metabolite_name PC3_CENPF_KO_004 PC3_CENPF_KO_005 PC3_CENPF_KO_006 PC3_001 PC3_002 PC3_003 zymosterol 18882.64 18013.47 20625.57 17044.24 14412.7 14579.52 xylulose NIST 2066.48 2390.79 2516.41 2032.65 1753.93 2685.34 xylose 4494.32 6613.46 7482.45 1636.06 2638.52 4875.04 valine 157701.92 119961.15 142154.56 295760.78 325656.83 278648.49 uridine-5'-monophosphate 97732.62 77810.06 90785.98 47466.04 85937.3 43056.58 uridine 2071.41 2172 1943.36 955.47 997.45 1383.81 urea 22966.23 17615.66 18539.69 34317.71 24639.36 26648.17 uracil 4647.35 7998.8 9094.94 10339.74 8404.61 8924.36 UDP-N-acetylglucosamine 175650.56 155794.16 185657.01 138905.89 122711.8 152577.45 UDP-glucuronic acid 19050.49 15973.74 18906.44 64120.79 65083.37 83640.94 tyrosine 1444228.58 935062.32 951907.37 1927244.71 1614401.19 1771575.49 tryptophan 445252.26 199644.86 240281.47 431077.08 378642.69 259623.14 tocopherol alpha- 7855.18 9914.22 11243.6 16589.84 13038.03 7722.94 threonine 389957.96 191018.53 255598.17 596929.79 535648.07 659299.11 threitol 4963.3 4120.23 3745.21 4500.43 3373.64 4021.56 taurine 6625.96 6208.69 6983.15 2507.34 7649.15 6460.07 succinic acid 21326.28 20051.21 24337.89 19528.25 16018.18 19485.29 stearic acid 1175689.23 1089761.53 1346158.06 2019068.99 1497280.6 1326184.37 spermine major 64712.43 16205.46 15481.13 25245.84 3988.78 30170.13 spermidine 163093.72 24811.9 33693.94 50988.69 43162.85 16919.9 sorbitol 27566.19 16703.7 7126.66 44862.34 37510.64 13608.08 sophorose 1149.25 883.12 624.87 1127.9 862.22 312.25 serine 76465.58 45922.26 63732.36 108789.4 81033.43 119947 ribulose-5-phosphate 8643.07 8428.43 8562.76 3442.52 3139.78 3732.11 ribose-5-phosphate 20535.43 19715.06 19798.39 13416.1 10871.29 12420.55 ribose 4771.76 6607.49 7496.4 5431.56 4493.1 557.09 ribitol 17570.49 4752.74 19680.79 36397.02 33563.54 34242.25 pyruvic acid 34255.34 34396.94 38730.74 14502.41 10122.95 8040.15 pyrophosphate 1477029.58 1398648.77 1485793.23 494981.82 574097.18 360511.1 pyridoxal-5-phosphate 5963.46 5668.68 6329.39 2076.27 1280.11 1772.38 putrescine 858071.8 383213.55 426330.14 334206.68 266799.13 362087.21 proline 116168 74531.18 96493.49 201761.85 243991.99 313551.91 p-hydroxylphenyllactic acid 7095.93 6192.78 2326.06 7990.63 7754.9 8047.09 phosphoethanolamine 83881.4 79137.72 99587.92 94181.5 74038.06 74406.32 phosphoenolpyruvate 11972.34 8844.13 7784.42 3863.46 2798.15 1299.55 phosphate 1709611.43 1234865.75 1647361.49 1934052.67 1485427.11 1021395.24 phenylalanine 546443.49 460718.3 465986.72 652969.67 651204.87 812130.33 pentadecanoic acid 23365.11 23058.59 13966.31 17655.86 23383.65 14060.1 pelargonic acid 13342.75 9400.06 12299 16918.47 16592.65 12960.79 pantothenic acid 67871.88 55219.88 58647.73 56708.31 50215.16 53530.28 palmitoleic acid 1796.94 3646.85 4320.25 7021.98 5362.44 8759.81 palmitic acid 236248.79 220739.31 279694.88 439590.07 346608.37 368205.29 oxoproline 2989379.83 2352717.07 2660049.31 2320258.28 2316155.74 2544883.92 orotic acid 1696.23 1559.38 1918.45 3454.69 3279.08 2987.67 ornithine 40694.69 44113.25 41497.29 54228.35 57277.64 59670.17 O-phosphoserine 1537.27 1167.55 1106.22 3631.18 1550.57 2441.49 oleic acid 7922.32 7573.15 8020.61 11818.58 7252.61 15000.81 oleamide NIST 6693.1 4046.64 4182.72 7283.66 5552.57 8622.02 octadecylglycerol 19867.01 15318.36 14467.6 15549.17 15585.03 5632.37 octadecanol 5349.34 2415.65 2339.01 3211.26 2589.71 2652.62 nicotinamide 21843.64 24903.4 24299.02 38022.94 33109.04 44655.49 N-carbamoylaspartate 6974.48 3224.18 6150 8364.9 7363.44 4834.4 N-acetylputrescine 2221.49 2340.07 2491.49 2947.55 2851.02 3069.95 N-acetylglutamate 12096.74 13194.1 14242.36 7264.39 2374.16 5664.09 N-acetylaspartic acid 324521.82 248895.73 402947.99 75590.46 77816.37 140437.43 N-methyl-UMP 2457526.08 2205676.54 2184729.46 1615352.56 1526903.14 2257408.22 myristic acid 14702.3 15802.68 18192.87 36354.42 24911.85 42143.62 myo-inositol 898619.38 4601557.11 1761765.82 2338944.67 4208029.08 3248777.06 methionine sulfoxide 7455.31 5694.53 6819.71 12178.66 11479.32 11679.08 methionine 66579.46 40975.59 41329.86 154576.78 153471.09 181662.15 methanolphosphate 44799.01 38937.85 41891.94 46365.53 39571.63 21660.13 mannose-6-phosphate NIST 1396.08 1097.93 1240.76 1169.48 956.78 1249.98 mannose 4687.83 4224.66 4735.83 3179.82 2427.03 3429.78 maltotriose 281.39 424.65 915.87 584.23 442.29 1633.6 maltose 8637.14 6835.23 19096.79 5385.92 1679.7 5618.49 malic acid 202618.43 192447.63 240075.18 149103.63 137865.72 129450.26 maleimide 5281.22 3524.53 3236.95 4499.42 3672.57 5143.67 lyxitol 36298.12 41048.19 32482.08 38869.87 35775.01 15912.77 lysine 396189.97 313759.32 318091.76 436441.69 366259.46 338029.21 linoleic acid 1800.89 1805.03 1505.86 2994.2 2829.67 1506.72 lignoceric acid 2943.22 3684.64 3034.64 5351.43 7689.82 7127.19 levoglucosan 5326.63 7867.53 5201.24 4377.7 4498.19 4752.12 leucine 132577.39 80542.96 74853.39 186299.92 174067.78 140981.64 lactic acid 315025.7 353872.68 383049.94 125202.75 114589.85 89058.2 lactamide 1300.31 1844.81 400.63 725.22 493.13 355.86 isothreonic acid 29670.19 24761.18 30563.63 22003.14 19095.94 18889.54 isoleucine 236203.37 145702.92 195325.99 322430.69 342823.96 282584.8 isohexonic acid 4181.33 1724.47 3722.29 4310.76 3420.41 3997.77 isocitric acid 9564.24 10934.58 10279.9 16324.09 13495.57 13375.14 inositol-4-monophosphate 49649.75 32671.47 50171.67 19504.92 16896.66 22484.86 inosine 5'-monophosphate 12833.29 10015.66 15232.98 3933.44 3927.78 1047.77 inosine 4195.16 4372.84 4421.9 8734.11 8475.79 11735.58 hydroxylamine 192028.35 226681.47 232338.6 219691.58 227516.27 163642.94 hydroxycarbamate NIST 122596.5 116771.78 119799.9 151897 137955.2 90216.99 histidine 27077.47 9869.47 22079.6 204829.09 176604.62 111913.79 hexuronic acid1 13187.74 10580.54 16244.53 10984.83 5343.12 7577.23 hexose-6-phosphate 119106.29 82638.38 92031.72 33979.95 25448.71 47796.8 hexitol 883567.56 870245.46 896001.28 268765.27 228408.99 284952.93 hexadecylglycerol NIST 52434.02 41851.75 46378.62 50105.24 39760.75 22765.39 heptadecanoic acid 17935.8 15482.45 14764.58 29582.98 2377.21 24570.48 guanine 800.72 669.3 798.27 3240.68 2346.7 2276.94 guanidinosuccinate 5616.91 5345.46 5129.48 3764.05 5045.21 3137.35 glycyl tyrosine 8749.7 5531.44 5649.71 2609.79 2397.54 4005.7 glycine 172511.84 112419.82 120162.66 572878.79 309779.98 369501.87 glycerol-alpha-phosphate 277789.62 314309.28 305176.86 186429.75 169922.41 166275.74 glycerol-3-galactoside 17766.96 13170.23 14350.99 6770.43 7267.86 6229.11 glycerol 274143.42 182096.82 141964.21 338445.42 309602.05 254052.24 glyceric acid 1243.05 1288.88 1524.79 1357.13 1797.65 1204.39 glutamine 367724.32 322375.71 204289.38 1640587.25 1420051.92 2018379.59 glucose-6-phosphate 45634.29 23270.42 23350.26 9720 10576.43 22201.36 glucose-1-phosphate 68812.8 65347.92 72842.25 51503.95 35420.16 48239.9 glucose 59127.11 26261.89 29844.09 36312.83 31795.38 36286.24 gluconic acid lactone 2465.36 2033.76 2461.59 1624.9 1302.48 1606.84 gluconic acid 4456.8 2996.44 3651.53 3174.75 2666.98 5570.91 glucoheptulose 7158.13 7271.82 10066.62 9739.28 686.32 7944.99 galactinol 28899.09 14467.06 28099.05 7243.09 6176.87 6693.02 fumaric acid 132389.8 128799.32 148695.23 109750.95 85140.16 90133.72 fucose 1 41711.64 44857.14 46448.39 16614.18 12878.39 16779.14 fructose-6-phosphate 12663.47 8330.97 7908.99 4963.97 4461.58 9572.64 fructose-1-phosphate 12506.48 10256.33 11030.33 6933.73 5859.64 1416.52 fructose-1,6-bisphosphate 3668.91 5416.07 2667.89 1425.09 2009.14 3219.63 fructose 14933.33 8199.69 9495.57 29983.62 22179.8 21121.87 ethanolamine 23062.99 51148.38 34285.92 105119.67 105559.93 230262.87 erythritol 56450.47 50600.41 50297.24 44730.48 38946.31 45239.34 docosahexaenoic acid 7614.27 7222.09 6878.51 11393.59 9000.44 13636.83 dihydrocholesterol 21957.18 23752.75 24241.22 19695.61 14076.15 17463.11 D-erythro-sphingosine 85982.43 73669.94 80149.3 33396.73 41312.34 49697.06 cytidine-5-monophosphate 12029.6 11772.95 13228.83 5916.39 3309.58 9605.36 cysteine-glycine 293993.64 302242.96 230847.69 229344.64 218445.67 109031.19 cysteine 134999.31 101554.86 125777.49 150191.97 132726.97 164903.83 creatinine 125024.33 118324.2 119246.79 116197.82 89573.27 226071.81 citric acid 361796.41 389105 444666.53 843631.07 697485.13 774784.43 cis-gondoic acid 762.22 643.44 846.11 949.38 753.43 1003.16 cholesterol 4021986.5 4871046.05 5882298.78 4031098.75 5099824.84 3528524.86 capric acid 1655.75 1918.4 2301.14 1982.95 1949.15 1836.81 butyrolactam NIST 4589.1 4636.38 4258.46 6666.97 5548.51 6867.48 beta-hydroxymyristic acid 3495.14 4767.66 4985.97 1499.13 1136.75 1786.26 beta-glycerolphosphate 2547.31 3280.87 3433.28 4100.8 1426.53 5673.01 beta-gentiobiose 4650.31 3839.78 3999.34 9269.66 886.62 1093.37 beta-alanine 84559.69 82794.52 83267.65 152618.17 143338.99 216479.34 benzoic acid 24851.04 22470.84 25674.33 28636.64 26452.26 18385.98 behenic acid 12424.53 10986.3 9512.52 15971.11 12910.93 4097.89 aspartic acid 2546973.04 2383682.97 2603405.74 1347056.91 1367539.88 1943462.78 asparagine 12306.05 14448.17 16224.6 29945.08 27577.82 14332.7 arachidonic acid 47342.37 47402.08 46679.6 71305.05 53867.4 81504.76 arachidic acid 20171.11 17952.8 20826.88 11748.6 20497.04 22122.06 aminomalonate 51921.6 34943.92 38441.73 180433.22 86567.7 124861.69 alpha-ketoglutarate 7832.47 3161.53 9706.85 10243.38 6402.59 3643.89 alpha-aminoadipic acid 8527.55 6092.34 11674.13 15521.78 16233.73 15458.77 alanine 96259.53 88536.79 85740.21 425803.75 499600.56 645919.02 adenosine-5-monophosphate 2104499.12 1741403.88 1660790.64 1245347.3 1053599.28 1089351.39 adenosine 5281.22 4329.08 4597.3 18795.93 11168.19 12107.31 adenine 105572.99 115229.3 125785.46 57063.31 45420.08 52913.71 aconitic acid 2351.81 2866.16 2135.71 3386.74 2836.79 3366.34 5-methoxytryptamine 29271.31 4531.96 7328.97 6944.89 5796.6 5022.74 5'-deoxy-5'-methylthioadenosine 26180.97 20051.21 22151.36 19521.15 15585.03 16204.2 5-aminovaleric acid 504058.5 605742.97 600765.47 104001.92 113441.92 154836.55 4-hydroxybutyric acid 17910.13 18380.44 19529.31 21468.6 19462.99 12731.8 4-aminobutyric acid 180643.47 157174.53 180679.01 290034.06 257466.21 420546.06 3-phosphoglycerate 66783.84 26708.42 23979.11 49960.19 39320.49 26931.67 3-hydroxy-3-methylglutaric acid 4936.64 4595.61 5233.13 1688.8 2240.96 2051.92 3-aminoisobutyric acid 2324.17 2356.98 2355.95 3878.67 3245.53 3140.33 2-monopalmitin 9773.56 35887.7 9412.86 15322.98 11978.55 37712.67 2-monoolein 18774.04 31250.33 27104.44 25841.23 34256.98 49613.79 2-hydroxyglutaric acid 3981.89 3207.28 4143.85 5561.39 5110.28 1574.13 2,5-dihydroxypyrazine NIST 23140.99 16140.81 34915.77 14803.66 22204.2 18296.76 1-monostearin 2747.73 2591.68 2773.53 2964.79 3738.66 3965.06 1-monopalmitin 15585.96 10100.19 6427.05 3223.43 4569.36 18249.18 1-monoolein 9902.9 10397.55 10026.76 15722.61 5589.18 15474.63 1-hexadecanol 4702.64 5089.88 6086.22 7719.81 4024.37 6808.01 1,5-anhydroglucitol 5879.54 5597.07 6123.09 4170.79 2736.12 1242.05 1,3,5-trimethylcyanuric acid 22841.83 30461.68 27398.44 31864.13 25872.7 19805.47 1,2-anhydro-myo-inositol NIST 3620.53 3397.23 3229.97 2579.36 2087.43 1970.63 metabolite_name retention index quantified m/z PubChem ID KEGG ID BB id zymosterol 1088064 129 92746 C05437 110304 xylulose NIST 553450 173 439205 C00312 31632 xylose 546699 307 135191 C00181 231 valine 313502 144 6287 C00183 3 uridine-5'-monophosphate 980179 169 6030 110201 uridine 856709 224 6029 C00299 4705 urea 336741 189 1176 C00086 104956 uracil 385816 241 1174 C00106 3023 UDP-N-acetylglucosamine 625003 226 445675 C00043 62293 UDP-glucuronic acid 587601 217 17473 C00167 7831 tyrosine 671252 218 6057 C00082 16 tryptophan 780482 202 6305 C00078 14 tocopherol alpha- 1066526 237 638015 C00376 72408 threonine 408777 218 6288 C00188 171298 threitol 467595 217 169019 C16884 770 taurine 556690 326 1123 C00245 411 succinic acid 370608 247 1110 C00042 161 stearic acid 787622 117 5281 C01530 13 spermine major 952638 116 1103 C00750 113524 spermidine 792924 144 1102 C00315 1714 sorbitol 667922 217 5780 C00794 162 sophorose 962064 307 441432 C08250 132242 serine 395020 218 5951 C00065 25 ribulose-5-phosphate 735908 357 439184 C00199 42027 ribose-5-phosphate 731837 315 439167 C00117 42024 ribose 553078 217 5779 C00121 125857 ribitol 575497 217 827 C00474 7362 pyruvic acid 211668 174 1060 C00022 583 pyrophosphate 327517 110 1023 C00013 88181 pyridoxal-5-phosphate 825754 219 1051 C00018 2550 putrescine 588119 174 1045 C00138 21703 proline 364523 142 145742 C00148 p-hydroxylphenyllactic acid 654036 308 9378 C03672 131590 phosphoethanolamine 603912 299 1015 C00346 1723 phosphoenolpyruvate 518184 211 58114173 C00074 1685 phosphate 345365 314 1004 C00009 4 phenylalanine 537804 218 6140 C00079 33 pentadecanoic acid 674647 117 13849 C16537 1680 pelargonic acid 399229 117 8158 C01601 50 pantothenic acid 690887 291 6613 C12276 31356 palmitoleic acid 704511 311 445638 C08362 31379 palmitic acid 713809 313 985 C00249 11 oxoproline 485935 156 7405 C01879 10 orotic acid 586317 254 967 C00295 18492 ornithine 619196 142 88747248 C00077 171971 O-phosphoserine 624355 356 57689797 C01005 131114 oleic acid 781527 339 445639 C00712 1677 oleamide NIST 849710 144 5283387 C19670 20961 octadecylglycerol 928878 205 3681 C13858 104598 octadecanol 755409 327 8221 997 nicotinamide 471602 179 936 C00153 84542 N-carbamoylaspartate 611345 257 93072 C00438 106743 N-acetylputrescine 595523 174 122356 C02714 87301 N-acetylglutamate 604748 216 70914 C00624 62256 N-acetylaspartic acid 548028 158 65065 C01042 4081 N-methyl-UMP 975846 169 106699 myristic acid 634414 285 11005 C06424 127 myo-inositol 730022 305 892 C00137 1741 methionine sulfoxide 637588 128 158980 C02989 1678 methionine 483560 176 6137 C00073 45 methanolphosphate 289520 241 13130 5393 mannose-6-phosphate NIST 822643 387 65127 C00275 87363 mannose 645856 205 18950 C00159 70 maltotriose 1176044 361 439586 C01835 84521 maltose 946601 204 439186 C00208 1979 malic acid 463180 233 525 C00711 1391 maleimide 245118 154 10935 C07272 1743 lyxitol 573587 217 439255 C00532 233 lysine 663483 156 5962 C00047 12 linoleic acid 777414 150 5280450 C01595 165 lignoceric acid 978597 132 11197 C08320 104210 levoglucosan 569637 204 2724705 3169 leucine 345168 158 6106 C00123 84921 lactic acid 217657 191 612 C01432 80 lactamide 265698 232 94220 415 isothreonic acid 489385 292 151152 C00639 1679 isoleucine 359251 158 6306 C00407 15 isohexonic acid 698302 333 604 100866 isocitric acid 617338 245 5318532 C00451 32122 inositol-4-monophosphate 845976 315 440043 C03546 4759 inosine 5'-monophosphate 1016811 169 8582 C00130 31242 inosine 897434 230 6021 C00294 84524 hydroxylamine 253158 146 787 C00192 4211 hydroxycarbamate NIST 325318 278 16639161 130396 histidine 663790 154 6274 C00135 150 hexuronic acid1 667373 160 152867 4554 hexose-6-phosphate 831123 387 208 C02965 62349 hexitol 704741 217 453 C00392 255 hexadecylglycerol NIST 867593 205 72733 C13859 100721 heptadecanoic acid 751309 117 10465 727 guanine 744307 352 764 C00242 2519 guanidinosuccinate 557299 328 439918 C03139 16942 glycyl tyrosine 922071 174 92829 62472 glycine 368707 248 750 C00037 6 glycerol-alpha-phosphate 590747 357 754 C03189 1687 glycerol-3-galactoside 805227 204 16048618 C05401 1693 glycerol 344466 205 753 C00116 30 glyceric acid 377495 189 439194 C00258 48 glutamine 600315 156 5961 C00064 18 glucose-6-phosphate 818275 387 5958 C00092 308 glucose-1-phosphate 594647 217 65533 C00103 3167 glucose 650867 319 64689 C00221 5 gluconic acid lactone 645815 220 7027 C00198 3502 gluconic acid 693148 333 6857417 C00800 7501 glucoheptulose 828606 217 5459879 C02076 3191 galactinol 1017580 204 11727586 C01235 1975 fumaric acid 390016 245 444972 C00122 14755 fucose 1 578299 160 439650 C02095 3009 fructose-6-phosphate 804279 315 440641 C05345 6431 fructose-1-phosphate 803180 387 439394 C01094 87944 fructose-1,6-bisphosphate 939046 315 10267 C05378 110203 fructose 639442 307 439709 C02336 21 ethanolamine 344719 174 700 C00189 3212 erythritol 471922 217 222285 C00503 92 docosahexaenoic acid 902819 91 445580 C06429 87709 dihydrocholesterol 1082070 215 66066 C12978 42937 D-erythro-sphingosine 859500 204 5280335 C00319 126903 cytidine-5-monophosphate 700635 243 6131 C00055 2246 cysteine-glycine 715335 220 439498 C01419 2787 cysteine 500158 220 5862 C00097 65 creatinine 502599 115 588 C00791 31 citric acid 617342 273 311 C00158 288 cis-gondoic acid 851223 367 5282768 C16526 104393 cholesterol 1078536 129 5997 C00187 19 capric acid 452386 229 2969 C01571 50422 butyrolactam NIST 277199 142 12025 2047 beta-hydroxymyristic acid 703225 233 125981 beta-glycerolphosphate 574470 243 2526 C02979 22021 beta-gentiobiose 973116 204 441422 C08240 100955 beta-alanine 435564 248 239 C00099 148 benzoic acid 339067 179 243 C00180 36 behenic acid 920648 117 8215 C08281 46315 aspartic acid 480387 232 5960 C00049 79 asparagine 553078 188 6267 C00152 146 arachidonic acid 834339 91 444899 C00219 6529 arachidic acid 856421 117 10467 C06425 291 aminomalonate 455754 218 100714 C00872 413 alpha-ketoglutarate 507392 198 51 C00026 294 alpha-aminoadipic acid 573295 260 92136 C00956 125502 alanine 243971 116 5950 C00041 34178 adenosine-5-monophosphate 1038688 169 6083 C00020 1726 adenosine 918039 236 60961 C00212 290 adenine 646534 264 190 C00147 1764 aconitic acid 586815 229 643757 C00417 29 5-methoxytryptamine 864466 174 1833 C05659 284 5'-deoxy-5'-methylthioadenosine 967036 236 439176 C00170 21821 5-aminovaleric acid 540425 174 138 C00431 1676 4-hydroxybutyric acid 325027 233 10413 C00989 85123 4-aminobutyric acid 488730 304 119 C00334 1842 3-phosphoglycerate 610734 227 724 C00597 1667 3-hydroxy-3-methylglutaric acid 521554 247 1662 C03761 32000 3-aminoisobutyric acid 452655 248 64956 C05145 12265 2-monopalmitin 890356 129 123409 2080 2-monoolein 941794 129 5319879 84531 2-hydroxyglutaric acid 506306 247 43 C02630 2000 2,5-dihydroxypyrazine NIST 397526 241 23368901 2254 1-monostearin 959214 203 24699 D01947 648 1-monopalmitin 901749 129 14900 C01885 2070 1-monoolein 952623 129 5283468 7508 1-hexadecanol 679596 299 2682 C00823 16713 1,5-anhydroglucitol 633603 217 64960 C07326 209168 1,3,5-trimethylcyanuric acid 416269 171 125664 1,2-anhydro-myo-inositol NIST 651472 318 119054 16557