metabolite_name control-1 control-2 control-3 control-4 cadmium-1 cadmium-2 cadmium-3 cadmium-4 selenium-1 selenium-2 selenium-3 selenium-4 selenium-5 QC-1 QC-2 QC-3 Serine 528742 15772595 2621084 5204005 8809501 4988973 7698412 7965949 4509053 16585458 5561085 5992763 7688183 7222126 7755986 8467424 1-Methylhistidine 5559376 202516548 102806498 103508032 263252944 316945544 178695024 280649008 321845008 351780632 235634576 316772792 317686504 215361956 254135304 250746564 Glutamic acid 3775173 104055406 36931053 22018534 124153182 132860684 82621598 112373272 115108540 165726612 93302722 69096947 167786700 89160264 100785274 105323504 Choline 51046802 2634924896 960889728 1520629232 2330734784 1853013152 1048746624 1232567896 1893952768 2162427120 1605864912 2864513440 2274464192 1789088480 1880776128 1887180064 Phosphocholine 52010663 659313003 590264011 1705833182 2398800652 1501790268 922733800 2170165620 1378393151 2733384208 874082364 2663058891 2149433865 1509862193 1682912479 1775985058 N-Acetylphenylalanine 840683 24626563 5981731 5758857 29352883 30095463 21903417 22133491 20618631 24442453 28197884 8499562 35328340 19793690 20500566 20654827 3-Methylhistidine 915674 36489133 21184244 35561236 43549618 61807760 34539358 67041872 61310482 52781978 41609810 66107848 58441392 45301300 47202308 45711564 gamma-Aminobutyric acid 6732904 25620679 11321754 17689230 20167529 29881149 29678621 23898727 17351638 27968630 22014489 19468941 37085009 22074229 21550245 24225782 Tyramine 81124 4064284 1692604 3099077 6726405 5632478 6028086 3691143 6781467 6875834 6773369 4576946 9801474 4820113 5372029 5611482 Valine 7780353 258184062 41952827 55895765 140610923 131653057 116399276 121610571 127923057 206958678 117343729 91333395 136812102 124089607 129990324 133530958 N-Acetylglutamic acid 792673 33487100 9962953 19154891 35386024 22978832 24259859 29867410 34623819 40638144 21508104 33671591 43731059 25600094 28974842 30238336 Carnitine 230961 23399652 6563114 31428322 38499562 17309309 12087404 29417697 11082539 44977630 14074445 28581195 38771741 22256313 23954092 23719887 Dimethylarginine 5909222 108960730 218334368 511251520 122355152 126222490 83977937 612338816 138100766 755729152 100996532 820435296 224748264 305744024 327754416 327880296 CDP-choline 8221 2490124 215047 509860 820974 673087 434318 895817 546612 830038 394600 1010513 1083304 769964 768126 895782 Carnosine 76806 488909 538664 1051785 1707114 1317248 577352 2095946 651670 1594613 636040 1401222 1104724 1063553 1087315 1144218 N-Acetyllysine 750399 57667738 9936309 23578699 29942560 51703274 22708996 19970116 28858851 21930102 27484562 31180732 38617067 27528205 31949191 32079424 5-Aminovaleric acid 1103228 181462640 111563308 15992851 58846846 348093536 106342432 34621060 289576752 8939076 190271080 71826766 154353000 130400868 135186928 139777204 Thiamine 38908 991960 956641 429060 2504838 2631858 1955154 1809599 3324484 2442800 2598474 2671198 3656370 2050606 2171082 2195589 GSH 443712 2513813 2678761 2957803 5816101 2584905 1483289 5723024 6552290 4120606 2367503 5260439 5003955 3636234 4115172 4498051 N-Acetylputrescine 5108277 431342416 77809272 259334696 461927744 889571200 368008880 263836112 427681296 275881152 359578160 475683120 371546496 363391392 384113808 385578848 Adenine 14827968 416841044 186624678 277894988 448441360 419827768 309674032 445279504 615844464 456585304 353418196 561487192 802794912 433872200 463918328 463824400 Methionine 3391455 154204008 36379174 31916473 120885736 130559532 107506612 53109626 70844260 123514956 93364148 57364412 118388616 87676684 93012480 95669532 N-Methylglutamate 36648 5861924 1360112 2489792 4497804 6166753 4208349 4677413 5218952 4993934 3808413 4272484 5628141 3966011 4460406 4079036 Kynurenine 331985 1854061 2974681 3311271 2895013 1435869 3943523 29869118 5402855 50195817 7178212 10460752 2540822 9976287 10382526 10599091 Guanine 3652728 99526142 44235419 63559974 73443900 57108636 41119470 76297026 105168774 60097422 27844549 75923162 137574724 73201708 75410842 74041246 S-Adenosylmethionine 441487 9128883 4882326 15792211 4174833 2765103 2916644 4742687 2666731 8729581 3172527 8534542 4134322 6925516 7136513 7378918 Betaine 14035395 698207048 229836138 438855708 559996048 648026148 446050968 605839676 599185900 895577776 437988348 774473428 800850548 538434152 586835380 585149532 NAD 138108 4048584 1310661 3177422 5190279 3236736 2556615 4991874 3052878 2863323 2567012 3021271 3991547 3040810 3613110 3495239 Isoleucine 12340165 675832040 94497860 165794602 355107216 373987460 269908506 329575708 328605684 532908440 260638052 254612790 411186964 331033256 350624604 352811712 Guanosine 319688 6225212 4381079 3339203 9183095 7276600 12613059 1728273 3121260 4414674 4432140 2751491 3956718 5303948 5598515 5964033 Tyrosine 3388688 62092930 32478366 37598528 153248328 196606744 96364020 112479148 108808708 165095916 90156472 95442806 167807900 106308060 113740920 114716144 4-Hydroxyproline 9859152 339429352 213363832 287902240 499968768 532841488 315682248 591461488 681653168 590824320 519047920 719506688 975017856 457008128 524318784 525106384 Ornithine 336001 13661922 2042588 6989217 2170098 2198449 1696682 30525179 1890502 4193948 1457222 1838066 27132099 7611278 6883034 7269187 FAD 401 254826 179189 298578 531979 284295 333458 409569 460155 396876 313414 332169 377653 345017 319502 360070 AMP 7985203 55795455 45059902 76657208 129991591 101290524 67589778 132771374 104750372 110417716 66832974 124461580 124538435 85783467 98783635 104431280 Proline 393232048 7191507524 2991539180 5237837443 9449364494 6897737624 6607732384 8268277436 8575054296 15078910916 10514281898 6990796224 7391484158 7946156120 8275109788 8381113274 N-Acetyltryptophan 18413 4575710 1085689 1736195 7186193 6115523 3407367 5541149 5326438 4926907 4873473 3064543 8468834 4502034 4815943 4650061 Phenylalanine 30239393 1487703568 288529020 358191608 1128397552 1082062928 820388712 815454688 694443624 1309379312 684319120 660911520 1097927600 845808248 891402544 900586816 3-Ureidopropionic acid 1435374 67095184 17540143 67136486 84507712 87167192 38448040 88899940 76265296 105446932 69044280 108267284 107073232 72080200 76030548 76731146 Threonine 1495792 74594102 15123868 20076541 52387600 48853191 41415875 50608604 52866294 67373030 49014903 30517128 48613406 41965204 45930140 48009878 Acetylcarnitine 105419 18819630 6260578 9053719 4841894 3641693 6791303 16182105 1732480 9543815 2111756 2379071 141052220 16739181 17765739 17961577 Glutamine 28376340 436992640 369696368 397101552 909410144 565860752 594384512 779517920 729505408 1011832480 610582784 892982720 679431392 594267888 700350080 715807712 Trigonelline 6272576 249936934 115386431 194368938 424401739 336519357 362066227 346649429 449514246 454169736 392165669 338308685 409883676 303955348 325837560 331527595 Trimethyllysine 11463394 507080680 165609396 422191928 463645144 474809904 119966454 669202224 372064656 996872640 230703524 1118959520 869565040 484116832 502712800 517905288 Pipecolic acid 3264232 313825300 39699107 149995051 136415052 227722118 97665264 129372294 224928299 195089081 206680616 293316580 222960300 174223559 184625076 184821118 Acetylcholine 361652 64227605 4617769 15816621 30824605 14187324 35679290 5096144 22961137 19625731 16342146 31355458 11820632 18736034 21273413 22231963 S-Adenosylhomocysteine 50792 687897 316312 459207 1694417 1040055 685921 1156964 1125893 1256512 1148566 1847433 4001324 1181580 1250237 1355457 Lysine 2329872 68274026 14902909 9951363 40391859 56605104 28598747 51096020 56534236 66563676 37414672 35945769 60663290 43791750 42196275 40790435 4-Guanidinobutyric acid 4997766 364411360 46615754 225042584 279639752 206428688 218052952 295723032 179161568 223942744 202931128 358175792 243550216 219767272 236946856 240983864 Hypoxanthine 16132447 905917792 227610832 385361856 569208192 500134048 582747536 713636832 719377744 808337984 520670992 912036480 716546704 612766528 643997872 644232560 Tryptophan 5235063 164762084 39610931 71744916 138552960 166326488 87033860 137119172 156258424 177272072 98359704 98239028 178988704 124818368 133186448 135546192 beta-Alanine 317761 6812237 3685034 7411909 10236848 7822781 6639827 9036926 6260699 9343166 5702330 8566503 6800910 7046872 7346391 7834735 Arginine 31916449 244715696 307145480 274379124 630655576 431583264 518200256 395509912 322782544 1760287392 343406360 642686872 420758056 561396488 567883032 559843136 Alanine 883011 25363354 4443757 7223348 17830200 13446471 13717046 11543198 15613031 24787940 16147119 10846997 16716743 13543401 14424247 14538851 Citrulline 413093 13047816 1516878 5062675 3445904 9093350 1944638 4531690 5261464 4404350 6419713 3822850 12831227 5852583 6394216 6741532 metabolite_name HMDB ID KEGG ID Serine HMDB00187 C00065 1-Methylhistidine HMDB00001 C01152 Glutamic acid HMDB00148 C00025 Choline HMDB00097 C00114 Phosphocholine HMDB01565 C00588 N-Acetylphenylalanine HMDB0000512 C03519 3-Methylhistidine HMDB00479 C01152 gamma-Aminobutyric acid HMDB00112 C00334 Tyramine HMDB00306 C00483 Valine HMDB00883 C00183 N-Acetylglutamic acid HMDB01138 C00624 Carnitine HMDB0000062 C00318 Dimethylarginine HMDB0001539 C03626 CDP-choline HMDB01413 D03528 Carnosine HMDB00033 C00386 N-Acetyllysine HMDB0000446 C12989 5-Aminovaleric acid HMDB03355 C00431 Thiamine HMDB00235 D08580 GSH HMDB00125 C00051 N-Acetylputrescine HMDB02064 C02714 Adenine HMDB00034 C00147 Methionine HMDB00696 C01733 N-Methylglutamate HMDB0062660 C01046 Kynurenine HMDB0000684 C01718 Guanine HMDB00132 C00242 S-Adenosylmethionine HMDB0001185 C00019 Betaine HMDB00043 C00719 NAD HMDB00902 C00003 Isoleucine HMDB00172 C00407 Guanosine HMDB00133 C00387 Tyrosine HMDB00158 C00082 4-Hydroxyproline HMDB00725 C01157 Ornithine HMDB00214 C00077 FAD HMDB01248 C00016 AMP HMDB00045 C00020 Proline HMDB00162 C00148 N-Acetyltryptophan HMDB0013713 C03137 Phenylalanine HMDB00159 C02057 3-Ureidopropionic acid HMDB00026 C02642 Threonine HMDB00167 C00188 Acetylcarnitine HMDB00201 C02571 Glutamine HMDB00641 C00064 Trigonelline HMDB00875 C01004 Trimethyllysine HMDB01325 C03793 Pipecolic acid HMDB00070 C00408 Acetylcholine HMDB00895 C01996 S-Adenosylhomocysteine HMDB00939 C00021 Lysine HMDB00182 C00047 4-Guanidinobutyric acid HMDB03464 C01035 Hypoxanthine HMDB00157 C00262 Tryptophan HMDB00929 C00806 beta-Alanine HMDB00056 C00099 Arginine HMDB00517 C00062 Alanine HMDB00161 C00041 Citrulline HMDB00904 C00327