metabolite_name Az_E1_1 Az_E1_2 Az_E1_3 Az_E2_1 Az_E2_2 Az_E2_3 Control_E1_1 Control_E1_2 Control_E1_3 Control_E2_1 Control_E2_2 Control_E2_3 CQ_E1_1 CQ_E1_2 CQ_E1_3 CQ_E2_1 CQ_E2_2 CQ_E2_3 DHA_E1_1 DHA_E1_2 DHA_E1_3 DHA_E2_1 DHA_E2_2 DHA_E2_3 GSK71_E1_1 GSK71_E1_2 GSK71_E1_3 GSK71_E2_1 GSK71_E2_2 GSK71_E2_3 GSK5_E1_1 GSK5_E1_2 GSK5_E1_3 GSK5_E2_1 GSK5_E2_2 GSK5_E2_3 GSK66_E1_1 GSK66_E1_2 GSK66_E1_3 GSK66_E2_1 GSK66_E2_2 GSK66_E2_3 4-Amino-4-deoxychorismate 85859 94857 11674 9475 10504 10659 39542 43072 32060 10500 7577 0 39232 42425 35226 31722 10929 12438 34958 13765 62770 27327 13371 0 70881 97916 49156 0 9424 11726 77471 48029 14332 9816 56367 0 26918 37794 23110 10592 22492 13035 IMP 276151 343186 352526 152869 188770 225625 377038 454717 445897 206247 159919 66565 443777 388680 315260 250856 254579 267974 412871 340903 559578 315285 277519 256974 362858 540537 480453 127482 178601 217982 485423 391305 378253 210715 442488 221592 328913 470098 436370 287894 335613 277049 Guanosine 31859 0 0 0 0 0 113389 105110 81964 0 0 0 67755 46528 0 0 0 0 111975 0 68234 0 0 0 60865 101941 103341 0 0 0 47551 0 0 0 41937 0 61855 76243 53275 0 0 0 GMP 137128 153138 136944 13948 14420 17078 205311 188670 172858 31986 16666 0 196236 133215 141437 39311 58250 41887 186791 209350 226104 89821 86242 67531 125473 223972 155990 14764 29192 23700 98764 102555 116488 29972 127957 50115 170233 173338 189387 43718 83557 64260 dGDP 1847666 2538054 1361932 57311 66394 116640 1154268 923070 1370301 131194 38843 24006 1253913 1347708 1671367 237273 372045 246706 807766 1270648 2268359 368191 133922 128860 1171207 1951433 1247622 45059 82099 67805 1260772 644986 787647 87864 343138 71336 716723 520549 1286046 251364 269117 136400 GDP 90338 163517 34225 0 0 0 24245 11278 18673 0 0 0 23811 27990 60172 0 5801 0 14660 30977 38274 5143 0 0 22523 24847 17078 0 0 0 23207 16410 12965 0 0 0 12864 5539 19251 0 0 0 FA dioxo(10:0) 53509 86879 0 110694 55595 156012 55438 0 59823 111420 129685 118793 64058 70429 119444 107019 74157 81017 369789 81524 58795 158666 180457 114942 132017 61662 99815 79097 137600 116372 50559 58171 45640 67397 145237 113917 0 145955 76980 55140 173095 55662 Norophthalmicacid 32816 37979 51906 24467 18641 21182 28661 34894 45649 23145 24953 6775 32087 27167 20854 25038 20560 28951 32856 18956 30627 17700 15318 16884 30769 56557 48473 16563 15890 24591 22148 20086 22774 14212 26716 16782 29334 35627 30287 16936 24256 17098 Glutathione 41892928 17912838 48133596 1718626 2842354 3650237 81301840 51820476 66039372 12594117 5576391 1946943 87319096 61210172 60227128 16049755 7736076 4832994 37529120 44325168 68748832 12392388 7278244 5058156 76698648 87693496 68419840 3035521 4728655 6327913 63588956 48200692 33702580 3604674 13785488 2955721 34076444 38621072 52150348 6500903 8484195 8756107 L-beta-aspartyl-L-leucine 94356 107031 88748 74779 50916 49545 130949 152426 143612 77116 68596 0 139681 95050 148498 90374 57510 117010 140892 0 116722 84762 36167 50020 167883 237370 168089 38239 0 84322 93807 109770 0 109516 112004 0 165783 133523 125121 89390 94719 0 Gammaglutamylornithine 60788 70382 81256 7939 8712 14273 74276 102955 83113 72035 55495 23285 55825 40158 38017 10628 21430 25605 71513 45983 62099 63940 50180 54309 28793 30319 36953 40799 44856 61430 17492 11861 12541 19022 32106 13857 78171 89588 89304 58585 69423 56580 Val-Val 586983 0 818989 0 0 0 308799 301024 571682 0 0 0 0 0 0 0 0 0 0 0 0 267075 0 307672 0 304182 343739 118589 239352 242349 0 0 0 0 0 0 0 272697 103506 269881 543177 273384 Ile-Thr 1378956 1603034 2278671 1409424 1251629 1725287 173324 371116 355010 247356 260838 0 525705 553416 476593 1019957 1075346 1389489 0 0 94579 175128 0 203684 1134098 2075290 2119799 268977 265888 347387 646310 490466 545285 409469 771204 408214 296785 314920 234382 379879 291681 313105 FA hydroxy(10:0) 185736 205871 87798 261691 168703 151597 200529 235082 207297 165990 312145 143620 230444 216951 176957 128077 154748 258718 330649 195494 303139 236148 196584 303681 164395 147817 305576 242369 186663 136748 202935 159256 142844 121290 150068 201971 274858 165478 164409 178717 172014 320336 beta-Citryl-L-glutamic acid 137449 293718 169850 0 0 0 94901 84654 99032 0 0 0 128470 152063 209632 10186 12228 0 91160 138872 129893 0 0 0 106002 134091 126115 0 0 0 148135 99310 92823 0 0 0 79766 57908 97503 0 0 0 N-Acetyl-aspartyl-glutamate 41572 40007 52865 0 6797 6729 48366 47541 46115 15060 10388 0 53336 41308 36080 20005 14060 14731 49472 44857 48415 21536 6564 5748 48516 125616 49692 3996 15616 7270 54166 49039 46115 6890 27376 8502 48991 46786 48316 13993 15178 7439 [FA hydroxy(11:2/11:2)] 2R,9R-dihydroxy-3S,4S,7S,8S-diepoxy-5E,10-undecadien-1-ol 0 54868 0 145276 53978 99006 0 0 0 54503 90302 53321 0 121981 60102 83818 49592 54560 215260 0 50528 45482 157753 128485 47240 83906 52872 90236 100451 45765 67526 53042 94222 66581 94156 57797 0 151968 60933 0 122952 113101 2,7-Anhydro-alpha-N-acetylneuraminic acid 74656 65197 85369 69230 68742 80023 84085 75188 84860 80239 58132 0 84370 63104 55454 62468 63337 68588 90835 43755 71192 85888 74352 53311 75495 163926 91653 45742 64134 80106 97787 73667 71687 77416 166253 48046 91335 79149 75086 67971 75981 73493 L-gamma-glutamyl-L-isoleucine 351865 377089 501602 206072 206112 235147 479916 599444 633073 177041 192344 0 548847 427453 347489 223816 164445 300774 550032 409658 514119 248966 270231 233179 535892 818372 620630 167891 116203 266634 630743 436346 419175 256318 468319 276801 563236 540304 527994 232448 272880 268378 CMP-2-aminoethylphosphonate 264025 258773 373763 85187 110921 110765 436510 533151 475552 128928 109260 42589 458624 379032 312673 120997 140952 143894 445445 292855 464642 152473 125425 114439 451222 604342 603681 94788 104042 143298 339468 253425 225374 115076 206221 111382 422074 517027 418198 153635 172545 123289 CDP-ethanolamine 1491647 1506583 1658612 260626 354173 472238 1721525 1785283 2054773 533905 330093 172308 1827514 1558639 1291806 566178 606308 623444 1760980 1358038 1919802 644336 536898 466829 1774088 2084087 1997313 279150 369137 503383 2651210 1971851 2126222 455948 783887 445352 1564578 1962235 2031027 587048 659147 579324 Met-Cys-Cys 211363 786206 248470 92325 138893 108930 350753 498598 373255 206293 143235 52287 373677 275428 175620 283734 432657 387502 542278 175060 186804 307413 214690 158269 278377 340995 523714 111928 180466 206062 249779 227101 187145 236299 216338 143670 535934 486863 288117 362718 276889 166092 Ile-Val 915103 910740 996504 2260275 1299674 855966 299465 461756 394340 587482 571939 0 485459 259321 365221 389275 639888 875355 342533 0 212336 259644 217452 213523 471618 749263 695949 523767 303164 572762 285230 0 0 1109458 1261040 657713 371227 530623 173771 546903 595519 267490 [FA (11:0)] undecanoic acid 171796 290898 169010 447854 458847 420712 414293 766014 633235 307853 310734 342158 507876 353111 464331 202588 456497 571323 543913 432977 380414 653097 408059 223753 495591 356087 427069 356344 295847 388431 529665 399453 380502 323125 423635 383814 255984 1021722 373741 349181 318768 312851 p-aminobenzoyl glutamate 115634 760160 70955 21415 23417 27982 75842 99065 95004 26861 24473 15382 80040 76227 76264 45816 36886 45290 102551 51556 84335 32062 28824 19893 77161 111395 114374 29407 23391 33379 75544 54331 47783 19384 55352 37803 77221 98635 65893 30522 39627 24835 4-Hexyloxyphenol 113854 153570 358746 663380 392152 470876 333332 541292 933392 297291 303019 206518 652513 309226 296132 123855 347233 302836 605795 430514 464855 324405 675375 395101 363882 395810 578101 186623 297975 266548 368495 918068 815846 532304 588742 523646 481108 1005607 967127 237620 508389 421179 furaneol glucopyranoside 0 0 29542 33127 18658 21082 62800 198899 94657 37591 59092 0 67387 100245 10850 37699 28829 32607 180301 30724 36704 44303 38621 26054 76513 80091 170485 35132 18134 59100 72819 133887 108341 40150 85882 0 123109 213699 66033 53493 43455 18482 ferric dicitrate 0 0 10986 0 0 0 62458 25171 40035 0 0 0 55367 38575 40253 0 0 0 10340 0 90561 0 0 0 52667 84497 39088 0 0 0 117975 68260 33328 0 0 0 0 0 32221 0 0 0 Ile-Lys 171427 138089 108191 147194 92023 116193 39672 59798 35849 0 0 0 94996 63079 52861 162098 155582 185326 0 0 0 0 0 0 211639 250126 208982 18469 0 0 115560 91681 89984 51951 81152 0 0 34460 0 46764 20381 0 sodium dodecyl sulfate 542841 379849 536723 1248964 698826 1028353 533267 802521 616165 497844 699059 794470 523799 760920 524378 663845 872815 643819 914838 623412 543550 241868832 761670 882116 962617 996476 652993 2654379 670828 502073 638813 475284 805604 613480 756541 866359 566851 568340 573683 650883 1370792 895571 Trp-Gly 0 0 0 0 0 0 0 74286 84183 0 0 0 0 25550 0 0 0 0 60417 0 46923 0 0 27634 0 21353 12972 23259 0 34742 0 0 0 0 16627 0 0 60516 67930 0 26977 0 (R)-S-Lactoylglutathione 41281 40591 35567 0 0 0 61143 89903 65813 0 0 0 75393 67066 56288 10267 0 0 58255 47596 81430 0 0 0 62273 153155 79942 0 0 0 58228 40767 38109 0 0 0 54492 80764 70970 0 11178 0 Asp-Cys-Cys-Ser 48736 32325 43598 0 6283 11802 26874 37516 58738 18145 7056 0 55539 67295 87416 27722 29924 30389 25693 70589 104399 13206 18244 5541 79905 186486 91437 6703 0 15726 39173 42017 46488 0 16793 0 30439 59459 109220 6904 0 18755 Gamma-Glutamyltyrosine 67560 68510 84776 34138 49461 73193 22918 15651 15532 9356 0 0 48159 45216 47580 130993 126038 84063 12380 0 0 0 9687 0 115310 138614 149556 0 0 7723 60875 64247 54939 15465 57795 0 0 17560 12041 8785 26818 0 Sinalbin 58193 56500 88387 21340 18282 25686 82635 71786 91766 33742 18159 0 91303 78999 52407 46583 30283 31740 88943 80258 109368 34295 23668 16629 74134 104140 103603 11658 16363 23681 89576 87152 77780 19603 43431 30201 91036 91968 82443 29163 29087 34209 Rishitin 95344 595910 598834 1413770 277139 564711 189687 161631 1193661 306967 516929 200162 920761 393843 315381 129808 239616 365569 505405 398960 745028 353528 1300507 665823 217819 237541 831696 255902 572433 284050 120946 1077369 965748 1089433 421371 376898 417340 420970 909207 328953 665222 162825 Glu-Asp-Val 0 0 0 0 0 0 0 9948 0 0 0 0 0 11744 0 0 0 9862 0 0 0 0 0 0 22394 16570 21614 0 0 6710 0 0 0 0 0 0 0 7043 0 0 0 0 CMP-N-trimethyl-2-aminoethylphosphonate 215244 198854 185313 52343 86245 87231 306321 292885 264913 124452 94778 20377 299688 199914 206453 135497 100784 86428 258983 148893 253048 137229 108889 65026 294512 724366 309117 53850 69457 96767 344365 202458 171728 72050 365969 85105 235561 281954 209524 121016 139341 94492 Zinnimidine 163487 246158 194519 166368 259310 160990 141747 201010 192875 248931 242203 240096 217220 164680 254515 199491 131423 148245 129833 96917 283128 301216 355126 85333 155669 159109 208771 235394 215271 221755 97605 0 147711 200898 149446 90994 319005 205363 112641 260628 311407 113645 Cyclic ADP-ribose 2556908 2209444 2385122 601430 777963 737212 3097033 2650734 2644793 978613 633705 279475 3275141 2310099 2077628 1061628 1004136 963052 2898545 2241994 3012953 1231876 907773 684377 2677697 3568577 2976138 468793 634910 783837 3727786 2908111 2444413 893587 1559363 703808 2943021 2834589 2516537 1114065 1234141 959471 Mukaadial 0 96139 77501 0 0 0 230058 0 0 0 0 0 0 65089 281179 0 0 0 0 0 402582 0 0 0 61149 114967 376340 0 0 0 0 283923 0 0 0 0 289300 280361 124487 0 0 0 Lys-Tyr 49466 65788 49731 40920 29870 26617 0 0 0 0 0 0 28156 30728 32654 72552 66394 50805 0 0 0 0 0 0 79580 144662 79626 0 0 0 50854 34530 32219 0 15248 0 0 0 0 0 0 0 UDP-glucose 771422 724334 739793 55959 101144 149132 656065 565451 635759 195715 74967 49581 758336 615782 631241 330851 299853 231062 648961 629793 829192 304837 148623 100360 659109 2015222 715809 68751 112110 128442 951691 760614 763310 132833 480202 95320 656137 563739 672128 225652 193842 145624 Pro-Thr-Ser-Ser 116228 105201 121313 30325 0 0 58715 56529 51112 0 34620 0 60845 39976 0 21074 34752 23232 24945 0 14460 17266 0 0 85091 113006 101292 17002 0 48429 0 0 0 21105 32257 0 39685 56076 0 31132 37202 0 GDP-mannose 260402 333183 180512 0 13480 14470 147003 111073 163801 23420 5311 0 165661 172549 223089 42001 46680 26613 117932 157295 200136 41471 17064 0 168981 194554 162899 6451 16052 13516 201580 135615 128097 14909 17089 0 110281 87942 152290 21154 19988 12072 Dihydrozeatin-O-glucoside 107303 75113 134147 0 0 0 0 273734 230293 0 174200 0 0 123925 0 0 0 54292 0 0 124622 174341 140824 132241 61730 137931 125020 169703 0 201339 0 0 0 0 104055 0 0 211753 237461 109478 203469 107326 Ala-Leu-Thr-Ala 223443 208639 246213 152623 148810 135178 243336 231971 187999 140017 107901 37158 295886 204964 196604 154212 153133 128144 242975 161858 232809 134639 103314 89926 328437 603164 406629 77315 102022 128884 662341 488774 392288 183818 384266 139035 229035 247328 179907 127209 138025 122189 FA hydroxy(16:0)] hexadecanoic acid 152417 131853 0 282944 0 293190 122078 129488 153656 331087 347408 312318 175322 182684 199302 231862 227037 222410 234661 189155 170801 2070258 289020 329269 174551 212185 318007 304212 352339 237419 186057 173063 237695 197043 211496 166116 142786 276018 119417 106727 236469 317278 Phytuberin 1788019 10983783 10504240 25683272 5103325 11877102 3933557 3994633 22130778 4679651 8985955 3177977 20569136 7107095 4268030 1719257 4072217 6576283 10277901 5016405 12119890 0 25561644 11865691 4144552 4306047 15658562 3684215 12479290 4011764 3330831 24480578 15155893 16535014 6689565 5639580 8882920 6840211 18201398 6086339 12193848 2693903 UDP-N-acetyl-D-galactosamine 684560 712806 898062 102509 160472 211095 794313 983441 933152 194064 108359 53675 824877 827115 726497 333924 288194 298526 787963 616008 1050943 316323 236868 165369 866521 1336654 1131492 90031 130021 153515 1230689 863232 930371 165471 334077 152905 736325 1039747 955654 261562 306818 210724 Asp-Met-Pro-Ser 0 0 34275 0 0 11025 36486 71707 52921 11519 25718 0 41399 68426 32512 31825 11072 19520 44471 0 74122 10238 12275 0 74104 110370 92677 15565 0 21732 76167 55973 24323 0 55545 0 29246 73287 38120 9608 26079 0 Kinobscurinone 48773 34314 49319 8870 10683 14490 83479 99816 101824 36120 20367 0 90968 85399 86871 34407 30144 36334 76901 59563 97154 33564 32284 9772 94072 216934 108910 11153 9364 13859 87414 74004 43841 10141 40623 0 77590 114289 95026 27963 39585 14563 Ala-Asp-Gly-Tyr 140630 100124 85270 17954 7463 7615 44887 57262 49146 25639 29251 0 33268 36513 61949 19328 25438 21794 31043 14495 27597 33222 25520 18830 50124 54575 56219 18879 24321 37755 0 0 0 14322 22664 16503 42456 48367 32165 33436 31340 35766 [FA (18:1)] 9Z-octadecenoic acid 8107676 7430846 11209504 6766426 7371976 6846094 14204794 17497016 15550836 8699310 8206259 6042790 13234483 12717397 12100171 8937199 10799285 8448761 16521229 14722496 13890825 55631464 9298287 8143293 14130372 13803095 16265303 8377283 8596377 9744281 8409622 9766171 9932052 8145893 8516812 9282742 15721748 16940772 15182052 8939003 9280242 10648327 Ala-Ala-Asp-Tyr 0 0 0 0 0 0 75513 142489 128290 0 68890 0 82159 64848 0 0 0 49081 0 0 109973 121391 0 0 141281 181403 127283 37024 0 0 57042 0 0 0 78464 0 0 146888 93227 0 65443 0 FA (19:1) 118956 103191 132604 51126 69190 117297 162709 253706 204203 115766 109395 64606 136762 141948 182059 66089 64178 69779 143438 172391 140542 1211856 54768 67680 142122 176667 201796 113655 120640 140677 65674 0 78259 61653 123986 53623 92586 176493 177549 114400 157582 167039 Cys-Phe-Cys-Gln 0 0 0 0 0 0 39007 100058 52712 0 0 0 39354 46091 0 0 0 0 56593 0 44111 0 0 0 53078 108711 94411 0 0 0 102032 70132 29808 0 32667 0 28915 85647 29777 0 0 0 Glutathione disulfide 656368 783054 583085 25133 47224 64044 788133 858455 924439 129144 109166 93947 804455 656560 887884 111819 144217 179857 542519 536937 721797 111188 105219 67594 571288 1276817 855177 83914 134807 133562 679939 479599 476855 95541 154718 128076 558711 708014 787368 146426 121581 98662 FA (20:4) 274881 0 605916 287975 369676 290370 735202 844505 750577 403682 380863 274481 747739 654568 678183 494289 437098 439290 870407 781410 709617 521536 380230 385339 677379 765939 821155 348513 405973 512940 471654 441343 564532 391260 314680 395691 839957 872825 867572 485257 414953 433353 Icosatrienoic acid 153038 34964 358810 222662 226145 188400 394697 409565 353129 201036 223497 187804 373826 334897 325136 226909 268435 266431 498395 425222 380237 836628 209114 210868 426905 386078 435401 205750 297565 275392 279513 269426 299338 237054 178177 230002 413675 457777 373478 272510 262377 255624 Asp-Leu-Lys-Asp 253146 229110 254512 51284 54296 55642 388647 396727 359535 142792 133777 61582 393103 287805 211297 109988 94969 93896 406908 260162 361115 181760 139387 93899 259715 491805 314053 118095 108181 135685 85128 65397 70769 52120 138479 54756 366827 350124 301630 38343 157700 126182 Deamino-NAD+ 181173 156966 161182 32174 38592 36482 171985 162540 173292 58722 34023 0 219318 135028 148328 109449 76113 58497 179829 168832 208235 101031 64566 46445 189395 267017 180081 21205 34316 38872 268145 205854 140274 52915 135768 49766 168198 143638 185707 66779 62790 47477 NADP+ 545930 636516 328498 6700 21148 19700 253023 167955 238329 33876 11473 0 349839 286167 420867 56147 59321 42927 202763 339073 350068 50622 23420 16462 278794 409239 235866 7036 18851 20284 412276 241026 255711 21053 36386 10637 187721 109961 261654 44860 24460 18221 Ala-Met-Asp-Tyr 1167714 933720 911119 268191 351048 1070757 1216857 4752694 4193671 306668 438257 0 2032927 2438507 952789 873759 344505 1376796 1595759 410476 4435685 349585 397011 430130 2864840 2957462 5736443 756260 149570 820243 6605180 1756388 1517382 0 3086898 437661 804260 4160464 2395073 250143 889710 364226 Glu-Glu-Gln-His 0 0 0 0 0 0 23553 19314 38363 12526 0 0 27690 30997 27304 12124 9402 14652 0 0 0 0 0 0 23795 16009 21957 0 0 0 0 0 0 0 0 0 13837 11585 24033 6499 6454 0 Cys-Leu-Cys-Tyr 0 0 0 0 0 103377 0 450407 473309 0 0 0 323542 287847 0 0 0 189250 0 0 528957 0 0 0 267650 310161 714445 68131 0 0 782300 131283 129659 0 326087 0 0 583509 135909 0 154617 0 Glu-Glu-Lys-Pro 92007 74213 90494 27409 32468 37897 23828 26277 28747 14620 16727 0 22988 25216 0 12835 12616 24179 13015 0 0 12993 9835 14295 30168 39803 27992 12799 17249 28662 24629 23682 25849 24276 36804 25086 26159 24334 33226 25489 27005 24070 Ala-Ile-Ile-Lys 770632 1741975 372122 151118 193761 238179 373416 353615 404237 215488 181772 131257 373296 382298 512465 263894 212067 212505 275206 323639 635790 230098 209597 173036 392556 401414 375080 166857 157626 191701 417284 358230 312328 158302 287461 174919 238273 334796 371033 179494 257616 217888 [FA (22:5)] 7Z,10Z,13Z,16Z,19Z-docosapentaenoic acid 131640 0 308645 209051 272311 230818 332020 432373 349252 269228 280943 196216 374644 330472 355011 290355 316021 290142 483711 369342 458830 490836 308048 291296 398396 365222 417655 240037 299874 376035 221231 276043 258374 170245 313218 230702 349943 452080 350756 289754 279932 304303 Lys-Lys-Val-Val 139584 105813 116594 63785 102154 117806 89954 71294 57942 122381 70939 118021 84975 91822 75339 72605 96145 85217 55795 93958 68320 126527 120652 120361 109655 88736 77328 101175 108444 120076 75981 126769 111350 53993 50831 41830 71416 40190 120580 119549 61346 118758 Lys-Lys-Met-Val 189604 162793 463128 439199 449206 513370 357133 433011 512470 462279 487182 540608 343556 433324 414841 507587 491941 528653 428013 448649 556021 500013 418906 545834 396237 328567 504313 454697 522538 505035 290788 385262 481759 526405 565363 566658 540899 482100 547994 448517 481160 527880 [PG (16:0)] 1-hexadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol) 1049466 1341111 1032750 352820 396163 428962 853696 1356521 1280878 376108 513854 275746 1039142 979897 1100712 389206 504496 613864 1017430 862017 1021397 500970 482142 494060 1120885 1417773 1387247 476332 507213 517188 1331162 1035626 1327545 457870 526450 479703 1018002 1163110 1075272 500480 597747 536828 Ala-Leu-Trp-Ser 2937903 2802948 4118768 909055 1400931 1757625 2077208 3488512 2754148 1828603 2513312 686538 1692941 1809480 1312724 1425559 1348569 1631839 1354859 864104 1289144 2336950 1631274 1720629 1426929 2058339 2207148 1756151 1853205 2956923 0 0 0 552278 1079147 761680 2227743 2588566 1877809 2453374 2873500 2655151 Bile salt 430541 534506 488090 113515 158911 136901 450547 566020 618780 124958 141319 0 482706 463842 447366 163238 151105 244365 533390 412104 653673 158020 125056 136754 527255 506430 652990 117739 149371 174286 465493 392219 455673 137686 159628 213087 424501 527484 514896 145995 156983 176135 [PG (18:1)] 1-(9E-octadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol) 699820 765470 804050 244241 264195 257741 581543 781723 838182 272045 362790 195043 738400 661690 629073 316759 338642 402217 662819 554655 721852 342453 301613 330059 696066 782394 823730 321372 339317 347409 982904 652812 1002511 334465 370531 304406 648931 681609 666872 263980 419055 367818 [PG (18:0)] 1-octadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol) 1016360 932491 1146602 594288 726639 676546 1100415 1338834 1303989 641227 742338 440953 1046997 1021196 1088446 756043 713465 891858 1038153 884072 1340115 877846 781472 780246 1208250 1220505 1313762 662372 799045 819759 1807058 1415366 1611090 802827 999617 737990 943452 1360125 1238927 726521 868279 869898 Ala-Lys-Met-Trp 727261 916721 701304 278443 393834 488603 714693 703786 757059 532913 379759 248256 713331 766659 830081 654993 525210 432469 726928 734793 756895 591729 473224 330174 761388 912481 733582 390171 370934 405223 778942 691585 732277 406607 532824 355501 638773 535697 731113 385510 484716 456566 LysoPE(20:4) 79466 0 387142 0 89094 84773 87063 448146 540596 175995 216372 222803 184799 337818 440739 90093 142156 168941 0 362629 498996 0 271541 220795 270572 426188 426840 59914 197334 303802 203544 245206 501674 191497 0 0 0 423446 537223 0 0 165539 Chenodeoxyglycocholate 169112 172442 95334 0 0 0 96386 0 221572 41453 0 0 104018 179494 129364 0 0 0 0 173030 186501 0 0 0 140181 170377 187591 0 0 53703 93629 169809 146998 0 0 41895 0 173805 221096 0 0 0 PS(O-20:0/0:0) 785379 795662 725521 837468 902417 1045626 623708 757656 991660 735787 957676 847300 701751 705293 1089928 887471 899895 946947 525430 670461 1098213 813736 895385 914090 805936 879727 987836 1003852 860256 1030857 795501 747035 937642 692202 1010900 935413 477771 1038066 901236 909531 1021421 819063 Cholesterolsulfate 359672 40951 874821 561628 537453 515026 802310 750523 827044 577375 503982 300432 817601 777078 833278 501660 699233 650298 886874 832040 854762 1857323 524896 501709 899919 746073 897112 503342 530256 640074 880772 732009 776624 571832 499203 527434 886090 852938 727613 551556 723145 1668219 [PI(18:0)] 1-octadecanoyl-sn-glycero-3-phospho-(1'-myo-inositol) 573764 500616 729885 521947 523129 491548 567630 915268 809005 466060 555854 324877 742226 691334 668758 561123 568297 700536 815741 656758 667102 687767 555244 568464 650473 838822 898098 510320 562205 523800 681363 830576 823046 661446 661560 554927 812558 1121665 750098 524132 670725 524397 [ST (12:0) homo-seco-cholestatrien-tetrol 4440697 2118598 3602415 3991162 3614694 3204854 3302712 1374948 3403204 3105159 3471249 3787022 3802458 3279393 3804833 3611699 3373661 3326175 3721742 3393650 3264754 2295916 3447344 3513895 2842979 1921527 1415335 3018922 3559587 2578526 3674975 2445125 3148000 3480791 3833427 4087052 8598637 7957060 7157874 3662333 3972200 4097911 Oxalate 128872 235194 197169 103202 181867 141503 109302 214572 148721 152541 148115 128880 76728 189587 192986 168217 185623 139546 139934 202658 165529 121026 183282 129275 159569 204021 197660 162210 158631 166844 160870 209048 154387 130250 195391 124193 116992 199233 158053 166085 167558 157024 2-phosphono-3-sulfoproprionate 32704 248851 24362 0 4898 11477 26734 50860 29036 4643 0 0 22356 83804 60539 20780 25559 21331 32061 54129 99985 10229 6896 0 45555 158147 55111 10596 0 4319 64784 46769 13078 0 32109 0 19171 42352 31999 4923 12412 0 Ethanolamine phosphate 1857464 2007038 2264798 262803 254262 334739 3760291 4953625 5438887 559142 566380 204599 4035643 3695216 2998189 465377 498789 711993 3514851 2821874 4450623 572410 532539 587149 4032838 6293909 5550652 358132 468406 721431 3295747 2442862 2711397 401110 891170 404450 3644855 5129086 4396536 623776 766819 678889 [SP (16:0)] N-(hexadecanoyl)-sphing-4-enine 0 0 252693 412906 474367 365135 414025 477323 413124 547648 479706 314516 422969 299646 186753 498476 583409 618935 455189 375651 202985 459942 478264 431862 369346 361988 764208 568453 555485 617973 379481 696758 534768 1008518 765943 764054 817818 666099 366571 568965 522951 596686 PA(32:0) 0 0 0 320284 330966 230669 0 296901 0 154441 281704 154978 66937 0 0 103669 227854 230827 348118 0 0 234529 245800 263398 0 0 246495 220215 206026 280260 0 0 0 310967 321139 261164 300801 488267 0 300274 276800 190145 PE(31:4) 0 0 0 406936 433862 215161 0 306722 67320 400473 358205 281342 0 93714 0 425177 204742 226867 191274 0 0 301145 330568 239590 0 0 140692 461883 525694 327227 0 0 0 359258 290474 376127 255020 399367 0 303978 402112 363562 DG(34:3) 0 0 234559 152115 132691 114163 301567 265863 197547 130659 168514 0 298872 226429 203724 146416 151673 153328 276765 248447 201992 0 59436 127865 275218 300647 285781 161447 152787 186595 266907 377765 283412 142927 170713 136104 451866 303219 265619 145107 152263 168454 PA(34:2) 91965 0 642399 418470 411391 450050 535542 770629 649583 355074 366928 275361 613705 553353 306694 368230 397521 499766 586841 480093 507505 383292 432807 396904 551780 552401 986541 330334 400204 442235 723641 845992 735628 404346 526811 387456 654188 767971 658423 419057 426555 434709 DG(34:1) 0 0 0 415079 421224 283644 0 0 0 220079 233610 393525 0 82883 0 156398 250935 260332 169994 0 0 196729 248272 306734 0 0 0 235314 274160 255351 0 0 0 268199 242886 201471 0 0 0 332721 375713 219983 PA(34:1) 101001 0 1603162 1361120 1639307 1638916 1424811 2151409 1761091 1143245 1332051 886410 1598732 1294696 425132 1213067 1288009 1716161 1916761 1120875 870124 1784260 1391690 1424929 1164192 1245170 2484566 1291586 1510418 1530658 1202781 1902454 1941591 1584955 1767690 1718083 2270145 2706796 1641652 1692017 1539172 1444600 PE(32:1) 250676 100320 626993 401437 405350 413054 449539 679408 655804 322589 398422 329583 602727 512662 468411 349970 328622 443373 565317 560550 450693 356337 286663 454021 616128 621468 678808 296904 305007 401201 576921 621535 664519 426213 446533 350314 627577 646652 616096 345293 488182 434430 PG(32:1) 370013 56020 889951 279575 255342 253931 709983 805429 709376 174418 200121 98639 809059 597253 813172 179802 197259 197541 767637 709898 830197 778472 183284 229991 830179 949506 849502 195195 181515 230488 2846268 2859884 2835368 241445 282519 234918 738159 834812 777458 192915 217154 195294 DG(36:3) 113005 0 720144 432124 469885 379255 787161 804495 660453 482828 422046 303051 889833 610153 498939 553636 478164 465691 967606 762458 620666 563455 405505 385448 785436 671977 867381 422023 482483 509341 511726 685402 544125 463523 420922 348924 1213994 954418 715410 498228 462637 397895 PE(34:3) 544053 187811 961959 470046 491162 396931 962735 1244926 894212 563930 579989 453957 1051329 889835 841442 607205 625539 636119 812246 554726 906287 768448 620796 657766 909752 919419 950079 688657 566396 622081 1209197 996003 1070222 469700 499958 450960 839990 1029426 958073 642971 643386 640665 PG(33:1) 226944 0 535281 228895 179342 223847 437746 569267 507661 174465 206341 65213 560850 537858 501572 155882 162515 198818 562427 575870 610053 190112 176559 175413 522870 677497 690333 172245 176059 219056 1320746 1511521 1756063 210810 221845 195757 564856 619469 598648 218800 228154 199491 PE(34:1) 594959 223814 3632133 4604768 4872426 4820856 3994597 5575773 4675323 3846268 4477289 3898826 4349407 3972280 1801090 4101604 3962607 4937780 4857237 3134568 2384930 4429987 5187265 4641240 3143860 2941511 5691689 4663015 4428830 4867325 2868979 4170026 3909540 4667180 4676326 4347227 5710111 6328760 4255809 4593840 4791158 4632853 Hydroxypyruvate 107037 124722 110905 109880 119652 129220 102827 127097 129695 122611 113441 121719 131920 123021 130100 95066 102897 139610 132794 123922 132748 108307 123894 137109 110066 153261 115547 111872 122669 118349 114401 124598 135924 130331 139257 137374 101951 130578 123606 102641 131887 125943 Phosphoenolpyruvate 60590 227574 35674 4996 12223 14495 49082 62281 56515 16624 5694 4483 58833 97755 92989 57098 64794 47588 64871 109065 131481 31109 19220 11205 63832 118643 69510 13960 10634 11534 82505 69274 39361 6735 25172 4853 40015 54161 60700 17897 25522 12141 (S)-Lactate 1438991 1433911 1117516 1314027 1191987 1364052 1425776 1338442 1675827 1902478 1039524 883065 2035868 1346337 1375178 2285099 1891339 2283393 2023652 1294579 1588650 1482163 1269699 928680 1829401 1676035 1489372 1436669 1109018 1908559 1204098 1464847 1218446 1076609 1412145 1945108 1099623 1182872 1440300 1095000 1676226 1671292 L-Serine 718854 849597 886858 627501 643915 631023 832511 1290771 1287240 428215 557680 217714 1094445 1196409 912075 809669 760122 1081691 797459 480268 1042173 652699 484212 560239 1696925 1330027 1926758 494382 455667 752771 1207784 865961 1052358 424127 627784 514352 725334 1224359 1176967 507952 706466 614189 Glycerone phosphate 45805 127724 39711 37653 67322 42506 26787 48657 62077 30769 17227 19014 75302 60951 49780 45014 40302 144221 32993 25914 74018 17975 17455 21072 50319 125471 82256 100999 26732 47317 80834 73833 60115 19569 43192 31664 34352 76716 52421 21871 25407 30538 2-Phospho-D-glycerate 175241 564944 69998 5069 13084 19620 77866 57134 71033 18125 4063 3808 93135 106968 125490 56161 33236 47538 76279 125271 183576 29373 14873 6587 103006 423269 81220 13710 13104 7406 133465 88522 62144 5541 52900 12493 61167 62546 78295 17654 21023 18471 O-Phospho-L-serine 89512 81065 95454 0 7362 6221 92963 116671 109742 8214 0 0 113427 96257 91710 10604 10618 7894 95166 97511 124157 7649 6779 7371 108494 227059 104927 0 0 0 89416 81084 85002 0 28588 8527 110117 103893 96163 7337 20020 7369 sn-Glycerol 3-phosphate 523760 483825 586118 499588 657637 580791 681580 929292 762260 460941 406587 223765 837872 785222 624385 449205 439399 615401 1102982 648253 1065808 449525 373327 322359 851247 1061520 977410 488177 344567 618729 926745 744072 586006 423821 718976 402534 733332 904860 724935 420522 493523 430005 PG(34:2) 3835447 310643 7779326 2125578 2305926 2438471 6829443 8864166 8060777 1792830 2111416 1114041 7848836 7166396 8795288 1954392 2129639 2226448 7681952 7083122 8609253 2557152 2043571 2106883 8604952 9315153 9491891 2105962 1985252 2297006 14674156 14620799 14069922 2203742 2536154 2261728 7330732 8892773 9001850 2092984 2241523 1971256 PG(34:1) 5854135 337708 20292096 9175978 9812689 9468615 17143572 21943016 20576912 7083138 7912221 4255763 19473498 18248988 18763874 7562886 7757978 8447279 19767550 17887610 21184986 7699880 7676672 8070932 21018836 23098088 23812760 7916922 7613842 8574470 42763692 49395380 43189736 8502200 10225560 8877768 19714984 24590438 22652100 8221228 8629470 7763646 PE(36:5) 825288 180606 1083083 1042918 1076557 913947 941890 1185555 1168500 861699 951008 759724 1072831 1090387 1177044 925691 1011265 976283 1217758 1062333 1186199 944486 1033420 886311 1097515 1121881 1180794 937150 973983 1098567 1304102 1101316 1068042 967654 1004880 890338 1020978 1196054 1203801 906999 950849 1014850 PE(36:4) 1240199 213704 2190391 1796725 1910732 1859068 2003671 2611746 1962757 1624866 2003028 1505900 2108660 2297011 2131687 1771181 1750861 1854345 2272059 2133965 2234364 1825374 2005830 1675549 2134289 2109191 2390776 1962846 1749724 1929369 2374743 2259317 2281137 1829371 2073522 1806001 2203094 2318106 2279516 1989734 1878388 1812956 PE(36:3) 34703 0 1433315 1166454 1336760 1177117 1400905 1761005 1417361 1060704 1232326 1101263 1674079 1523094 1226697 1107947 1220426 1281034 1505506 1395247 1453760 1170624 1286226 1262456 1395491 1450066 1543182 1151992 1090189 1283641 1415312 1469354 1358675 1341965 1247312 1171308 1411220 1621500 1505834 1145312 1176993 1273179 PE(36:2) 396165 86311 1492580 1111952 1241999 1198040 826196 1852644 1624535 1058991 1321358 1025891 1759756 1591634 1093158 1137798 1104339 1393814 982092 1091456 1286754 1034611 1156368 1385197 1357451 1323281 1882853 1188641 1104280 1230544 1357574 1519146 1431283 1227497 1220142 1188996 1614097 1929419 1697539 1129209 1266252 1332933 PE(36:1) 84758 0 772297 1088458 948184 984755 663726 1176963 844838 646755 1016799 868075 720383 788223 198207 758871 797626 1090743 957301 560717 433030 1080458 986536 1005308 631296 521653 1032259 963110 902876 991844 464680 663682 658588 926400 1072011 897153 1280037 1446300 632208 918440 1095334 965380 PS(36:2) 2096343 135650 13244437 8983173 9196893 9416009 11268525 16017550 13994134 8211312 8583023 5668917 13402150 13365639 9481054 8677678 8751391 9428255 14018383 11233752 12071241 9581505 8847869 9820813 12468614 12467633 16134289 9309336 8674716 9778816 11855448 13432854 13888061 9466819 10284162 8514122 14701200 18486618 14000025 9379884 9663893 8891555 PG(36:2) 5416815 289614 16001217 6910224 7275048 7427230 13524405 17050676 15749693 5610834 6533860 3420055 15692399 13985685 15528841 6125819 6489601 6839898 14104906 13903494 16873238 5923786 6178222 6655463 16472645 18258664 18052974 6495124 6383075 7026897 32215112 32800440 28616366 7237751 8476565 6830940 15475942 17924144 16778478 6606984 6849128 6106301 PG(36:1) 1274201 59321 7352940 6218720 6208065 6169830 6883661 8928609 7632540 4072792 5000032 2713549 7568081 6865057 5414462 4600110 4739274 4964006 8155393 7144887 7063064 4651032 4902719 4957675 7308518 7873172 9202745 4992261 4477348 5119009 15810082 18865156 17128868 5374835 6488336 5399301 8280311 10235814 8215469 5068521 5332865 4718440 PS(O-36:1) 9347996 2328225 10619822 6296254 6295713 7263203 9608715 11187053 11384199 6681098 6886667 5706010 10270738 11376828 12192914 7213665 6815993 7672262 10476592 9357493 12016997 7095028 7471901 7470201 11414892 13039025 12077948 7801768 7076660 8384188 9962233 10283130 10450965 6983051 7898492 6974379 9663376 11870767 11292088 7034323 7452472 7085550 PE(38:6) 346075 0 685578 615205 682708 585433 855149 763429 499325 495431 577763 475044 374720 338875 520826 562131 538541 677769 620353 725454 768495 878351 729554 547827 765725 704052 793732 566546 628052 630019 704113 702089 733664 507524 666128 478256 643233 854823 723773 573128 669871 623092 PE(38:5) 765484 117944 1578475 1599887 1539057 1687772 1516065 1648024 1579151 1288950 1617363 1311216 1392106 1511370 1396015 1464829 1636085 1674136 1409937 1435742 1680471 1588009 1594924 1560081 1424579 1466922 1572334 1735502 1637834 1737545 1651458 1540726 1502643 1535916 1674949 1597131 1446011 1668079 1551292 1704354 1600441 1660859 PE(O-38:5) 149644 69594 442680 769341 938470 576112 421368 587248 567744 602069 657398 587882 624282 584418 310557 739585 639997 658824 576679 542752 552600 557420 632446 676163 393865 423022 327744 670223 630059 767927 582424 548464 541326 612334 702211 724053 562889 625381 666648 614494 784598 648076 PI(34:1) 390198 42354 3135437 2783348 3010413 2946247 3448122 4670650 4226210 2547654 2851635 1823876 3629806 3471210 1741097 2803653 2833508 3056362 4537892 2902025 2297680 3240932 2856297 3019398 3205616 3087865 4649394 2846752 2989186 3127826 2922284 3694066 4149073 2971535 3324992 2687635 4668690 5930394 3873585 3326031 3272035 2840371 PS(38:7) 127122 0 269256 59672 73133 0 240364 0 0 174060 130190 55888 320860 92478 236524 155494 199099 0 297908 372945 0 163903 149034 0 187286 0 0 114038 162433 138181 0 234502 121887 152859 0 160610 327955 0 182346 182539 67001 137143 PS(38:6) 490462 31811 1394744 695059 715450 650070 1207777 1403713 1113522 780325 717985 563879 1532852 1234928 1203787 754526 925580 731947 1496064 1596779 1181153 956291 809023 658335 1565700 1101103 1426891 679733 860618 760785 1326142 1357336 1155585 818413 695526 817420 1485644 1361291 1211515 936529 851028 784435 PG(38:5) 1489964 88780 3329960 1632960 1812777 1618860 3172646 3475736 2961599 1473434 1552277 991084 3572539 3043233 3311792 1538623 1616634 1472562 3324530 3116726 3443237 1450721 1420576 1519843 3465087 3419095 3467523 1453481 1507532 1648745 5567379 6306428 5249447 1701435 1815587 1747732 3710927 3426780 3537640 1702036 1738315 1523113 PS(38:4) 1606217 114763 11696702 12453422 13490920 12554679 11443681 14389867 13475512 11869760 11949749 8107313 12472671 12056050 7931577 12729390 13009302 13429344 13267550 10723520 10167623 14202910 12939145 13025719 11284591 11097535 14557959 12368500 12379960 13583530 10786789 12503228 12485969 14596769 13459982 11971644 14967070 17725940 12661788 13972202 13751634 12968871 PG(38:4) 761591 38072 2476877 1309245 1349712 1278949 2225241 2439550 2221872 1184236 1191606 668469 2523935 2234923 2397642 1232011 1202929 1250009 2451203 2368305 2335894 1358869 1204386 1138956 2400256 2437368 2671741 1178110 1090481 1330168 3674920 4328236 3882207 1243256 1380314 1313686 2536692 2808917 2594062 1231273 1142190 1334316 PI(36:4) 301300 0 846864 393218 519669 278928 801593 584114 414348 588958 450840 318733 865091 510606 581177 488236 591852 327035 928730 1150084 507995 615149 480139 325021 747726 351564 527897 319861 528767 475865 503541 1113095 709804 560099 232060 533469 1128174 611975 628422 559093 384637 420162 PI(36:3) 188730 0 898033 540412 641493 385115 883883 969681 909102 613434 612871 415919 995222 813147 748003 519551 666013 462269 1087632 928664 742769 901038 559982 452779 971472 746550 1254987 543040 538724 544929 800706 1152006 1084845 693206 445793 613331 1062139 1339461 999881 579446 471735 552083 PA(P-42:4) 1466837 438788 1195203 1439072 1512794 1543767 963436 1245741 1342256 1413878 1591833 1329804 1138707 1274110 1488890 1516670 1381831 1601057 709757 1200037 1449562 1470938 1464359 1618454 1124928 1498504 1334274 1471852 1461775 1516393 1400767 1156552 1139171 1500566 1771063 1516832 914989 1339385 1310922 1465788 1614384 1427412 PI(36:2) 224031 29122 2247251 1377030 1751832 1735833 2458091 3301535 2791053 1382178 1442871 967111 2727727 2593864 1218413 1393589 1654380 1654915 2891006 2104479 1864682 1525030 1658102 1663263 2121930 2077585 3392506 1600647 1441920 1715082 2020101 2717514 2693669 1525781 1566109 1423473 3024375 4302440 2638734 1744995 1648376 1602425 PI(36:1) 79682 0 1985436 4045594 4497964 4134461 2724853 5225995 3539843 3093959 3656595 2502848 2688234 3146062 461111 2945352 3152265 4079659 4206620 1391821 900612 3926472 3781743 4481751 1965978 1922046 5388527 4021221 3755085 3959510 1381208 2411496 2646229 3681740 4065904 3495952 4561062 6557799 2497373 3995275 4009387 3483377 PS(40:7) 525266 19226 1904822 1155848 1429623 690045 1917119 1212214 983535 1786862 1117302 1051207 2006196 1201355 1292095 1420176 1711310 891324 2139220 2233600 1060963 1557872 1282200 874025 1616730 905403 1144167 911352 1378575 1247125 1116889 1881742 1358530 1890949 542180 1450036 2452810 1216656 1415998 1385479 1010364 1320588 PS(40:6) 556255 46336 4320990 3598435 3823477 3599262 3835000 5001527 4937539 3408037 3575320 2352224 4509243 4230535 2662981 3602615 3872981 4099365 4672464 3984444 3356604 4133896 4055261 3806905 4044982 3782604 5385061 3675691 3694574 3869591 3443657 4191311 4563670 4428766 3881002 3407459 5155880 6145117 4447696 4101688 3928646 3705286 PS(40:5) 393991 33615 3151713 4492053 4861346 4557881 3682213 4505818 4336826 3944511 4197749 2706687 3521661 3725520 1884953 4112088 4615267 4737787 4234497 2869998 2532207 4856727 4556404 4855878 3237580 3126021 4981372 4436829 4233483 4542688 3113472 3627173 3903532 4480148 4806666 4016126 4743366 5890983 3818865 4853454 4873759 4447580 PG(40:5) 176890 0 725340 593525 592620 600556 695971 625557 619574 503034 499413 281214 591518 597172 658802 483746 510693 498282 667605 739643 733743 451656 575027 457586 692580 736494 731483 489339 429553 551587 1043936 1352737 1408489 544341 595370 539401 680278 833436 721325 571844 521906 432959 PI(38:5) 125513 0 781439 380447 447935 447444 872978 749430 663353 510632 450004 315896 793068 667646 500281 431981 550350 417120 900989 769803 563359 644147 476427 438608 687048 533903 886828 386782 480317 526819 545599 843989 756091 549574 362155 456847 911257 841241 825675 482734 487542 478622 PI(38:4) 111226 0 1308525 1030446 1143766 1034584 1437486 1629430 1427106 1186062 957374 773209 1528259 1339629 778522 1015026 1129439 1256773 1805653 1157324 883889 1235596 1055276 985589 1213637 1099161 1589625 1072041 1102752 1137302 964772 1308757 1262249 1295993 1153849 1165038 1925509 1979148 1385401 1245820 1121082 1090305 PG(41:2) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 SM(d18:0/24:1(15Z)(OH)) 0 0 260308 342699 358523 392836 272764 330695 286410 304660 346678 306256 240832 297161 233200 329436 335693 390032 265834 265928 300789 332410 347407 356663 269480 314604 298106 400771 335208 339633 270835 296470 273532 341970 411981 370793 331397 323375 274655 345959 390605 382875 PI(40:5) 0 0 409514 434012 647961 537336 443552 654524 514811 371232 448527 349348 502240 412999 194925 439680 482264 477602 543399 331032 267579 548674 522639 479226 322339 350437 488620 514915 509216 522013 313803 411892 380363 569151 515873 411120 563154 608394 478094 507385 539976 473805 demethyl-phosphinothricin 111071 0 0 152020 19337 88206 338753 16639 143174 42550 56544 20421 265381 13818 0 106917 34895 89115 110589 0 141502 192250 10975 51802 184630 56105 0 87896 0 0 176375 15935 87241 109739 80464 47048 229019 0 66623 76872 35673 57724 fosmidomycin 320147 524552 31639 0 0 0 84832 23589 59684 0 0 0 97104 25666 218720 0 0 0 0 33574 157014 0 0 0 79823 96217 41824 0 0 0 160122 29743 10063 0 0 0 0 0 26244 0 0 0 Fumarate 158710 235531 219634 74118 70202 90685 645456 763951 817857 158705 133397 56213 604374 598037 469704 131637 122288 136362 731611 566991 1022284 177022 161351 148042 531560 627271 643576 88269 102334 143676 301775 221642 200906 137419 290323 150004 558904 672120 613765 140416 188049 167587 Succinate 171781 188531 195261 115536 93333 93384 531268 567902 519235 166751 149546 78415 428779 357034 332934 135770 140879 141612 762596 540005 634281 194725 213018 176511 423842 503377 519664 107178 154207 183259 235433 234325 222749 171588 263114 197905 437349 440976 491836 160190 216798 212502 (S)-Malate 3056993 4082651 3697779 1002911 823438 1495761 12248257 14574040 15669856 2478255 1913919 586301 10963946 11203524 8616375 1802207 2088823 2369070 14020917 10805959 17970476 2921505 2504462 2362601 9986573 13000769 12223996 1228198 1753646 2430951 5413764 4075382 3337724 2098974 5340458 2387484 10499954 12595495 11219741 2292199 3092113 2907669 (R,R)-Tartaric acid 342501 537169 467217 317954 437926 402900 294696 461638 398352 460421 386245 385490 313202 485489 489581 386031 411806 373289 357460 438924 422882 336763 415778 398206 385926 498243 478636 372025 429215 427532 396505 472885 396840 376609 494438 371015 328804 455669 439392 376108 427383 398464 L-Aspartate 7043644 7772819 9326768 4638630 4989702 4846877 8741605 13549591 11041455 3679992 4122999 1061367 10771279 10034860 7680661 5446201 4942937 5831475 8401204 3974007 8999112 4289590 3811686 3149830 13308416 17249690 17325160 2785465 3189891 5199289 13060211 10215465 7968182 3939236 7964565 3048403 7529920 12474146 8928356 4670496 5508517 3874665 L-Asparagine 2978173 2912604 3524385 2239398 2336274 1983665 2671864 3361522 2995383 1680862 1481814 749579 3888527 3199478 2900476 3399881 3393745 3341344 2925261 1867420 2631202 1397841 1451826 1210696 5249298 6188807 6541731 1211810 1445390 2123102 4242960 4110584 3859907 1939733 2540275 2087746 2525709 3119009 2859793 1548677 1799563 1602450 D-Erythrose 51566 44819 25390 40367 52501 75503 36638 24101 21608 65239 51985 55349 40701 64763 53877 145890 101216 71473 45611 74949 82543 47525 56476 49900 45470 43311 34677 69963 60649 63301 44839 80703 57208 26195 82054 125089 37977 75804 72964 21328 80669 49143 [FA trihydroxy(4:0)] 2,3,4-trihydroxy-butanoic acid 84284 88132 123233 103037 62095 63394 387265 465739 370981 122481 96133 0 290895 254635 172377 72344 89605 90206 593466 370905 517516 132139 115534 94173 332007 846728 392522 72400 74248 93876 229925 151383 124942 156332 553995 78685 326760 329595 248197 107772 115082 95393 L-Threonine 1555470 1056922 1404988 562010 513238 323595 2226389 976282 2004168 423437 613598 258466 2649457 1278033 2118051 293615 492457 645110 570505 875052 2327098 454567 445496 520912 2952093 4490308 2152754 430985 532475 736942 2596467 1154681 782409 574417 371720 405958 420181 508419 976400 618898 496231 406653 Gly-Ser 102753 94782 66066 35340 37294 32223 111161 116330 109894 69854 61584 25631 115546 86452 73194 61534 61544 63858 83363 56776 61948 53800 44505 43454 79613 90137 95628 34705 44596 66310 41562 29081 35552 27783 29189 25686 124725 124852 88813 58526 57034 52863 2-Deoxy-D-ribose 5-phosphate 275888 258680 141340 22376 41106 67387 305660 406975 251804 58818 29040 0 354222 292484 196454 71022 59771 47078 353006 113798 363655 74566 54023 25291 387489 693325 412110 50538 27895 38762 646946 416809 190969 32805 257600 23598 236059 363978 180927 42805 63019 29611 D-Ribose 5-phosphate 104686 120340 114547 63510 84330 101131 121128 164981 194436 90422 54658 41533 149739 152898 114195 83908 93143 156885 162041 151049 218489 88095 59103 66785 150469 362406 191363 69850 54361 98419 177662 123021 121232 78115 194751 63125 118506 182998 155221 94817 102830 86369 2-C-Methyl-D-erythritol 4-phosphate 12894580 12837767 2877116 405698 587651 7506721 6488452 4328416 2619204 6650406 742069 448024 12906150 18843960 7555484 26775164 10350536 3610228 12304583 14670896 18049786 5665839 4786933 664650 11210123 11857847 8593119 1465208 1040336 1528658 6638853 22858190 9580997 208085 16835294 3330263 6479573 18179544 18520754 360669 7072507 3664113 sn-glycero-3-Phosphoethanolamine 117539 87872 133308 41381 58787 46208 86196 137261 131250 32386 38003 17086 97766 65897 60682 29445 31849 46565 86838 42160 59227 34201 35835 33623 81006 97941 129447 35782 34122 44075 134746 78769 58581 29254 40376 34317 106383 103223 89108 39227 44155 34370 Orotate 0 0 0 0 0 37900 0 163898 144061 0 65542 0 0 0 0 88353 0 187771 0 0 0 161461 0 58960 103640 630684 178578 102858 0 116230 49639 0 0 0 513333 0 0 0 0 64088 132538 89407 (S)-Dihydroorotate 0 0 0 47583 0 77711 74759 107620 108902 84710 138576 0 78142 47414 0 43480 0 110781 0 0 88012 56363 71064 47283 105928 396801 131959 35150 0 77766 107116 76905 0 87586 439092 0 0 86553 0 76072 123128 0 2-Hydroxy-2,4-pentadienoate 80603 18690 27422 50698 40865 77352 63208 24873 22626 68533 67170 61863 74581 74443 55620 178991 111047 82922 57812 95487 86036 66838 62162 63987 63817 64297 33341 83497 60158 65703 64650 92308 52492 39906 96700 133546 45092 70144 92123 31358 77145 49418 2-Oxoglutarate 304328 259636 392358 78478 98859 132706 1604801 1554397 1361164 302610 220036 62330 1155245 849577 608108 301396 305369 281150 1945822 1228722 1340716 525097 485728 424782 813939 876906 970093 147204 171642 253441 547665 564950 559221 196163 545760 276898 1115149 1035667 1131058 272974 532992 480011 5-Oxoproline 489318 451066 343910 260089 275570 345017 580876 793695 795401 321515 312779 117267 683170 935056 645022 452635 452352 481539 834312 773276 1268183 1101803 321693 387210 855710 2592888 886755 255318 298213 455996 785011 617902 608234 230881 1557211 483111 447890 880545 969888 262488 483216 383805 N-Carbamoyl-L-aspartate 319896 309091 309693 134938 147300 173264 481219 448112 402642 379756 278997 134372 581731 425082 331007 397783 443652 396505 538239 390465 515429 450366 318465 278779 533271 1940974 528779 210512 262731 328215 493662 325633 293480 260974 1678933 266883 471268 441284 417259 373367 388743 329018 5-Valerolactone 940374 804440 1110859 696972 1166964 1252286 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 (R)-2-Hydroxyglutarate 154748 186215 201547 252125 283909 323011 218088 373778 392497 261686 294529 136869 186764 275205 205958 243555 243866 384119 252445 186377 401012 269697 265788 295705 273179 511357 426733 204745 244655 295403 299882 209152 243378 218227 536665 266463 172004 380047 343041 264891 405587 309631 L-Glutamate 42231076 70052352 30549928 13604504 11658670 10441088 41924404 46986808 43857512 21347724 17528204 4069378 45044832 35048524 26003652 20126684 17811006 19663046 44708132 29152134 37660836 21065566 16734986 14461077 42166080 52066072 50309880 13192334 12468113 21592026 39607904 35905660 29205882 16948298 26965656 11252503 43868332 40777304 35992396 21169386 22150092 16333720 phosphinomethylisomalate 68341 77251 91254 52578 56699 54928 88833 115077 99232 65241 72328 17193 106877 80278 81430 51517 57374 48587 107009 82324 103197 56441 57510 47300 88533 109640 119822 46011 45320 72804 127614 112355 108785 54679 93315 50565 90141 105554 106009 62923 72825 56124 TG(61:11) 0 0 248820 506922 562558 429866 342795 913153 451138 435225 602709 467307 425663 361397 0 391747 444730 570139 645825 140119 52854 673564 608427 700915 229906 242687 834191 641034 627855 656718 144028 590836 456204 622580 697667 591231 941377 1271233 377461 814945 679682 553387 L-alpha-Amino-gamma-oxalylaminobutyric acid 62223 49259 59924 21299 27637 30317 215967 200946 206564 100518 91378 37086 214166 194157 151108 82129 84475 93940 164533 145277 217088 93971 79637 72490 133977 282670 153783 47041 55979 77656 75633 53548 42923 35302 130185 40185 199823 210708 197260 92309 105942 88807 (S)-2-Aceto-2-hydroxybutanoate 99615 125794 105689 62020 69813 69766 106683 89499 101585 61466 60334 52069 104687 101485 114940 70913 58019 61625 102350 115468 122629 70661 63014 63978 97277 129337 101635 61890 61596 65393 163904 90690 89452 55873 81859 55772 64260 96014 144115 63733 66494 58375 D-myo-Inositol 1,2-cyclic phosphate 118767 111265 145716 74465 76542 76470 153800 148331 128000 94593 71064 29883 141635 103522 89549 71437 95457 86396 138993 114159 138024 100843 69906 70127 153758 231064 168876 47320 76559 80823 255392 202843 171626 93683 197779 76192 163848 139548 141411 105470 96555 79598 N-gamma-Acetyldiaminobutyrate 0 0 138390 51268 0 41471 77369 151119 147175 0 62280 0 0 67264 0 0 0 127964 0 0 45504 0 0 0 97468 123085 126797 69788 0 0 27863 0 0 0 56921 0 0 126158 84997 0 63535 0 N5-formyl-N5-hydroxy-L-ornithine 70572 62652 0 29960 0 30661 122821 137331 121856 103201 101650 0 52047 42161 0 89978 0 104672 0 0 59533 79512 63752 42222 82182 164902 116097 64302 0 66710 46292 0 0 0 78621 0 0 102622 65656 124861 90918 95243 L-Cystine 86729 71811 32244 21996 30588 70451 23236 29568 11317 59217 21666 25836 67618 100980 52736 168505 92955 146559 38932 51369 65246 34228 27425 31554 96230 56556 47452 64062 30439 75283 52878 90070 30674 11132 91342 87886 24090 62610 45252 11618 58697 45842 D-Galactose 52737 45860 37105 88394 81122 86680 104143 121567 100296 77690 90063 33102 78904 76544 64193 83637 74973 78549 116365 55023 118317 164074 78728 66373 80944 187010 103147 63876 80011 113923 84803 52234 60755 80040 293332 60147 81878 79645 64879 87711 100383 69469 D-Gluconic acid 1284849 964720 2003577 209167 369850 1026538 5212196 5168660 4598559 1524131 266612 64790 5090712 3645298 2326311 1567335 1257099 649458 7805461 4873352 4981966 1884575 1258469 258606 3951258 4521121 5249742 309734 245182 477095 2604505 2865989 2102405 259172 2807032 280635 4450168 4320115 3971131 527601 1391908 1350619 D-Fructose 6-phosphate 388508 435016 387906 168202 318249 319417 224668 316165 343470 168296 109169 88048 512127 341365 255942 225121 207589 308165 308856 218560 253033 158949 96749 112914 331116 502876 429831 93551 76691 144788 379982 309363 212561 135758 224351 175723 299201 342991 252230 121914 135744 124847 D-Glucose 6-phosphate 1196657 1315162 1142325 440458 904746 801698 572071 638189 794555 489942 222496 269292 1390551 965706 751370 747211 558832 617996 778492 628924 699400 442487 220325 175202 999173 1820848 1029668 308326 275319 522360 1151063 929206 514173 353604 794597 394807 882909 840546 565568 375666 363963 352650 Glycerophosphoglycerol 118305 107938 293851 26560 35643 40589 339324 202163 281381 36046 36334 0 321396 187664 139580 57326 39861 34332 152165 216686 196696 49644 33578 22245 283280 319566 239879 30175 13727 33729 517014 299505 182839 27748 81434 10313 123864 109184 208867 35350 39511 35949 D-Mannitol 1-phosphate 343110 363593 441858 429041 512310 693712 364164 566713 564201 537496 432105 219311 397882 457626 358305 679281 672720 825586 386331 318013 623699 661703 575207 599232 468094 831835 633378 354294 430083 596573 687317 447161 471495 473702 1138910 530199 371711 561261 495244 625109 825476 675021 Hydantoin-5-propionate 137411 125761 194689 27874 26679 33355 129612 176213 174665 95078 100263 38477 75101 94262 62515 27854 29470 54086 86844 47367 93072 94094 84609 99272 53943 88151 94429 73181 69090 109442 21655 14557 16318 19552 66396 30618 128959 165957 144511 85681 130818 100622 Citrate 384864 770564 390481 24898 88797 58116 122528 263124 241182 70298 36761 31506 197821 445296 640961 147768 144762 73887 193167 672177 523715 92867 99804 44561 262890 770512 358133 41529 73178 82978 298172 432268 149552 40998 120088 32032 101857 235341 274673 58414 81504 60628 (S)-AMPA 54991 78300 27723 0 0 0 48059 58822 47979 23684 25288 8582 33715 33338 44121 11734 8185 9503 53110 23595 40325 27468 30891 29713 37173 48546 55032 17585 22940 34102 43799 16783 14793 10308 10712 7543 43970 49944 40618 24590 30895 30554 N-Acetyl-L-glutamate 569276 404481 995201 67166 66188 75024 1179359 832079 1151006 111811 87959 53790 1403151 975140 761186 214866 103694 87456 732355 965495 1163547 111916 88102 70244 1283303 1660442 1213128 60804 65378 105109 1307087 1056513 830318 81836 187278 78351 452626 631058 946575 91903 91795 83310 FA oxo(7:0) 1131526 1196476 1828577 1362004 1898732 1930695 490406 643617 593653 513750 517639 691785 526483 527849 660940 529204 654015 671191 774117 546920 559096 766362 522334 588304 533314 522243 563055 546694 551886 674468 419689 803330 669626 393494 689841 572908 510398 613461 513872 596768 832764 517698 3-Propylmalate 124621 117069 102750 43910 68209 109803 121622 110746 110769 95851 61021 48821 101948 136364 96671 105875 84689 78499 114357 120857 116103 86161 82093 60052 110771 143618 134506 83055 61584 80945 114324 106910 98258 69916 134599 57086 108737 129319 103998 68353 96068 77920 N-Acetylornithine 187309 158315 238710 95223 67663 104314 176434 141587 134969 78486 93524 0 90932 81633 106883 68259 77151 137438 72298 0 78183 117632 118257 83089 176084 196491 185438 97015 74561 124987 97687 94045 51002 167335 144305 96785 0 124333 123436 159507 137319 129937 N-hydroxy DAP 170390 169929 208370 166196 131528 110324 100764 100487 113483 0 81405 0 174408 127989 125973 213655 193314 228116 54928 0 63246 60574 33017 31967 349480 747896 398917 57039 0 45705 208433 195587 91617 54632 174216 0 68048 116727 50276 47872 74761 0 D-Sedoheptulose 7-phosphate 499301 418511 488515 140083 171223 220986 324380 423393 428088 143168 106209 55287 519049 374562 309464 175549 169568 180506 383510 274394 381841 168165 131911 115989 481326 735936 515374 75760 95248 135297 595722 421383 324936 163627 317911 132204 425679 431119 348363 167389 196046 160897 6-formyl-H2-pterin 0 133674 0 0 0 34071 0 89394 68585 0 0 0 0 86447 99901 0 0 38248 72147 0 76434 0 0 0 47668 106287 115675 0 0 0 59495 0 0 0 67945 0 0 83936 43194 0 33101 0 N-Acetyl-D-mannosaminolactone 342289 279976 486321 25817 36910 103123 834359 978141 772509 205791 48688 6148 1018457 660243 525214 228531 221025 121137 1072641 587765 629529 236863 155768 36292 777163 955364 1046724 47166 47024 77831 439245 492357 416175 28366 301124 47838 989260 996418 821638 83586 218414 157931 Glutamylalanine 22705 36152 28271 7061 8877 6899 25465 52288 38130 20523 17773 0 23031 18798 16845 14387 7376 17941 21479 18449 22684 18907 18380 16059 17623 26783 31343 19133 13899 20345 0 7833 15948 13934 14742 5923 29955 37018 28786 15554 21372 21519 gamma-L-Glutamyl-L-cysteine 357884 199579 435521 38734 63337 121625 495904 558055 482141 165906 56598 29951 586670 482048 360984 339872 165413 88237 377172 269278 454186 217504 124826 65507 684304 740685 696391 29360 59109 79337 805366 711300 461614 50630 316894 46945 360035 439546 405549 75022 118530 123568 Glu-Ser 76267 86837 68570 31372 35596 48023 54234 108016 123709 35122 41786 16559 86796 85194 67501 41448 36423 51754 78835 49277 94129 27420 27366 28677 92077 208546 139382 32052 39983 49374 87598 58186 63251 40603 82014 31433 88199 125045 96218 29483 55392 31724 N-Acetyl-L-citrulline 69390 76186 73980 78418 36273 69865 0 22563 0 0 0 0 61942 23778 0 90309 63862 85104 0 0 0 0 0 0 132296 241023 124528 0 0 0 84610 38245 0 0 62973 0 0 19471 0 0 15019 0 Gln-Ser 163727 129060 133731 150152 112315 108911 83430 87471 67662 49787 62026 0 110134 84117 74046 179640 128403 144461 45128 0 54264 51612 39960 51374 227597 359700 220047 61793 32244 81094 137463 92997 85049 89879 194066 0 62823 64741 47814 66983 74419 40224 N6-Acetyl-N6-hydroxy-L-lysine 108498 210813 206220 119123 126517 118507 0 85561 78067 0 50242 0 89307 92514 66112 179980 179391 202018 0 0 28443 0 0 39164 198940 323637 205370 57386 51346 97121 116577 79583 72692 0 112958 0 0 77003 47144 68530 89477 64053 3-[4-amino-3-hydroxybutyl]-hydroxy-carbamoyl-propanoate 0 0 0 56060 59164 33639 0 0 0 0 0 0 0 0 0 0 0 117044 0 0 0 0 0 0 56777 184067 107032 0 0 0 61666 0 0 0 55051 0 0 0 0 0 0 0 Lys-Gly 94955 130213 116356 37355 41159 55982 183619 218702 219276 119692 108063 40501 165542 172459 129418 103277 102690 118953 106349 96369 166634 104535 105598 105305 140556 89454 193128 56526 81261 113451 39254 29823 33363 69362 55319 66441 134898 204720 179389 118546 142023 119835 4-Hydroxyphenylglyoxylate 1320863 1629233 1784465 1649045 1689717 1906131 1318819 1588559 1878779 1454077 1644888 1557901 1471183 2044014 1661882 1290485 1284612 1437850 1698206 1376637 1918538 1367230 1331737 1496993 1511193 2380099 1905422 1389117 1322304 1430098 1618924 1531635 1418689 1514150 2067052 1670263 1306072 1697904 1535147 1413637 1433753 1305916 5-Pyridoxolactone 380267 445217 351650 270110 264099 259451 415485 446013 397556 295223 289109 215319 394493 431688 343947 296891 265346 278081 392197 329578 388961 327664 293953 272356 439814 470625 466461 311095 254270 272744 439395 339300 313106 282293 387101 231705 408829 446400 343445 264622 280265 260859 UMP 339582 430821 572747 96696 56964 77325 892589 1400379 1075228 105709 115070 26333 828730 577031 533502 118861 152701 154177 954863 710606 1213961 349034 519527 420271 586070 873410 965074 86626 119547 100680 709795 568561 693472 144674 622216 238981 670924 1115280 1032015 217610 459127 324637 2'-azido-2'-deoxyuridine-5'-diphosphate 235673 282796 145172 0 7599 16237 134080 70990 84723 20717 0 0 149902 133697 193181 34429 51432 27977 102949 171449 142090 43702 12396 14987 142183 30472 93990 12456 13823 7270 136841 75038 74272 13795 7189 8145 103440 35148 100405 41260 38546 15423 N-Succinyl-L-glutamate 2622638 2028530 1682557 165959 214471 227587 2343593 2404067 1768222 311496 209410 84868 2626779 1549739 2970114 475654 418962 374149 2566154 1794277 3754227 472254 308875 191617 2575314 4259880 2875171 150114 194759 248933 4233722 2139173 1538301 324185 625102 221109 2102747 2248925 1828137 395517 378246 256880 UDP 259621 372938 155891 5624 7513 6040 149890 83616 116955 8263 3964 0 151486 124568 179625 21543 36243 23182 106077 155643 186509 43188 16724 20173 128943 353266 109995 0 5506 5100 137916 86295 94674 15139 50717 6634 93842 57223 116724 24499 26225 8603 5-6-Dihydrouridine 696379 582234 819100 136014 255178 283532 1062996 1117465 971072 505917 239672 19530 1253742 831745 795236 428258 474047 382983 1358364 862829 930094 509577 440014 152689 1029925 1000342 1178422 279356 210083 392942 680457 674872 603520 156842 547991 170058 1254442 1180108 966016 367839 553620 378684 CMP 104965 118144 135648 32266 20029 25103 173012 173182 170785 26303 28178 0 176074 98149 93745 28374 48314 33697 163420 163244 195857 63796 86719 92085 118421 146326 155712 17013 24241 25890 152842 160051 186255 38127 153596 49151 136036 171946 171286 47977 87062 67674 CDP 112265 171702 46123 0 0 0 40918 24979 30894 0 0 0 42067 39634 59593 4951 6999 5405 26221 46423 65981 11319 0 0 39343 66693 33764 0 0 0 58824 31326 34712 0 5795 0 25330 15085 32853 5537 0 0 Ala-Ala-Ala 0 0 0 100284 63396 73698 0 43228 0 0 0 0 0 0 0 156283 106114 167965 0 0 0 0 0 0 181134 246483 183944 0 0 0 106670 0 70056 0 120707 0 0 40253 0 0 46780 0 N-α-acetyl lysine methyl ester 85538 67670 177333 0 0 28287 113476 257834 164361 0 24453 0 90239 54417 30424 67827 35417 54474 121947 0 53647 68485 0 20254 73375 77861 81953 16714 0 21087 14970 0 0 0 25050 0 237464 203226 111525 0 67618 90426 D-4'-Phosphopantothenate 503101 523875 665821 126926 150186 176029 501144 625704 609643 149618 102238 56943 569831 521032 433603 162659 184467 195088 560374 439431 754678 164502 145650 113733 571300 837099 817549 93328 109987 135623 657399 491543 524442 144249 283760 163427 518630 626766 633319 152856 187778 148411 Lys-Ser 281024 157777 361978 136678 203587 107655 136300 72650 67590 78500 72836 25896 216013 109167 150163 312867 279918 239124 91055 86268 57584 77118 74359 73493 304856 250494 242849 53060 58681 111794 154364 233780 207427 81552 72569 81682 118586 87658 95098 86871 110253 107032 Adrenochrome 143619 190040 156973 192706 196282 174672 151213 202256 213577 168730 172339 0 199633 155052 160593 106792 146103 178995 287541 139164 219018 170317 157473 152388 186308 188782 244416 90092 108815 176574 185347 260049 216466 153824 163226 171863 270982 278057 252821 200340 198987 187096 Hydroxymethylphosphonate 651591 995694 95404 31832 29107 32065 149054 155713 157083 34612 29067 8989 154511 113767 458476 51090 44254 48457 134857 88473 378802 52325 40231 27903 166393 197988 210477 30645 32948 36657 316154 125852 112658 42197 52125 43478 108393 132281 118983 41156 54534 34911 Sulfate 0 822627 691033 476760 0 513312 397630 0 550167 568288 571311 471844 401927 639936 743696 558939 608028 498314 502864 662407 608858 484861 666257 507712 515009 675164 704581 550749 541449 590086 615473 641316 540745 491185 668606 461693 206701 686556 548707 513121 534800 506265 Orthophosphate 18399534 19788492 17146152 7286724 10122993 12806594 17004094 14993033 17375212 13991921 10949298 8572842 17382180 16684360 18341176 13696703 13185418 10782873 14911560 17141796 18912922 12305152 11853957 10192831 16817616 21008254 16828698 9833268 10761768 10575918 18156398 18203582 17486140 8901726 12566401 12050721 14099479 14735635 16531722 11159180 11680688 13858968 metabolite_name Retention time Mass KEGG ID LM ID InchiKEY HMDB ID 4-Amino-4-deoxychorismate 13.7471187 225.0639609 C11355 OIUJHGOLFKDBSU-HTQZYQBOSA-N IMP 15.43778303 348.0475223 C00130 GRSZFWQUAKGDAV-KQYNXXCUSA-N HMDB00175 Guanosine 12.2839458 283.0919726 C00387 NYHBQMYGNKIUIF-UUOKFMHZSA-N HMDB00133 GMP 16.85579165 363.0583517 C00144 RQFCJASXJCIDSX-UUOKFMHZSA-N HMDB01397 dGDP 15.57558617 427.029878 C00361 CIKGWCTVFSRMJU-KVQBGUIXSA-N HMDB00960 GDP 19.3100055 443.0248826 C00035 QGWNDRXFNXRZMB-UUOKFMHZSA-N HMDB01201 FA dioxo(10:0) 4.639510151 200.1051045 LMFA01060079 AEVOBXGBFZDZTC-UHFFFAOYSA-N Norophthalmicacid 15.33573931 275.1122798 RPVCUZZJCXVVDW-WDSKDSINSA-N HMDB05766 Glutathione 14.2552441 307.0840306 C00051 RWSXRVCMGQZWBV-WDSKDSINSA-N HMDB00125 L-beta-aspartyl-L-leucine 12.16411384 246.1215989 IYJILWQAFPUBHP-UHFFFAOYSA-N HMDB11166 Gammaglutamylornithine 16.35356131 261.1325535 FCQBDQYWNGUTPD-BQBZGAKWSA-N HMDB02248 Val-Val 7.508760661 216.147377 KRNYOVHEKOBTEF-HTQZYQBOSA-N Ile-Thr 7.516994907 232.1424189 FA hydroxy(10:0) 4.562127404 188.1413005 LMFA01050029 GHPVDCPCKSNJDR-UHFFFAOYSA-N beta-Citryl-L-glutamic acid 20.74445696 321.070098 GAQNUGISBQJMKO-YFKPBYRVSA-N HMDB13220 N-Acetyl-aspartyl-glutamate 17.43444453 304.0912662 C12270 OPVPGKGADVGKTG-UHFFFAOYSA-N HMDB01067 [FA hydroxy(11:2/11:2)] 2R,9R-dihydroxy-3S,4S,7S,8S-diepoxy-5E,10-undecadien-1-ol 4.643160744 228.1000864 LMFA05000013 WWAQOPQUSWZTHG-SHEFQFEDSA-N 2,7-Anhydro-alpha-N-acetylneuraminic acid 13.1558109 291.0957105 C04521 NCMJSVDTRDLWJE-GSQQXRCOSA-N L-gamma-glutamyl-L-isoleucine 10.54917687 260.1369943 SNCKGJWJABDZHI-UHFFFAOYSA-N HMDB11170 CMP-2-aminoethylphosphonate 15.01941225 430.0655746 C05673 FBADRUOBFLBKJQ-PEBGCTIMSA-N CDP-ethanolamine 16.19360914 446.0606259 C00570 WVIMUEUQJFPNDK-PEBGCTIMSA-N HMDB01564 Met-Cys-Cys 18.64894033 355.0689784 Ile-Val 7.484544881 230.1630074 BCXBIONYYJCSDF-CIUDSAMLSA-N [FA (11:0)] undecanoic acid 4.013721077 186.1621059 LMFA01010011 ZDPHROOEEOARMN-UHFFFAOYSA-N HMDB00947 p-aminobenzoyl glutamate 14.82253017 266.0901464 GADGMZDHLQLZRI-UHFFFAOYSA-L 4-Hexyloxyphenol 3.876357182 240.1362731 C14305 XIIIHRLCKLSYNH-UHFFFAOYSA-N furaneol glucopyranoside 14.5332688 352.1012852 VIVUUBYKBXDNAJ-QPLYKKBVSA-N ferric dicitrate 14.47284449 446.03702 C06229 ISOHCBXAFHMIHK-UHFFFAOYSA-N Ile-Lys 12.07901314 259.18972 sodium dodecyl sulfate 3.697253734 266.155243 MOTZDAYCYVMXPC-UHFFFAOYSA-M Trp-Gly 8.290646023 261.1113853 UYKREHOKELZSPB-JTQLQIEISA-N (R)-S-Lactoylglutathione 13.91546615 379.1050484 C03451 VDYDCVUWILIYQF-CSMHCCOUSA-N HMDB01066 Asp-Cys-Cys-Ser 17.06926455 426.0886181 Gamma-Glutamyltyrosine 14.01863096 310.1169232 VVLXCWVSSLFQDS-QWRGUYRKSA-N HMDB11741 Sinalbin 14.6132407 424.0374694 C08426 WWBNBPSEKLOHJU-LPUQOGTASA-N Rishitin 3.892659755 222.1621515 C09715 XSCYYIVXGBKTOC-GZZJDILISA-N Glu-Asp-Val 16.37168611 361.1483905 CMP-N-trimethyl-2-aminoethylphosphonate 13.94148865 508.0895093 C05674 RNUGPSIGKYHQNQ-OJAKKHQRSA-O Zinnimidine 7.471805936 261.1367734 C10626 DSOITGJEUKHAJN-UHFFFAOYSA-N Cyclic ADP-ribose 13.61537103 541.0599561 C13050 BQOHYSXSASDCEA-KEOHHSTQSA-N Mukaadial 4.587661099 302.1288019 C09702 AMHCJQBKGMEAAJ-NZBPQXDJSA-N Lys-Tyr 13.89465003 309.1693521 UDP-glucose 16.70176572 566.0554874 C00029 HSCJRCZFDFQWRP-JZMIEXBBSA-N HMDB00286 Pro-Thr-Ser-Ser 12.57095719 390.1751984 GDP-mannose 18.63463612 605.0778412 C00096 MVMSCBBUIHUTGJ-GDJBGNAASA-N HMDB01163 Dihydrozeatin-O-glucoside 10.92459651 383.1807177 C16448 QRZHDHJUYBONQQ-UFZVAZPKSA-N HMDB12214 Ala-Leu-Thr-Ala 13.96023585 374.2167967 FA hydroxy(16:0)] hexadecanoic acid 3.901541675 272.2350644 LMFA01050047 JGHSBPIZNUXPLA-UHFFFAOYSA-N Phytuberin 3.90081461 294.1833162 C09709 YARAJYKHRCCDLG-XLNGHYISSA-N UDP-N-acetyl-D-galactosamine 15.27670626 607.0822214 C00203 LMSL01010002 LFTYTUAZOPRMMI-UHFFFAOYSA-N HMDB00304 Asp-Met-Pro-Ser 14.74140304 484.1391316 Kinobscurinone 13.90630288 306.0526621 C12391 KESQQXMHWJFEFV-UHFFFAOYSA-N Ala-Asp-Gly-Tyr 14.48248949 424.1597764 [FA (18:1)] 9Z-octadecenoic acid 3.762589654 282.2560531 C00712 LMFA01030002 ZQPPMHVWECSIRJ-KTKRTIGZSA-N HMDB00207 Ala-Ala-Asp-Tyr 11.22542438 438.1755508 FA (19:1) 3.751943269 296.2715322 LMFA01030083 INKQLYSQWHBEGS-ISLYRVAYSA-N Cys-Phe-Cys-Gln 14.5877284 499.1547287 Glutathione disulfide 17.51530808 612.1525413 C00127 YPZRWBKMTBYPTK-BJDJZHNGSA-N HMDB03337 FA (20:4) 3.773755452 304.2406714 C00219 LMFA01030001 YZXBAPSDXZZRGB-DOFZRALJSA-N HMDB01043 Icosatrienoic acid 3.754733333 306.2562962 C16522 LMFA01030378 AHANXAKGNAKFSK-PDBXOOCHSA-N Asp-Leu-Lys-Asp 13.90784998 489.2445165 Deamino-NAD+ 14.21418111 664.093965 C00857 SENPVEZBRZQVST-HISDBWNOSA-O HMDB01179 NADP+ 17.02982668 743.0765117 C00006 XJLXINKUBYWONI-NNYOXOHSSA-O HMDB00217 Ala-Met-Asp-Tyr 10.45781868 498.1797248 Glu-Glu-Gln-His 16.3252507 541.2135916 Cys-Leu-Cys-Tyr 10.46346488 500.1772861 Glu-Glu-Lys-Pro 16.37258405 501.2439647 Ala-Ile-Ile-Lys 14.98725146 489.3166463 [FA (22:5)] 7Z,10Z,13Z,16Z,19Z-docosapentaenoic acid 3.748513456 330.2565886 C16513 LMFA04000044 YUFFSWGQGVEMMI-JLNKQSITSA-N HMDB06528 Lys-Lys-Val-Val 27.8078017 518.3420274 Lys-Lys-Met-Val 27.74410934 550.3134996 [PG (16:0)] 1-hexadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol) 3.815521691 484.280313 LMGP04050008 BVJSKAUUFXBDOB-LEWJYISDSA-N Ala-Leu-Trp-Ser 7.517128337 475.2432729 Bile salt 4.636894775 408.2876713 C01558 BHQCQFFYRZLCQQ-UMZBRFQRSA-N [PG (18:1)] 1-(9E-octadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol) 3.784301575 510.2958925 LMGP04050003 FQQQKGAFQIIGLQ-XRDMFJJNSA-N [PG (18:0)] 1-octadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol) 3.753881135 512.311551 LMGP04050009 HFJVKBVEKQHVTO-XZOQPEGZSA-N Ala-Lys-Met-Trp 14.5329681 534.2609702 LysoPE(20:4) 4.316896513 501.285778 YWOCITMXHHTBAW-XSQXPFHXSA-N HMDB11487 Chenodeoxyglycocholate 4.37656542 449.3144029 C05462 LMST05030003 GHCZAUBVMUEKKP-AFQLCFGXSA-N HMDB06898 PS(O-20:0/0:0) 4.337564097 585.3643072 LMGP03060001 ZEPUSHULPSPFJG-RPBOFIJWSA-N Cholesterolsulfate 3.608230744 466.3123801 LMST05020016 BHYOQNUELFTYRT-DPAQBDIFSA-N HMDB00653 [PI(18:0)] 1-octadecanoyl-sn-glycero-3-phospho-(1'-myo-inositol) 4.079231389 600.3275796 LMGP06050004 MXAFDFDAIFZFET-HULSJBAWSA-N [ST (12:0) homo-seco-cholestatrien-tetrol 4.226628744 488.3131976 LMST03020315 UKQNCFNXBITWKF-JUOPNIRESA-N Oxalate 19.59099139 89.9954032 C00209 LMFA01170031 MUBZPKHOEPUJKR-UHFFFAOYSA-N HMDB02329 2-phosphono-3-sulfoproprionate 18.49991659 265.9498678 VBVRZFXJOVCTGU-UHFFFAOYSA-K Ethanolamine phosphate 15.66804535 141.0193154 C00346 SUHOOTKUPISOBE-UHFFFAOYSA-N HMDB00224 [SP (16:0)] N-(hexadecanoyl)-sphing-4-enine 3.819700328 537.5125522 C00195 LMSP02010004 YDNKGFDKKRUKPY-TURZORIXSA-N HMDB04949 PA(32:0) 3.644421073 648.4731556 LMGP10010866 PE(31:4) 7.520986774 669.4361342 LMGP02010394 LJRKKSBIPGDNNM-FCDKFIKWSA-N DG(34:3) 3.734192371 636.4969903 PA(34:2) 3.624671794 672.4735659 LMGP10010023 DG(34:1) 3.764182807 640.5267365 LMGL02010004 GSEVZLBSIOIEFK-AAOCECEDSA-N PA(34:1) 3.632760879 674.4887756 LMGP10010007 PE(32:1) 3.974451888 689.4999055 PG(32:1) 3.589767288 720.4943306 DG(36:3) 3.737028856 664.5282947 C00165 LMGL02010056 BLZVZPYMHLXLHG-JOBMVARSSA-N HMDB07219 PE(34:3) 3.944580515 713.4996038 LGHHSOARZMNIGJ-DFCPKGTFSA-N PG(33:1) 3.573405457 734.5096368 LMGP04010254 YBMBGCRCYPZPRW-NYMVISBMSA-N PE(34:1) 3.922817288 717.5310938 DVXMEPWDARXHCX-OTMQOFQLSA-N Hydroxypyruvate 16.24682854 104.0110399 C00168 HHDDCCUIIUWNGJ-UHFFFAOYSA-N HMDB01352 Phosphoenolpyruvate 18.39097376 167.982636 C00074 DTBNBXWJWCWCIK-UHFFFAOYSA-N HMDB00263 (S)-Lactate 9.665195404 90.03171475 C00186 JVTAAEKCZFNVCJ-REOHCLBHSA-N HMDB00190 L-Serine 15.68078771 105.0427119 C00065 MTCFGRXMJLQNBG-REOHCLBHSA-N HMDB00187 Glycerone phosphate 15.51938899 169.9982226 C00111 GNGACRATGGDKBX-UHFFFAOYSA-N HMDB01473 2-Phospho-D-glycerate 17.91446844 185.9931019 C00631 GXIURPTVHJPJLF-UWTATZPHSA-N HMDB03391 O-Phospho-L-serine 16.7259855 185.0091926 C01005 BZQFBWGGLXLEPQ-REOHCLBHSA-N HMDB01721 sn-Glycerol 3-phosphate 15.04343915 172.0138676 C00093 AWUCVROLDVIAJX-GSVOUGTGSA-N HMDB00126 PG(34:2) 3.569141508 746.5104154 LMGP04010485 OKLFBFZTIAAQCG-OPIKARGUSA-N PG(34:1) 3.56800409 748.5257766 LMGP04010457 YIQBSYSBVXVBAC-JYMHUOGFSA-N PE(36:5) 3.835311635 737.4985175 LOVKENPUWMFUJV-XVIXSHTPSA-N PE(36:4) 3.861279858 739.5150953 KUPNWZACJRZMJD-SIOSMUJOSA-N PE(36:3) 3.882256097 741.5300799 FRZXKSQGAKPAPK-XKDWLADFSA-N PE(36:2) 3.885800939 743.5473168 C00350 LMGP02010034 VHHMKXOBDPAFKC-HWQBUQMOSA-N HMDB09026 PE(36:1) 3.892978521 745.5611288 LICSIKXBSOVGBP-VEAYGOGPSA-N PS(36:2) 3.634823263 787.5366964 AGTPCXBHIGMTEU-NREGDSCDSA-N PG(36:2) 3.564507543 774.5411413 CZVJBYZXTBYGJR-XAODMQRJSA-N PG(36:1) 3.568301891 776.5551842 URDBSUCIYKJPCG-INSSKLQOSA-N PS(O-36:1) 3.902707869 821.5785715 LMGP03020012 NHFUOLYNPLVMLN-BFCPHGQOSA-N PE(38:6) 3.782220205 763.5158471 PE(38:5) 3.802780502 765.5299055 PE(O-38:5) 3.861195604 751.5523634 C00350 LMGP02030003 URPXXNCTXCOATD-FXMFQVEGSA-N HMDB05779 PI(34:1) 3.630115077 836.5404847 PS(38:7) 3.637000932 805.4877269 JFVIHLIFBOBUBC-OZMWHMDYSA-N PS(38:6) 3.626272007 807.504382 PWBBJQOVCTWPIM-FAYDGCQZSA-N PG(38:5) 3.562740887 796.5249051 LVQOWSPRPQUBPY-MCQYTGMZSA-N PS(38:4) 3.626400618 811.5364549 IULWELDCBXQXED-DWOSIAKHSA-N PG(38:4) 3.562482069 798.5394819 GGSONEYZZWVXFY-QPQYMHNXSA-N PI(36:4) 3.622968258 858.5246409 QQQIZZJWFPGZFU-XZJTVJSISA-N PI(36:3) 3.628824346 860.5404143 WSWLAMCUBAIQKH-XZMLFBLDSA-N PA(P-42:4) 4.16811761 764.5703282 LMGP10030085 RLYSMZKMLSAVDA-YNURERCLSA-N PI(36:2) 3.632652503 862.5571488 LALGUHSIWLNTNW-SHLWDWSJSA-N PI(36:1) 3.63483942 864.5724955 PONHAMBNZIFEKT-HLQOLDBXSA-N PS(40:7) 3.613255037 833.5190131 PS(40:6) 3.625295593 835.5360758 PS(40:5) 3.618990551 837.5502604 PG(40:5) 3.559087494 824.5560798 PI(38:5) 3.631837503 884.5417879 WMVAOBOFQHVKTL-VEAQMIGASA-N PI(38:4) 3.626237175 886.5569444 KRTOMQDUKGRFDJ-MWZLTEOLSA-N PG(41:2) 4.236059952 844.617296 LMGP04010477 CNTGVCVFGPEWKQ-NQTRGSPBSA-N SM(d18:0/24:1(15Z)(OH)) 4.355294755 874.6789272 C00550 HMDB13469 PI(40:5) 3.626285952 912.5727534 demethyl-phosphinothricin 14.65743234 203.0109563 IDBRULKICVRMNG-VKHMYHEASA-M fosmidomycin 14.5132423 183.0299342 GJXWDTUCERCKIX-UHFFFAOYSA-M Fumarate 16.56009914 116.0110668 C00122 VZCYOOQTPOCHFL-OWOJBTEDSA-N HMDB00134 Succinate 15.58518701 118.0267631 C00042 LMFA01170043 KDYFGRWQOYBRFD-UHFFFAOYSA-N HMDB00254 (S)-Malate 16.5841006 134.0216838 C00149 BJEPYKJPYRNKOW-REOHCLBHSA-N HMDB00156 (R,R)-Tartaric acid 19.09034782 150.0166613 C00898 FEWJPZIEWOKRBE-UHFFFAOYSA-N HMDB00956 L-Aspartate 15.02221725 133.0376561 C00049 CKLJMWTZIZZHCS-REOHCLBHSA-N HMDB00191 L-Asparagine 15.19381325 132.0536538 C00152 DCXYFEDJOCDNAF-REOHCLBHSA-N HMDB00168 D-Erythrose 14.74734481 120.0423714 C01796 FMAORJIQYMIRHF-HERZVMAMSA-N HMDB02649 [FA trihydroxy(4:0)] 2,3,4-trihydroxy-butanoic acid 12.62940772 136.0373455 C01620 LMFA01050097 JPIJQSOTBSSVTP-UHFFFAOYSA-N HMDB00943 L-Threonine 14.33124598 119.0583725 C00188 AYFVYJQAPQTCCC-GBXIJSLDSA-N HMDB00167 Gly-Ser 14.61933709 162.0640044 WOUIMBGNEUWXQG-UHFFFAOYSA-N 2-Deoxy-D-ribose 5-phosphate 13.89473139 214.0244911 C00673 KKZFLSZAWCYPOC-PYHARJCCSA-N HMDB01031 D-Ribose 5-phosphate 15.83542356 230.01941 C00117 KTVPXOYAKDPRHY-SOOFDHNKSA-N HMDB01548 2-C-Methyl-D-erythritol 4-phosphate 14.20006042 216.0403236 C11434 XMWHRVNVKDKBRG-UHNVWZDZSA-N sn-glycero-3-Phosphoethanolamine 15.35199595 215.0562022 C01233 JZNWSCPGTDBMEW-RXMQYKEDSA-N HMDB00114 Orotate 10.37707854 156.0172158 C00295 PXQPEWDEAKTCGB-UHFFFAOYSA-N HMDB00226 (S)-Dihydroorotate 11.29624513 158.0328221 C00337 UFIVEPVSAGBUSI-REOHCLBHSA-N HMDB00528 2-Hydroxy-2,4-pentadienoate 14.77102235 114.0318197 C00596 VHTQQDXPNUTMNB-ONEGZZNKSA-N 2-Oxoglutarate 16.187983 146.0216608 C00026 KPGXRSRHYNQIFN-UHFFFAOYSA-N HMDB00208 5-Oxoproline 10.18724369 129.0426874 C01879 ODHCTXKNWHHXJC-VKHMYHEASA-N HMDB00267 N-Carbamoyl-L-aspartate 17.31763214 176.0435427 C00438 HLKXYZVTANABHZ-REOHCLBHSA-N HMDB00828 5-Valerolactone 7.505203349 100.0525265 C02240 OZJPLYNZGCXSJM-UHFFFAOYSA-N (R)-2-Hydroxyglutarate 15.62260523 148.0373945 C01087 HWXBTNAVRSUOJR-GSVOUGTGSA-N HMDB00606 L-Glutamate 14.66294996 147.0532993 C00025 WHUUTDBJXJRKMK-VKHMYHEASA-N HMDB00148 phosphinomethylisomalate 15.05513584 212.0088723 TG(61:11) 3.551002423 1012.770567 LMGL03016756 SKHIKGCNPOERGT-WVMNATIMSA-N L-alpha-Amino-gamma-oxalylaminobutyric acid 16.88950444 190.05927 C08266 DSBZQNMJXKJWTO-VKHMYHEASA-N (S)-2-Aceto-2-hydroxybutanoate 14.35541948 146.058038 C06006 LMFA01050383 VUQLHQFKACOHNZ-LURJTMIESA-N HMDB06900 D-myo-Inositol 1,2-cyclic phosphate 17.36687115 242.0195879 C04299 SXHMVNXROAUURW-FTYOSCRSSA-N HMDB01125 N-gamma-Acetyldiaminobutyrate 11.00505988 160.0848345 C06442 YLZRFVZUZIJABA-YFKPBYRVSA-N N5-formyl-N5-hydroxy-L-ornithine 11.80462182 176.0797288 L-Cystine 16.34610243 240.0241524 C00491 LEVWYRKDKASIDU-UHFFFAOYSA-N HMDB00192 D-Galactose 12.96261325 180.0636019 C00124 WQZGKKKJIJFFOK-SVZMEOIVSA-N HMDB00143 D-Gluconic acid 14.21841839 196.058484 C00257 RGHNJXZEOKUKBD-SQOUGZDYSA-N HMDB00625 D-Fructose 6-phosphate 16.21074436 260.0299388 C00085 BGWGXPAPYGQALX-VRPWFDPXSA-N HMDB00124 D-Glucose 6-phosphate 17.05811954 260.0300132 C00092 NBSCHQHZLSJFNQ-GASJEMHNSA-N HMDB01401 Glycerophosphoglycerol 14.16970581 246.0508344 C03274 LLCSXHMJULHSJN-UHFFFAOYSA-N D-Mannitol 1-phosphate 15.37684029 262.0456878 C00644 GACTWZZMVMUKNG-UHFFFAOYSA-N HMDB01530 Hydantoin-5-propionate 15.57834563 172.048664 C05565 VWFWNXQAMGDPGG-UHFFFAOYSA-N HMDB01212 Citrate 19.36974133 192.0273392 C00158 KRKNYBCHXYNGOX-UHFFFAOYSA-N HMDB00094 (S)-AMPA 14.71092798 186.0642149 C13672 UUDAMDVQRQNNHZ-YFKPBYRVSA-N N-Acetyl-L-glutamate 14.31900972 189.0639069 C00624 RFMMMVDNIPUKGG-YFKPBYRVSA-N HMDB01138 FA oxo(7:0) 7.511774436 144.0787384 LMFA01060011 IDDYNNYMUPHFMO-UHFFFAOYSA-N 3-Propylmalate 14.34357445 176.068642 C02123 LMFA01170064 LOLHYFQEDPGSHZ-AKGZTFGVSA-N N-Acetylornithine 9.149453328 174.1004615 C00437 JRLGPAXAGHMNOL-LURJTMIESA-N HMDB03357 N-hydroxy DAP 12.16857804 206.0904622 YCDSWADGJKMVHC-UHFFFAOYSA-M D-Sedoheptulose 7-phosphate 16.38562048 290.040612 C05382 JDTUMPKOJBQPKX-UHFFFAOYSA-N 6-formyl-H2-pterin 8.962031962 191.0444429 LLJAQDVNMGLRBD-UHFFFAOYSA-N N-Acetyl-D-mannosaminolactone 14.14054909 219.0744576 C03776 NELQYZRSPDCGRQ-XZBKPIIZSA-N Glutamylalanine 14.89403391 218.0903693 JZDHUJAFXGNDSB-UHFFFAOYSA-N HMDB03764 gamma-L-Glutamyl-L-cysteine 14.14260129 250.0627028 C00669 RITKHVBHSGLULN-WHFBIAKZSA-N HMDB01049 Glu-Ser 15.70863051 234.0854504 N-Acetyl-L-citrulline 12.38730004 217.106376 C15532 WMQMIOYQXNRROC-LURJTMIESA-N HMDB00856 Gln-Ser 12.81878363 233.1012762 N6-Acetyl-N6-hydroxy-L-lysine 9.432439618 204.1112103 C03955 YXKGOSZASIKYPU-ZETCQYMHSA-N 3-[4-amino-3-hydroxybutyl]-hydroxy-carbamoyl-propanoate 11.19681018 220.1059097 Lys-Gly 16.76009431 203.1272448 4-Hydroxyphenylglyoxylate 15.6068101 166.0267862 C03590 KXFJZKUFXHWWAJ-UHFFFAOYSA-N 5-Pyridoxolactone 14.40156154 165.0427859 C06052 PPAXBSPBIWBREI-UHFFFAOYSA-N HMDB04291 UMP 15.19240285 324.0359475 C00105 DJJCXFVJDGTHFX-XVFCMESISA-N HMDB00288 2'-azido-2'-deoxyuridine-5'-diphosphate 15.5770333 464.9854206 JPDZOZSNEDHGDF-RNMRRNDGSA-K N-Succinyl-L-glutamate 14.52824404 247.0694766 C05931 JCNBNOQGFSXOML-YFKPBYRVSA-N UDP 17.33209001 404.0025396 C00015 XCCTYIAWTASOJW-XVFCMESISA-N HMDB00295 5-6-Dihydrouridine 14.04109397 246.0853449 ZPTBLXKRQACLCR-XVFCMESISA-N HMDB00497 CMP 15.8480583 323.0520987 C00055 IERHLVCPSMICTF-XVFCMESISA-N HMDB00095 CDP 17.90685176 403.0186277 C00112 ZWIADYZPOWUWEW-XVFCMESISA-N HMDB01546 Ala-Ala-Ala 10.20165765 231.122034 N-α-acetyl lysine methyl ester 6.441332881 202.1319196 D-4'-Phosphopantothenate 15.33131543 299.0773851 C03492 XHFVGHPGDLDEQO-ZETCQYMHSA-N HMDB01016 Lys-Ser 16.35389504 233.1377583 Adrenochrome 4.624254501 179.0582979 RPHLQSHHTJORHI-UHFFFAOYSA-N HMDB12884 Hydroxymethylphosphonate 14.52648966 111.9926476 C06455 GTTBQSNGUYHPNK-UHFFFAOYSA-N Sulfate 19.66550627 97.96742103 C00059 QAOWNCQODCNURD-UHFFFAOYSA-N HMDB01448 Orthophosphate 14.17739079 97.97709355 C00009 NBIIXXVUZAFLBC-UHFFFAOYSA-N HMDB02142