Vanylglycol Valine Uridine Diphosphate Gl0.084943556
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Supplementary material Gut Supplementary Table S6. All metabolites analyzed metabolome in PDAC patients Sample Label P value Fold change of SMAD4+/SMAD4- Vanylglycol 0.155424904 3.137179109 Valine 0.004642878 0.589837251 Uridine diphosphate gl0.084943556 0.263274997 Uric acid 0.090790719 1.393871126 Tyrosine 0.003182454 0.514460059 Tryptophan 0.066090634 0.663198946 Thymol 0.146640203 2.916828638 Threonine 0.005124039 0.393216791 Thiosulfate 0.051860669 1.635639445 Succinic acid 0.364992 1.133060182 Suberic acid 0.133965924 1.163132453 Stearic acid 0.005186541 1.652773292 Sorbitol 0.004383992 1.618952122 Serine 0.002722175 0.519593603 Salicyluric acid 0.01643565 0.397706161 Quinic acid 0.034892334 2.174700019 Pyroglutamic acid 0.02033026 0.785242233 Pyridoxamine 0.30175314 0.637267947 Pseudoephedrine 0.127542773 2.835197206 Proline 0.00322716 0.54718818 Phosphoenolpyruvic ac0.20082072 2.509884702 Phenylalanine 0.008564006 0.567069702 Perillic acid 0.139725472 2.556597234 Pentadecanoic acid 0.021040611 1.5166969 Palmitoleic acid 0.179346121 1.186205247 Palmitic acid 0.004373542 1.50182052 Oxidized glutathione 0.240508659 2.271313826 O-Phosphoethanolamin0.049351827 0.629273759 Niacinamide 0.198513534 0.661777552 N-Acetyl-L-aspartic ac0.017293677 0.303552837 N-Acetylaspartylglutam0.071688124 0 Myristic acid 0.002221367 1.470162064 Methionine sulfoxide 0.044238216 0.632447594 Methionine 0.006936405 0.400639788 Maltotetraose 0.215648863 2.353750497 Malonic acid 0.303649525 0.705638171 Malic acid 0.000391647 0.509161372 LysoPC(18:0) 0.365579666 0.829193518 LysoPC(16:1(9Z)) 0.227278337 0.641851413 LysoPC(15:0) 0.204327924 0.688919299 Lysine 0.001970791 0.591957216 Liang C, et al. Gut 2019; 0:1–13. doi: 10.1136/gutjnl-2018-317163 Supplementary material Gut L-Histidine 0.108854619 0.886942965 L-Alpha-aminobutyric0.016983719 0.758368874 L-Acetylcarnitine 0.000824012 0.571840307 Iso-Valeraldehyde 0.093789075 3.237684774 Isoleucine 0.005711759 0.534670669 Isocitric acid 0.02822411 1.84052254 Inosine 0.037149871 0.710298595 Hypoxanthine 0.204652194 0.90869501 Hydrocinnamic acid 0.059559833 1.683631363 Histamine 0.294699277 1.285171925 Heptadecanoic acid 0.251350737 0.654049656 Guanosine monophosp0.012754796 0.392489061 Guanosine 0.472304488 0.990311535 Guaiacol 0.022630072 1.515521436 Glycylproline 0.045743052 0.670804946 Glycolic acid 0.483425265 1.014208082 Glycogen 0.284811176 2.369077276 Glycine 0.032556376 0.637661116 Glycerophosphocholin0.058059341 0.589648205 Glutathione 0.095832999 9.533320819 Glutamine 0.004304399 0.35862069 Glutamic acid 0.003091293 0.511474813 Glucose-1-phosphate 0.010296482 0.23762011 Glucose 6-phosphate 0.02299983 0.46270713 Gamma-Glutamylcyste0.079180553 0.131113761 Gamma-Butyrolactone0.058292869 0.558957302 Galactonic acid 0.320627538 1.104387506 Fumaric acid 0.089039789 0.39488764 Fructose 6-phosphate 0.008480565 0.33590814 Farnesol 0.142308931 2.611295426 Eugenol 0.097127305 2.422680784 Ethyl glucuronide 0.168280532 0.635949435 Erythronic acid 0.462948858 1.033635449 Epsilon-(gamma-Glutam0.077458532 0.351873395 Eicosenoic acid 0.21502013 0.586695361 D-Sedoheptulose 7-phos0.0314877 0.236806023 Dodecanoic acid 0.011326092 1.639334681 D-Maltose 0.293494036 1.077459931 D-Lactic acid 0.059593324 1.411747853 Dimethyl-L-arginine 0.263799905 0.826653736 Dihydroxyacetone phos0.032262539 0.242063767 DHEA sulfate 0.485580502 0.986760149 D-Glucuronic acid 0.494844559 0.997247966 Deoxycytidine 0.330875867 1.293421896 Liang C, et al. Gut 2019; 0:1–13. doi: 10.1136/gutjnl-2018-317163 Supplementary material Gut Dehydroascorbic acid 0.14097235 0.609627417 Cysteine-S-sulfate 0.44948058 0.973574509 Cysteine 0.029475059 0.37414372 Creatinine 0.036644525 0.627647191 Creatine 0.043187208 0.734847342 Citric acid 0.147679591 0.027816353 cis-4-Decenoic acid 0.110340957 3.382175973 Carnosine 0.174407148 0.466797763 Betaine 0.223642135 0.885230885 Aspartic acid 0.018004945 0.557060251 Asparagine 0.011110107 0.41559372 Ascorbic acid 0.443271159 1.070338037 Argininosuccinic acid 0.078236922 0.382951025 Arginine 0.003307611 0.614738031 Aminoadipic acid 0.191714431 2.003673729 Alpha-D-Glucose 1,6-b0.187676579 0.046153356 Alpha-CEHC 0.159569059 2.561077498 Adrenic acid 0.022858628 0.397211101 Adenine nucleotide mon0.01161879 0.383122601 Acetylglycine 0.111617018 3.10938363 5-Aminolevulinic acid 0.012050675 0.203872137 4-Hydroxynonenal 0.243391289 1.279101499 4-Hydroxydebrisoquin0.136378522 2.436970817 4-Hydroxybenzaldehyd0.0489137 1.14393601 4-Heptanone 0.17851337 1.313538248 3-Phosphoglycerate 0.003630041 0.105131414 2-Pyrrolidinone 0.005451898 0.441289802 2-Oxoarginine 0.460072722 1.14205627 2-Ketobutyric acid 0.277431468 1.060493257 2,4-Dihydroxybutanoic0.375329338 0.939999403 Liang C, et al. Gut 2019; 0:1–13. doi: 10.1136/gutjnl-2018-317163 Supplementary material Gut ients with distinct SMAD4 status. 23262 23172 22912 22792 22782 SMAD4- SMAD4- SMAD4- SMAD4- SMAD4- 0 0 0 1.234364313 0 40.08 34.43 33.76 24.58 20.9 31.90402876 7.517624151 0.568479853 0 0 4097.694267 3899.971835 4391.944229 4471.682631 6651.103722 462.06 430.99 470.08 317.59 223.34 582.94 912.26 856.4 574.79 151.46 0 1.592745304 0 0.335224849 0 400.07 504.33 806.59 442.65 169.89 5328.307624 6144.888153 3939.095529 5749.275715 8212.001154 7.23812068 20.73004832 9.234497787 14.80000881 8.603108625 20.38924055 29.06154682 28.46253097 39.37979356 33.94206789 6583.972814 7458.179325 4384.158169 8658.801825 11886.24077 846.1360161 750.955553 696.9618818 1002.464858 1353.426326 95.22 159.98 218.75 131.46 77.19 1953.336499 2408.898414 1803.160129 1076.337065 692.9379314 26.65059289 69.46612963 65.09866287 64.26810111 48.44247083 2911.879082 2948.397898 2416.902367 3125.432113 3384.656074 14.76859387 3.858528512 2.394588666 0.541503008 0 0 1.873022525 0 0.687657464 0 17.37 22.96 22.42 16.56 11.53 0.000123179 0.008744675 0 0.096001729 0 1529.81 1599.97 1836.12 1101.27 867.22 0 17.23825687 0 6.548758346 0 33.69097198 35.93001658 19.26728345 43.77636691 60.14121893 203.7377972 254.1654547 255.4033384 338.8265853 386.0432813 3334.506974 3531.962357 2410.506413 3983.790268 5962.480535 36.14114404 47.48246637 0 0 0 94.37896572 33.10196183 65.54615609 69.0074517 59.35275881 0.138471717 13.01046245 7.676465683 1.547365005 3.850772491 230.691106 101.5275311 71.54478209 69.7317269 106.4997903 0 5.415611778 4.182657424 0 0 86.6757722 87.5369437 69.71807365 103.7960103 141.4849852 13.53683236 25.21279801 26.26630965 17.12291728 2.884881128 70.19 77.12 36.97 25.22 17.35 222.2155748 46.70252162 95.07783013 54.23451927 221.4255201 3.335568003 28.65281054 14.59492388 22.85133197 0 123.99 66.48 90.25 96.03 44.74 333.3688252 242.3501115 1116.58992 1084.210622 390.234317 8.993190881 20.53994582 113.6296164 44.10878257 20.77055767 510.7044023 558.9649835 1937.427707 1798.0304 609.3726357 397.36 468.68 596.69 392.7 263.8 Liang C, et al. Gut 2019; 0:1–13. doi: 10.1136/gutjnl-2018-317163 Supplementary material Gut 1588.483241 1430.60439 1554.86223 1602.335741 1824.308977 1160.288133 1191.79926 981.1030454 1256.993691 1314.216127 1253.411991 548.5141731 534.0416991 800.0348854 1260.990443 0 2.827871086 0 1.168891544 0 1807.1 1697.49 2243.2 1366.4 1067.59 125.1435433 392.2325729 279.3477953 282.5279997 282.9869997 65.65392728 29.23653835 30.07507237 46.79270225 61.4678422 13319.17091 11644.99874 9914.935884 12828.92199 17263.65354 6.599608952 9.214587325 12.39184052 13.66895559 13.40974957 0.882468938 6.564459439 6.130064457 4.528990879 0.225490313 21.89810425 120.8817447 82.6565583 39.45286548 1.499596739 165.7010516 79.1516164 343.3127047 188.0849984 277.1134071 1896.968996 1186.243179 1579.143039 1237.45626 2061.969012 35.46964467 70.89259471 69.78108352 94.52226919 60.88279451 638.0904128 565.6555756 609.3301945 972.1839496 729.46759 10.72131189 30.63558178 16.40244078 25.02854845 13.06235493 62.94135029 7.936549196 1.63645679 16.53966417 0 21.94575453 20.79137143 26.89383364 23.22269897 17.72545169 261.087164 167.9161063 448.7341182 295.4175472 332.7070667 1.184496841 0 0.030495827 0.042280782 1.096384146 526.92 849.07 1137.51 662.06 314.61 1309.2 1784.46 1804.6 1533.22 947.41 182.04 189.49 322.03 165.71 84.53 394.7990898 613.3793996 694.4827329 789.8918564 679.2855644 45.37593818 1.912248945 0 0 0 4.932270835 5.586414272 4.334702478 5.107045341 2.440173079 437.7105885 181.610113 129.2123744 267.8481432 394.5343697 510.3535596 0.019951076 0 3.938157052 331.3992385 692.8501248 474.8567223 640.6034312 533.0062925 372.3750481 0.147150831 46.89310439 0.081589056 12.91230448 0.205154063 5.359601952 58.34686363 4.452038975 54.98430192 9.7355875 101.95477 111.7167461 12.29390765 108.9417219 79.16316783 252.65929 767.6181155 372.3607681 584.64598 351.230553 111.6641609 63.70757612 72.58114679 90.65305865 136.8582118 2.773752673 34.80856615 58.780049 22.80417723 11.20350043 172.954508 194.1741582 250.7549452 210.733497 255.5593741 15.53708785 12.83792212 8.465427355 15.97839778 26.19719626 2958.733966 2289.699322 2163.082792 2713.809546 3472.351056 427.6425755 315.6435827 354.3543649 604.878754 632.0486201 52.03217543 35.59626616 35.30510802 66.16487356 67.70886935 33.44 21.22 32.31 20.58 9.83 32.86198281 1019.695894 966.3565968 1214.182267 231.4249313 135.0795648 47.72950941 77.27745352 67.66284217 45.51095369 15.2392391 4.780369448 1.89712159 1.792867018 0.518255119 Liang C, et al. Gut 2019; 0:1–13. doi: 10.1136/gutjnl-2018-317163 Supplementary material Gut 152.7562809 47.82104404 65.38494874 214.1780254 45.14802269 98.71256614 68.23031228 77.93823863 96.55301921 115.5058089 95.68 109.09 196.01 103.27