Data for ST000054
Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 | F9 | F10 | F11 | F12 | F13 | F14 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
1-monopalmitin | 225.24 | 531.00 | 279.40 | 1282.25 | 415.38 | 912.25 | 150.52 | 762.67 | 240.50 | 383.50 | 144.30 | 523.00 | 1589.32 | 3626.62 | |
1-monostearin | 220.71 | 728.25 | 291.12 | 701.25 | 405.12 | 775.75 | 133.70 | 398.50 | 204.05 | 346.50 | 152.90 | 337.25 | 914.75 | 8514.38 | |
2-hydroxybutanoic acid | 82846.38 | 99360.00 | 62004.36 | 97553.25 | 115940.88 | 109245.00 | 77457.57 | 76006.67 | 66747.05 | 60077.50 | 61566.30 | 72809.25 | 85272.54 | 84980.56 | |
alpha-ketoglutarate | 346.81 | 382.50 | 229.80 | 359.50 | 849.44 | 367.75 | 940.70 | 399.00 | 604.85 | 267.75 | 228.85 | 341.00 | 698.32 | 890.00 | |
alpha tocopherol | 1905.43 | 812.75 | 701.76 | 819.75 | 728.00 | 573.75 | 571.57 | 1086.00 | 1266.90 | 305.75 | 594.95 | 378.50 | 1155.43 | 2474.50 | |
aminomalonic acid | 2907.67 | 2543.50 | 3137.48 | 6562.75 | 1423.06 | 330.50 | 2810.39 | 293.50 | 1716.35 | 1371.25 | 2486.75 | 2547.75 | 3764.57 | 1361.62 | |
arachidiic acid | 59513.43 | 62390.75 | 46593.48 | 55526.50 | 56567.38 | 62541.25 | 56857.22 | 40648.33 | 61137.45 | 50767.50 | 51614.60 | 57606.25 | 52060.43 | 55649.75 | |
aspartate minor | 9108.76 | 8322.75 | 7676.08 | 10795.25 | 11437.06 | 7864.75 | 2349.22 | 4191.00 | 6788.15 | 6621.75 | 2154.05 | 2998.75 | 7134.14 | 3774.31 | |
behenic acid | 4710.52 | 4734.00 | 3643.08 | 3896.00 | 4110.94 | 4590.25 | 4419.39 | 3398.33 | 4495.05 | 3538.25 | 3915.35 | 4373.25 | 4301.68 | 5325.44 | |
benzoic acid | 63960.71 | 69828.25 | 50754.84 | 68350.50 | 60612.19 | 65446.00 | 61230.43 | 60646.33 | 63593.95 | 63573.50 | 58353.25 | 61345.50 | 60059.04 | 59165.94 | |
beta-hydroxybutyric acid | 555412.62 | 684335.50 | 316168.44 | 495193.50 | 614080.12 | 1010750.50 | 394208.96 | 481422.67 | 347453.25 | 238013.50 | 176121.00 | 176737.25 | 395365.11 | 400152.94 | |
caprylic acid | 12175.57 | 15399.25 | 10956.92 | 12887.50 | 13319.62 | 15411.25 | 12054.22 | 9987.50 | 12737.85 | 11831.75 | 11366.05 | 12639.50 | 10220.00 | 9439.56 | |
chlorogenic acid major | 90.48 | 83.00 | 81.80 | 102.00 | 86.75 | 80.75 | 84.70 | 74.50 | 85.95 | 101.50 | 85.70 | 72.75 | 79.29 | 84.06 | |
cholesterol | 137115.90 | 115653.75 | 129923.12 | 115382.50 | 154541.38 | 109779.25 | 88747.04 | 86840.33 | 117903.70 | 101467.50 | 66471.50 | 83704.75 | 68756.29 | 72774.88 | |
citric acid | 38039.95 | 32004.50 | 22794.36 | 45214.25 | 33524.81 | 20456.75 | 23331.35 | 22419.67 | 51327.05 | 34593.25 | 17394.25 | 20038.75 | 28759.79 | 16630.44 | |
creatine major dehydrated TMS3 | 7381.95 | 7521.75 | 7440.80 | 11539.75 | 8030.25 | 5639.75 | 9777.30 | 6701.67 | 5817.60 | 6367.50 | 5539.10 | 7757.00 | 9982.07 | 5683.00 | |
glutamic acid 2TMS | 8148.57 | 4479.50 | 14347.12 | 11696.75 | 11905.50 | 9463.75 | 2080.48 | 1855.00 | 11690.10 | 6083.50 | 3040.65 | 1527.00 | 5467.39 | 3846.81 | |
glycerol | 513369.76 | 727797.50 | 422772.48 | 659531.00 | 576840.31 | 719649.50 | 625068.00 | 610901.33 | 480149.55 | 467685.25 | 617541.10 | 787330.00 | 602453.43 | 586535.50 | |
heptadecanoic acid | 53163.38 | 55169.25 | 42198.76 | 56861.25 | 48137.94 | 59500.25 | 51951.74 | 43548.00 | 53731.55 | 44954.00 | 47890.55 | 60033.50 | 50871.75 | 50873.19 | |
isoleucine | 7061.19 | 4937.50 | 8386.24 | 7440.00 | 8228.12 | 6542.75 | 8621.91 | 3407.00 | 6844.90 | 4407.25 | 4038.35 | 4227.25 | 4717.11 | 4376.44 | |
lauric acid | 22024.05 | 22711.50 | 14770.48 | 15503.50 | 15743.81 | 12540.25 | 15920.48 | 17685.00 | 18268.60 | 17061.50 | 15918.45 | 17974.50 | 17401.14 | 18268.94 | |
linoleic acid | 14028.90 | 16041.25 | 10466.16 | 17825.25 | 11697.81 | 15952.50 | 15146.57 | 16987.00 | 13354.00 | 10770.00 | 13150.00 | 17297.50 | 18903.29 | 17349.06 | |
lysine | 3703.43 | 6023.75 | 3914.12 | 7064.00 | 5609.81 | 9042.25 | 4139.96 | 1691.00 | 4556.10 | 5061.25 | 3918.15 | 3697.75 | 4500.00 | 4073.38 | |
maleimide | 8270.43 | 12284.00 | 5915.64 | 12069.00 | 8172.19 | 12372.75 | 4756.39 | 2690.00 | 10176.30 | 11004.25 | 5387.45 | 5038.25 | 8581.00 | 5517.38 | |
malic acid | 10709.38 | 10395.25 | 7908.80 | 11522.25 | 9664.06 | 6703.75 | 6108.78 | 5147.67 | 7148.70 | 7382.00 | 4757.05 | 4991.50 | 8459.57 | 6814.94 | |
myristic acid | 29162.05 | 31209.00 | 24085.20 | 30368.25 | 27998.81 | 33129.00 | 28879.52 | 25967.33 | 29295.95 | 25664.25 | 26865.90 | 29986.00 | 28475.29 | 27872.38 | |
N-acetyl-L-aspartic acid 1 | 3748.19 | 3760.00 | 3505.16 | 4699.75 | 5515.19 | 5417.50 | 2867.57 | 2524.50 | 4237.45 | 3444.50 | 1965.25 | 2112.75 | 3424.64 | 5094.06 | |
octadecanol | 3650.76 | 3787.75 | 2627.24 | 3853.00 | 2985.81 | 3519.00 | 3164.87 | 3146.33 | 3205.65 | 2719.00 | 2692.95 | 2874.75 | 4114.57 | 3457.62 | |
oleic acid | 43253.29 | 52579.00 | 31868.44 | 57017.00 | 45356.94 | 55976.50 | 48283.39 | 55057.67 | 42755.05 | 35984.25 | 39857.95 | 55321.25 | 57767.79 | 54282.62 | |
oxalic acid | 115619.24 | 152521.75 | 96509.76 | 132511.75 | 143204.19 | 99036.75 | 111512.22 | 97884.00 | 183943.60 | 95613.75 | 92247.00 | 85369.75 | 120524.89 | 119906.88 | |
oxoproline | 102921.43 | 86267.00 | 142732.80 | 113992.75 | 127093.06 | 116661.25 | 69555.78 | 47966.50 | 83265.25 | 81028.25 | 54777.95 | 57927.25 | 66536.25 | 50536.88 | |
palmitic acid | 2173485.43 | 2453755.50 | 1755852.00 | 2704788.00 | 2276791.25 | 3051649.00 | 2031273.09 | 1913107.67 | 2201198.90 | 1868962.75 | 1978308.20 | 2633973.75 | 2100632.86 | 2257908.38 | |
palmitoleic acid | 221884.57 | 70012.00 | 146728.36 | 85284.25 | 126845.81 | 64818.00 | 221673.65 | 422092.50 | 184169.45 | 39351.75 | 142370.95 | 256269.25 | 197726.46 | 195756.06 | |
pelargonic acid | 23924.10 | 26928.75 | 20391.40 | 25484.00 | 24201.50 | 27179.25 | 23232.04 | 23233.67 | 24773.80 | 26169.75 | 20603.60 | 22620.50 | 20347.04 | 20301.62 | |
pentadecanoic acid | 3393.67 | 3725.25 | 2998.52 | 4784.25 | 3686.81 | 3667.75 | 3337.70 | 2888.67 | 3587.10 | 3241.50 | 2963.25 | 3331.25 | 3350.93 | 3050.12 | |
phosphate | 849201.00 | 668162.00 | 553306.48 | 963841.50 | 1013276.56 | 682969.25 | 793219.48 | 633462.00 | 741718.90 | 784974.75 | 434673.20 | 531035.00 | 566772.21 | 479175.62 | |
pinitol | 1468.24 | 1270.25 | 1336.64 | 1627.50 | 2519.38 | 1636.50 | 1477.39 | 1335.33 | 1443.45 | 1335.50 | 2081.70 | 2059.25 | 1281.86 | 1494.38 | |
proline | 6728.43 | 7918.75 | 8537.28 | 8928.25 | 11823.75 | 9061.00 | 9453.70 | 4717.50 | 8514.30 | 4243.00 | 4418.80 | 5884.75 | 5031.68 | 4200.31 | |
ribitol | 33627.57 | 36447.50 | 32480.64 | 44139.50 | 36936.88 | 40107.00 | 34912.43 | 33736.33 | 32527.25 | 31666.25 | 32041.85 | 33812.00 | 33523.57 | 31552.19 | |
salicylic acid | 325.10 | 279.75 | 235.80 | 447.25 | 246.00 | 243.00 | 573.22 | 128.00 | 257.40 | 222.75 | 239.45 | 208.00 | 321.46 | 257.31 | |
serine | 1630.52 | 842.00 | 1871.60 | 764.75 | 939.50 | 719.50 | 864.61 | 406.50 | 733.55 | 490.50 | 598.10 | 598.75 | 657.39 | 585.88 | |
serine minor | 67474.67 | 59674.75 | 78663.76 | 77579.25 | 108692.25 | 126059.75 | 40695.17 | 38931.67 | 72809.90 | 49721.00 | 43825.55 | 47095.75 | 58980.43 | 51149.50 | |
shikimic acid | 9763.43 | 9437.00 | 8497.16 | 9746.75 | 9028.81 | 8142.75 | 9222.09 | 773.50 | 9147.45 | 11640.00 | 9399.90 | 9193.75 | 2669.25 | 2137.25 | |
sorbitol | 8840.24 | 9190.50 | 57870.76 | 98816.00 | 28678.19 | 39970.50 | 30438.09 | 16585.67 | 49096.90 | 49154.00 | 52572.30 | 31983.50 | 39009.07 | 37510.62 | |
stearic acid | 2541578.57 | 3022908.50 | 2098239.80 | 2830277.75 | 2675645.00 | 3161792.25 | 2504190.30 | 2250856.33 | 2789105.70 | 2304720.25 | 2299938.05 | 2928546.50 | 2542427.61 | 2924746.56 | |
succinate semialdehyde meox1 | 12154.48 | 15819.75 | 21233.56 | 10895.50 | 27527.50 | 39652.00 | 13153.91 | 5481.50 | 34418.20 | 10006.50 | 13833.45 | 8284.25 | 6907.21 | 3981.94 | |
threonine | 1849.81 | 568.50 | 1419.24 | 538.25 | 437.25 | 410.50 | 985.04 | 198.00 | 442.80 | 264.50 | 363.55 | 401.00 | 425.61 | 326.75 | |
threonine minor | 70722.43 | 60058.00 | 76210.00 | 75146.00 | 99702.06 | 106165.00 | 43623.96 | 38500.33 | 69967.80 | 48561.50 | 39371.15 | 42759.25 | 54761.11 | 47481.31 | |
trans-4-hydroxy-L-proline minor1 | 579.90 | 558.25 | 986.40 | 1012.25 | 1620.00 | 823.75 | 476.78 | 614.00 | 511.70 | 434.25 | 444.20 | 330.75 | 644.54 | 360.88 | |
urea | 14261.90 | 3894.75 | 8695.44 | 11616.50 | 11921.69 | 5257.00 | 7789.78 | 5536.50 | 8598.20 | 22476.75 | 10850.30 | 8956.50 | 6379.50 | 3671.06 | |
valine | 141806.24 | 161089.25 | 141674.60 | 176675.50 | 191878.44 | 193037.50 | 127057.13 | 34129.00 | 138437.40 | 60542.00 | 95732.05 | 163446.75 | 110985.04 | 146695.81 | |
z dioctylphtalate | 11967.57 | 14529.75 | 7975.56 | 12244.50 | 8819.50 | 15054.50 | 9949.04 | 8399.00 | 9521.05 | 7910.75 | 8125.60 | 8503.75 | 14507.29 | 21673.38 |
Factors:
F1 | treatment:Basal | pool aliquot:no |
F2 | treatment:Basal | pool aliquot:yes |
F3 | treatment:DCIS | pool aliquot:no |
F4 | treatment:DCIS | pool aliquot:yes |
F5 | treatment:HER2 | pool aliquot:no |
F6 | treatment:HER2 | pool aliquot:yes |
F7 | treatment:LumA | pool aliquot:no |
F8 | treatment:LumA | pool aliquot:yes |
F9 | treatment:LumB | pool aliquot:no |
F10 | treatment:LumB | pool aliquot:yes |
F11 | treatment:Reduction | pool aliquot:no |
F12 | treatment:Reduction | pool aliquot:yes |
F13 | treatment:Total Pool1 | pool aliquot:yes |
F14 | treatment:Total Pool2 | pool aliquot:yes |