557.31 | 6051947.68 | 6569718.45 | 6522303.54 | 5617026.04 | 18794563.39 | |
| Glutamine 130 | 90309.54 | 89008.35 | 100679.98 | 85197.42 | 91228.06 | 82959.18 | 80957.89 | 233002.95 | 244695.82 | 235795.35 | 241413.57 | 243109.60 | 250153.40 | 247472.33 | 267276.40 | 439936.78 | |
| Glutamine 84 | 54647548.22 | 54262126.68 | 59072735.90 | 53514247.46 | 57554898.84 | 51272938.83 | 50356927.19 | 120122884.10 | 124005988.63 | 123396604.53 | 121873990.73 | 122052190.60 | 124264186.00 | 124476638.03 | 133225172.13 | 176765066.30 | |
| Glycine PARENT POS | 12710833.28 | 12317118.34 | 11294088.76 | 11843480.47 | 12099812.44 | 11322014.12 | 11581742.60 | 10913777.46 | 10684242.56 | 10807364.09 | 10641196.72 | 10380637.94 | 11085340.01 | 10878346.89 | 10725958.53 | 21244470.96 | |
| GSK2194069 344 | 284.65 | 185.32 | 369.34 | 197.30 | 198.54 | 265.82 | 549.12 | 243.48 | 336.55 | 252.15 | 266.65 | 337.11 | 160.35 | 183.57 | 191.63 | 236.76 | |
| Histidine 110 POS | 92691742.04 | 103807361.38 | 101845280.94 | 94925837.99 | 94302333.15 | 88857354.24 | 85288988.42 | 223273057.10 | 228368999.77 | 226020233.03 | 227053759.77 | 226296233.23 | 226449104.03 | 225074141.97 | 226896000.27 | 186779875.25 | |
| Histidine 83 | 24141683.03 | 28997534.40 | 27923825.02 | 25286924.00 | 25423247.00 | 23580496.39 | 23596617.88 | 106563499.70 | 109756963.00 | 107929783.33 | 106531904.20 | 106898224.00 | 108903337.80 | 107998269.47 | 111870535.40 | 141112943.05 | |
| Isoleucine 69 | 58992102.32 | 68343422.81 | 63894138.46 | 59669248.08 | 57656806.22 | 53595672.94 | 54275199.45 | 172004765.50 | 175047735.30 | 174415321.07 | 170947500.10 | 173231647.63 | 175988517.10 | 172173521.27 | 191600719.50 | 196850998.60 | |
| Leucine 86 | 39279762.66 | 44728589.08 | 45780549.08 | 37527138.26 | 36840164.41 | 34135268.32 | 37220306.10 | 116743670.73 | 116384482.77 | 105921288.95 | 109345741.63 | 101004098.12 | 115953036.96 | 109208813.63 | 121985032.33 | 126826605.85 | |
| Lysine 84 | 8891353.69 | 11874922.19 | 10484256.89 | 8399045.12 | 8547965.08 | 6214062.33 | 6748660.67 | 127145678.20 | 131479036.77 | 131494607.37 | 128282382.17 | 129668560.27 | 135062915.70 | 129632826.53 | 145909079.73 | 256303110.25 | |
| Malonyl-CoA 303 | 48088.77 | 40461.34 | 32899.10 | 36989.73 | 35640.78 | 36380.10 | 33365.36 | 145.93 | 199.41 | 207.67 | 202.49 | 213.86 | 130.45 | 222.96 | 234.33 | 274.72 | |
| Malonyl-CoA 428 | 37095.88 | 31363.89 | 26568.14 | 30032.78 | 29152.50 | 27384.23 | 25289.35 | - | 60.94 | - | 83.39 | 33.84 | - | 78.00 | - | 98.95 | |
| Methionine 104 | 61520068.14 | 70060972.30 | 63809710.91 | 60499325.15 | 58620467.78 | 56070721.63 | 56870442.32 | 145982643.23 | 147284853.70 | 147774708.30 | 146564013.13 | 143530543.27 | 149413106.70 | 146549150.67 | 154460952.23 | 167317545.15 | |
| Methionine 61 | 27771061.94 | 32597326.81 | 28868954.38 | 27481421.25 | 26630236.87 | 25394980.74 | 25913752.69 | 86679166.11 | 88341800.79 | 89586249.25 | 87827594.16 | 86710718.06 | 90945597.49 | 88905930.57 | 95055649.51 | 112873351.95 | |
| Methotrexate 134 | 325.84 | 265.07 | 164.18 | 379.42 | 162.99 | 288.49 | 836.92 | - | 137.37 | 215.53 | 135.33 | 204.86 | - | 320.74 | 166.12 | - | |
| Methotrexate 308 | 1019.19 | 708.83 | 542.16 | 757.75 | 447.76 | 892.05 | 640.97 | 408.08 | 691.37 | 632.53 | 478.05 | 312.49 | 386.79 | 848.99 | 611.15 | 262.31 | |
| Methylcobalamin 147 | 531.00 | 495.97 | 595.67 | 447.30 | 731.24 | 509.14 | 688.96 | 430.32 | 413.01 | 200.38 | 394.77 | 446.44 | 225.90 | 332.26 | 215.38 | 2215.55 | |
| Methylcobalamin 636 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 545.62 | |
| Myristoyl-CoA 428 | 127079.95 | 160929.71 | 103811.62 | 134568.54 | 99683.49 | 127438.75 | 117597.95 | 146.91 | 131.15 | 140.05 | 116.40 | 131.18 | 120.37 | 171.73 | 82.36 | 83.01 | |
| NAD+ 428 | 27387622.75 | 26048430.50 | 24035598.81 | 26429799.55 | 26345580.79 | 25606429.04 | 23444379.15 | 6019.79 | 3108.99 | 4164.20 | 9416.55 | 3310.37 | 4869.86 | 11321.15 | 117.42 | 117.28 | |
| NAD+ 524 | 19564114.72 | 18426382.27 | 16709621.18 | 18437236.20 | 18586377.76 | 17869881.67 | 16937654.40 | 3865.72 | 4140.06 | 4678.67 | 6632.72 | 4055.42 | 6095.49 | 10082.52 | 819.37 | 783.70 | |
| NADH 348 | 701090.22 | 768559.98 | 420834.96 | 573119.58 | 521436.34 | 441786.86 | 660889.08 | - | 74.12 | 116.52 | 139.79 | - | 78.75 | 119.06 | 230.18 | 229.54 | |
| NADH 649 | 1714915.61 | 1872455.22 | 1056476.02 | 1332180.65 | 1248154.11 | 1088299.19 | 1579515.34 | 496.37 | 680.05 | 1151.29 | 671.23 | 432.38 | 886.03 | 473.38 | 902.45 | 543.46 | |
| Niaciamide 106 | 227316.57 | 271257.22 | 274626.97 | 245554.22 | 249498.93 | 210002.00 | 193535.71 | 875544.77 | 1025582.68 | 1176642.58 | 983735.60 | 941705.66 | 1168153.91 | 869565.58 | 1207206.90 | 2092181.41 | |
| Niaciamide 80 | 12386785.96 | 15555485.34 | 15011700.53 | 13614490.41 | 13808204.65 | 11573331.03 | 10698310.98 | 49740859.28 | 56697676.08 | 65627317.45 | 55040784.34 | 52355685.84 | 64470239.07 | 49196397.27 | 69459177.80 | 118948194.25 | |
| O-Acetyl-L-carnitine 145 | 550559.36 | 548762.76 | 482075.49 | 540042.60 | 527918.50 | 521470.88 | 493197.93 | 43118.02 | 40488.45 | 42138.68 | 42185.60 | 44371.68 | 42957.85 | 41597.70 | 12015.12 | - | |
| O-Acetyl-L-carnitine 85 | 27528973.05 | 27412931.31 | 24213991.44 | 27588821.96 | 26462778.89 | 25700276.95 | 25091281.83 | 1972777.02 | 2021662.71 | 2039773.95 | 2013522.02 | 1997506.72 | 2048913.84 | 2004399.15 | 327388.21 | 3006.13 | |
| Ornithine 70 | 11712489.27 | 14923988.01 | 12842507.02 | 11402930.67 | 11482841.42 | 9272938.90 | 9273972.89 | 98020496.19 | 100516274.23 | 101320638.43 | 99833715.21 | 99532881.23 | 103311280.33 | 98733674.10 | 86437775.99 | 264472.49 | |
| pABA 120 | 24358.37 | 26990.24 | 21995.23 | 16796.86 | 18930.54 | 11445.44 | 12308.59 | 257519.80 | 313177.19 | 290297.27 | 270882.04 | 301360.40 | 295069.46 | 276094.83 | 2579885.99 | 186347.63 | |
| Pantothenic 202 | 6445547.07 | 4651889.38 | 4138955.38 | 4778962.97 | 5107429.13 | 4545233.46 | 3965117.64 | 1126155.89 | 1468236.18 | 1587438.74 | 1990277.00 | 1497221.48 | 1481501.84 | 1705040.74 | 1933286.40 | 6979971.74 | |
| Penicillin G 289 POS | 31855981.95 | 38141968.81 | 35265658.23 | 32601031.31 | 32447958.97 | 26896408.70 | 27500370.12 | 74243883.42 | 74639427.17 | 75591381.48 | 74256708.03 | 73535460.34 | 76405366.44 | 74671721.77 | 74053034.42 | 1823.56 | |
| Proline 70 | 19050536.59 | 20311244.29 | 18187604.49 | 18326628.65 | 17973252.52 | 16372431.99 | 16217949.92 | 40725306.75 | 41704159.01 | 42037362.63 | 40985459.44 | 40928580.03 | 42599649.42 | 41631924.88 | 44263449.73 | 43272906.80 | |
| Puro Heavy 121 | 1993.61 | 1066.51 | 3177.69 | 4040.04 | 1221.28 | 1062.07 | 2100.05 | 1532.49 | 3008.98 | 3338.44 | 2036.74 | 18388.56 | 2520.94 | 2115.84 | 2034.36 | 1162.30 | |
| Pyridoxine 134 | 8130902.21 | 9599420.87 | 8742583.44 | 7732705.62 | 7940541.91 | 6168594.43 | 6480938.95 | 35576442.06 | 36814893.48 | 37401834.84 | 35009444.06 | 34861918.74 | 37797349.64 | 34260812.81 | 40426027.26 | 91467476.53 | |
| Pyridoxine 152 | 10196552.12 | 11855269.65 | 10688074.95 | 9564019.19 | 9834655.37 | 7623669.65 | 7999658.42 | 43109716.94 | 44373504.47 | 45515649.18 | 42674760.12 | 43208497.12 | 47003941.57 | 42327292.89 | 48967078.49 | 105690447.95 | |
| Serine 60 | 29279481.20 | 33699803.48 | 32386780.94 | 32821053.28 | 31526507.25 | 30681888.49 | 29936692.34 | 67628587.60 | 68561475.08 | 68557496.53 | 68343186.98 | 67437058.58 | 70474469.11 | 68375810.42 | 79575877.53 | 76641270.69 | |
| Thiamine 122 | 16185934.90 | 18871618.69 | 17091624.48 | 15649671.75 | 15663725.65 | 13719604.04 | 14070915.67 | 76230166.61 | 78670173.64 | 82414915.85 | 78313820.84 | 77008770.76 | 80516508.74 | 78772529.11 | 70703234.08 | 190060922.05 | |
| Threonine 102 | 5893644.87 | 6440852.35 | 6333361.90 | 6285033.01 | 6189773.20 | 5773568.96 | 5609965.40 | 25583597.66 | 26473140.20 | 26398860.42 | 25817504.86 | 25650948.06 | 25967616.94 | 26018394.48 | 28840981.90 | 69277833.53 | |
| Threonine 74 POS | 11668661.70 | 12788838.53 | 12465039.67 | 12207422.13 | 12225237.46 | 11566323.20 | 11064769.42 | 46085665.77 | 46750846.62 | 46810698.62 | 46364483.94 | 45413738.58 | 47429040.94 | 47092516.75 | 51688564.15 | 104591173.85 | |
| Tryptophan 118 | 9935222.10 | 11432425.70 | 9383113.28 | 9431409.07 | 9516991.70 | 8440019.34 | 8420048.09 | 33823161.92 | 34356114.41 | 35606687.53 | 34014964.59 | 33850006.75 | 35849263.41 | 34709929.36 | 40619853.70 | 73607724.95 | |
| Tryptophan 146 | 28790548.15 | 32945871.59 | 26781703.24 | 28130223.19 | 27855230.59 | 24530659.92 | 24983281.70 | 90229221.00 | 91631560.56 | 94605647.14 | 90515155.72 | 90275977.16 | 95214155.09 | 93299287.80 | 105212067.77 | 158366067.35 | |
| TVB-2640 386 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | - | |
| TVB-2640 412 | 456.14 | 344.93 | 455.86 | 425.94 | 379.67 | 504.68 | 428.70 | 330.91 | 453.19 | 381.03 | 355.69 | 320.42 | 408.79 | 323.54 | 232.65 | 252.49 | |
| TVB-3166 116 | 9286.32 | 14217.97 | 9936.84 | 11333.30 | 5968.26 | 11940.05 | 9253.92 | 10117.55 | 9126.75 | 8570.18 | 9058.39 | 5350.67 | 5696.46 | 10628.30 | 3322.72 | 1904.55 | |
| TVB-3166 342 | 355.89 | 791.87 | 786.06 | 345.51 | 351.61 | 400.44 | 410.42 | 217.02 | 327.09 | 248.21 | 359.47 | 169.15 | 153.98 | 312.92 | 181.23 | 96.30 | |
| Tyrosine 123 | 33626361.35 | 44615915.96 | 36983138.30 | 36124482.16 | 33460638.99 | 32610463.80 | 31547234.76 | 127988940.93 | 130702471.63 | 131932925.13 | 126275266.13 | 126840859.37 | 133475633.70 | 129965236.80 | 140888498.97 | 197810413.65 | |
| Tyrosine 136 | 41589563.94 | 54516586.85 | 46199934.73 | 42051526.37 | 39750483.60 | 38891189.78 | 38916219.85 | 143962149.17 | 150509581.70 | 150577775.73 | 146778108.60 | 145455952.27 | 151934147.57 | 148682277.67 | 153593082.37 | 208208945.25 | |
| Urea 44 | 6449020.44 | 7360439.03 | 6834644.88 | 6263654.36 | 6230216.72 | 5515919.31 | 5573629.53 | 30765953.01 | 30934590.66 | 31595104.61 | 30768377.89 | 30928515.40 | 31749988.65 | 31187463.98 | 23535876.91 | 26412.16 | |
| Valine 55 | 9714013.49 | 11413485.51 | 10754607.17 | 9995055.26 | 9556474.41 | 9178727.16 | 9014665.45 | 35466178.92 | 36360603.31 | 36796085.30 | 35665040.72 | 35527463.23 | 37183535.32 | 35891727.94 | 42949918.17 | 93794385.70 | |
| Valine 72 | 28713466.83 | 33368510.49 | 30728401.90 | 29316949.91 | 28147559.86 | 26677793.18 | 26894967.40 | 90019868.25 | 92717087.45 | 93356930.50 | 90221910.70 | 90911416.98 | 93105178.92 | 91489433.99 | 104863905.27 | 185042296.25 | |
| VY-3-135 355 | 1174.23 | 615.30 | 1363.62 | 976.81 | 627.57 | 596.07 | 1250.55 | 1730.24 | 1486.54 | 2472.14 | 1930.15 | 1665.96 | 1622.53 | 2183.07 | 1714.33 | 206.01 | |
| VY-3-135 412 | 31750.87 | 35904.06 | 43644.94 | 46968.29 | 19682.91 | 28640.02 | 37322.93 | 25298.35 | 29165.99 | 62677.03 | 61218.89 | 48278.54 | 29917.99 | 22429.39 | 23084.16 | 5452.05 | |
| VY-7-137 233 | 834.99 | 338.69 | 427.89 | 299.75 | 581.22 | 454.78 | 331.35 | 3255.90 | 496.87 | 330.89 | 1186.97 | 1837.02 | 618.82 | 491.12 | 393.24 | 219.42 | |
| VY-7-137 508 | 90451.68 | 89797.93 | 100266.50 | 88935.05 | 77987.29 | 80828.20 | 101725.85 | 60853.10 | 64872.03 | 65892.79 | 74415.28 | 66205.22 | 93907.17 | 82778.13 | 146778.10 | 2804.61 |
Factors:
| F1 | Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug Treatment:100 uM C75 |
| F2 | Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug Treatment:15 uM C75 |
| F3 | Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug Treatment:1 uM C75 |
| F4 | Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug Treatment:20 uM C75 |
| F5 | Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug Treatment:40 uM C75 |
| F6 | Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug Treatment:5 uM C75 |
| 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:100 uM C75 |
| F9 | Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug Treatment:15 uM C75 |
| F10 | Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug Treatment:1 uM C75 |
| F11 | Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug Treatment:20 uM C75 |
| F12 | Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug Treatment:40 uM C75 |
| F13 | Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug Treatment:5 uM C75 |
| F14 | Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug Treatment:Control |
| F15 | Sample source:NA | Sample Type:Medium | Drug Treatment:NA |
| F16 | Sample source:NA | Sample Type:QC | Drug Treatment:NA |