Metabolite_name RefMet_name S00008979 S00008980 S00008981 S00008982 S00008983 S00008984 S00008985 S00008986 S00008987 S00008988 S00008999 S00009000 S00009001 S00009002 S00009003 S00009004 S00009005 S00009006 S00009007 S00009008 S00008989 S00008990 S00008991 S00008992 S00008993 S00008994 S00008995 S00008996 S00008997 S00008998 Factors - Cell line:MDA-MB-231 Cell line:MDA-MB-231 Cell line:MDA-MB-231 Cell line:MDA-MB-231 Cell line:MDA-MB-231 Cell line:MDA-MB-231 Cell line:MDA-MB-231 Cell line:MDA-MB-231 Cell line:MDA-MB-231 Cell line:MDA-MB-231 Cell line:MDA-MB-231 p38 gamma knockdown Cell line:MDA-MB-231 p38 gamma knockdown Cell line:MDA-MB-231 p38 gamma knockdown Cell line:MDA-MB-231 p38 gamma knockdown Cell line:MDA-MB-231 p38 gamma knockdown Cell line:MDA-MB-231 p38 gamma knockdown Cell line:MDA-MB-231 p38 gamma knockdown Cell line:MDA-MB-231 p38 gamma knockdown Cell line:MDA-MB-231 p38 gamma knockdown Cell line:MDA-MB-231 p38 gamma knockdown Cell line:MDA-MB-231 scrambled control Cell line:MDA-MB-231 scrambled control Cell line:MDA-MB-231 scrambled control Cell line:MDA-MB-231 scrambled control Cell line:MDA-MB-231 scrambled control Cell line:MDA-MB-231 scrambled control Cell line:MDA-MB-231 scrambled control Cell line:MDA-MB-231 scrambled control Cell line:MDA-MB-231 scrambled control Cell line:MDA-MB-231 scrambled control 11-BETA-HYDROXYANDROST-4-ENE-3_17-DIONE 11beta-Hydroxyandrost-4-ene-3,17-dione 128228 50166 96973 36495 92627 33325 41037 31578 38040 69385 20101 52531 24552 37990 24771 29457 1_2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE PC 10:0/10:0 11535 41496 55586 7715 22655 21388 7298 20990 41424 94368 26022 9468 17694 26168 6229 61460 27382 9711 1_2-DIPALMITOYL-SN-GLYCEROL DG 16:0_16:0 50933 164046 9059 55135 55221 40817 11433 13913 138487 64670 74637 51924 82137 119211 164434 112875 433938 24350 199715 215813 568502 12-HYDROXY-DODECANOIC ACID 12-Hydroxy lauric acid 49089 47965 39988 48864 65946 26983 10813 25915 45445 38534 36470 43498 51201 [13C]-ARGININE Arginine 948437 706189 1157740 957440 1644877 983330 1268020 1597498 1305760 679237 743089 339231 987765 646156 636937 1013997 812333 1103722 895294 942209 1047589 1120945 1256339 802225 1361880 1043377 1174688 1205508 1014296 1526799 [13C]-ASPARTIC ACID Aspartic acid 272124 472051 349946 443678 353180 320182 335165 543711 376556 319725 593344 328792 405386 467022 918541 475140 393252 413112 324189 369609 407755 288273 565867 284818 409585 372251 387381 310839 324526 633950 [13C]-GLUTAMATE Glutamic acid 127363 324369 238196 337132 330129 266061 320468 392866 187131 122381 328260 86595 95306 162812 251321 75713 228704 254544 81155 181263 265347 209054 266311 158451 106625 183488 122354 196592 254362 121409 [13C]-LEUCINE Leucine 68243653 38916065 44751744 41522167 59958495 60802872 53548850 44614102 64593352 67674548 17887139 53973206 36881770 44770475 18334380 53033903 64975750 63884750 37755544 62885814 46346858 62859444 65865776 42663243 41601883 42179399 81746889 37912066 64195525 51547023 [13C]-LYSINE Lysine 53511 123855 69872 119900 123044 92769 92212 113525 86091 97997 116836 34633 70576 85438 123066 97296 98012 81115 52511 69600 91001 100945 104865 87894 85946 80763 88859 91094 104646 80449 [13C]-METHIONINE Methionine 2579597 3760897 1708776 4332749 4407581 4078314 2464342 4811048 2596211 2529305 4926264 3574340 1304732 3295882 5413971 1703244 4227642 2581330 1351248 3530296 2500827 3779654 4205087 3336927 1810088 2472054 2419175 2717985 2509039 2005739 [13C]-PHENYLALANINE Phenylalanine 39737739 35084644 30201170 33379336 29292950 39269474 32158302 45982890 40886011 39670392 45177033 39017066 28801862 36305115 44893585 33988125 38705937 48249055 31317468 38135179 44675547 29991970 37197737 32233525 38512861 33166385 37080847 32375721 45830437 31812831 [13C]-PROLINE Proline 319679 765957 506607 857167 770496 669557 616016 1012186 675209 580038 972677 401203 307239 668277 1366847 660848 820394 710862 290805 671963 260166 609305 965625 425909 413078 509383 592467 516728 615108 763039 [13C]-THREONINE Threonine 30241 59068 64193 58623 74464 71009 33120 72489 29643 28792 69728 24463 26661 42712 69815 64241 61651 64490 19374 52763 48852 59818 73493 41912 36752 48641 62126 59635 61048 24448 [13C]-TYROSINE Tyrosine 10473503 9955077 9096687 11519125 9773239 12384855 10744967 12085207 11182558 12227267 12998172 11839620 6568517 10969673 13080496 10537173 10018758 10276521 878928 10853918 8966067 10267188 12029303 10916521 8547830 8828342 13668229 9661187 10652044 9253117 [13C]-VALINE Valine 2224997 5224743 1873075 6166523 5088880 4832309 2410820 6466638 2753460 2802454 7146366 4098302 1791879 5092818 8944443 1934903 5604861 3871384 1794280 3775735 3038121 4274485 6674902 4572192 2393440 3259089 2463875 3482689 3989906 2602448 17ALPHA-HYDROXYPROGESTERONE 17alpha-Hydroxyprogesterone 175408 133474 193561 166793 53844 70630 37314 111071 49912 78243 1-METHYLADENOSINE 1-Methyladenosine 25196 30986 20458 45111 42246 22668 18276 16927 36295 35014 45001 32881 26302 37863 1-OLEOYL-RAC-GLYCEROL MG 18:1 976172 868120 1164171 254522 180775 1192787 1109947 753886 320928 1027987 519078 1082230 497730 839404 1091193 1099712 651800 1589674 1359124 1089823 366111 498893 207781 680412 444742 504178 607915 681265 446136 303221 2-AMINOPHENOL 2-Aminophenol 11406 15263 13044 6015 17768 5221 6430 20860 6000 7685 8630 11094 7317 8675 2`-DEOXYADENOSINE Deoxyadenosine 279749 72737 205352 239279 176310 106825 246478 334136 202708 160252 192841 254194 96464 75289 104668 144163 100518 85147 80151 107872 74744 69222 56362 103620 59203 86257 83357 70261 46548 2`-DEOXYADENOSINE 5`-DIPHOSPHATE dADP 8062 16957 7492 7646 9478 7224 6669 7344 16882 2`-DEOXYCYTIDINE Deoxycytidine 107956 184305 45564 58131 22172 75904 49144 87924 39864 20508 146907 121037 47806 26984 15935 65402 48853 18655 38329 43017 29027 77288 60113 76852 54639 105577 75491 56402 18758 29774 2`-DEOXYCYTIDINE 5`-DIPHOSPHATE dCDP 12127 7276 26872 12544 12546 18968 9846 9217 16207 10368 11417 22996 26899 18867 15032 2-DEOXY-D-GLUCOSE 2-Deoxy-glucose 15538 28457 9048 45626 7900 23869 47197 28737 7116 20970 9217 9633 5699 2`-DEOXYGUANOSINE Deoxyguanosine 16582778.5000 12433123.5000 2210015.5000 7242154.3333 598754.5000 6933803.3333 1276804 11221443 1442632.6667 1622926.5000 68756714 80419406.5000 5243207.3333 50289172 56401329 12223992.5000 81832674 10969712.5000 4830688 1270440 4198390.3333 29927434.5000 18867923 20719255 5361485 21567020.3333 3961968 35183668 3341447.3333 4747190.5000 2`-DEOXYGUANOSINE 5`-DIPHOSPHATE dGDP 258766 86163 153826 52057 134472 30175 55152 151925 27173 35128 95031 77425 71922 89685 131570 2`-DEOXYGUANOSINE 5`-MONOPHOSPHATE dGMP 343139 465949 14878 528282 330593 381115 320285 270857 204543 39518 71611 40308 82214 10910 33443 10098 14544 23524 8889 17740 13870 11816 2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID 2-Hydroxy-4-(methylthio)butanoic acid 27101 11555 16086 60161 18161 50173 46702 12608 9575 13715 20954 21312 11894 17042 20452 12901 28092 33877 2-HYDROXYPHENYLACETIC ACID 2-Hydroxyphenylacetic acid 65475 113523 14641 75509 24783 56350 10057 106920 25019 9578 30215 20208 12638 28721 6653 17421 12866 10880 8952 21431 20118 2-METHYLGLUTARIC ACID 2-Methylglutaric acid 9873 15204 7466 8281 7478 6960 14511 7745 14577 8882 8734 10345 5716 2-METHYLMALEATE Citraconic acid 10884 15237 18139 10295 14854 12317 8895 10181 14862 13975 3_3`-DITHIODIVALINE 3,3'-Dithiodivaline 452073 317752 242424 281020 272574 299434 317020 246205 224983 28757 218119 230311 20333 3_5-DIIODO-L-THYRONINE 3,5-Diiodothyronine 16197 6789 16744 12684 22029 16168 9742 7640 16100 19525 12850 9663 3`-CMP 3'-CMP 226192 227128 153726 341388 254944 280829 178927 206701 476251 452199 348342 401004 575303 388298 540617 354921 380625 64093 313242 275905 301066 373435 280646 324541 304312 398170 213251 3-HYDROXY-3-METHYLGLUTARATE 3-Hydroxymethylglutaric acid 15540 14117 15186 29918 13275 13604 15688 11840 16466 8162 11921 3-HYDROXYANTHRANILATE 3-Hydroxyanthranilic acid 125276 333745 117970 295688 71986 102629 134538 85812 162788 100144 576826 130212 179931 91040 472739 124417 331297 493141 129869 271755 228316 161377 101244 361208 200190 76630 192263 94157 179162 121454 3-METHYLADENINE 3-Methyladenine 7916 24187 14304 22562 24087 22049 20339 38192 31604 42107 3-UREIDOPROPIONIC ACID Ureidopropionic acid 70687 144627 61904 101396 78634 88145 55928 130577 78406 77486 180799 127036 45033 132473 202591 44243 119625 66054 46181 99548 55259 47018 110624 46311 43951 45457 69605 62796 66590 4-ACETAMIDOBUTANOATE 4-Acetamidobutanoic acid 19759.5000 82316 13572 19332 31690 55675 11858 9713 102783 52362.5000 53495 22062 74508 49301 51635.5000 39591 10832 59424.5000 59581 38528.5000 69245 4-AMINOBENZOATE p-Aminobenzoic acid 304793 752144 458756 35350 209331 294107 450225 62467 357206 298484 1131552 103504 815627 264508 915982 490678 936595 94164 768046 915653 1650154 893538 100421 879659 1421751 205630 1308327 159263 1325946 337784 4-AMINOBENZOYLGLUTAMIC ACID 4-Aminobenzoylglutamic acid 19924 10693 17984 13240 67941 8559 95321 121609 9926 35401 122826 79135 10048 16543 33121 91089 29763.5000 21128 71417 11626 4-GUANIDINOBUTANOIC ACID 4-Guanidinobutanoic acid 240726 346780 278366 336281 323716 262589 266175 404748 303645 274900 298467 180978 121051 221875 395402 156306 289445 117419 150465 200123 251227 200149 285704 141824 175544 156321 245005 131292 142245 277329 4-METHYL-2-OXOPENTANOATE Ketoleucine 54460 8817 63648 27923 47893 10063 31087 18142 7877 5226 5738 14356 5`-DEOXYADENOSINE 5'-Deoxyadenosine 279736 280193.5000 135982 346234 176308 106822 246473 417021 30790 102660.5000 1465618.5000 1627409 186518.5000 989945.5000 1158981 252428.5000 100527 232718.5000 108013 194576 69225 784480 157191 59206 142771.5000 83357 70249 103238 5-HYDROXYINDOLE-3-ACETIC ACID 5-Hydroxyindoleacetic acid 27313.5000 34220.5000 20739 35377.5000 14725.5000 29483 22962.5000 42074.5000 23326.5000 22481.5000 81766 44931.5000 36335 57371 55486.5000 27926.5000 39866.5000 48389.5000 27298 47975.5000 27617 20804.5000 30673.5000 27163 26361.5000 17765 26944 19525 26827.5000 17332.5000 5-HYDROXY-L-TRYPTOPHAN 5-Hydroxy-tryptophan 32462 56776 23260 83013 72889 36786 20418 28346 12219 28255 5`-METHYLTHIOADENOSINE 5'-Methylthioadenosine 2019952 807501 721815.5000 724626 659228.5000 713259.5000 1409935 910101.5000 1691702 725906 1249868.5000 1284392.5000 962631.5000 1084019.5000 1214953.5000 991538.5000 1160321 997459 945407 1006837.5000 794226.5000 463595.5000 596090.5000 578211.5000 634641.5000 508754 564259 1036120 642107.5000 1354416 5-OXO-PROLINE Pyroglutamic acid 5655344 6299322 2696096 6107221 3364482 4117886 2191825 6610646 3242326 2802363 10105664 10690339 3450506 10621442 12936204 3675563 5834070 4046854 4144475 9005824 4054662 4211363 8856781 5915413 3133818 8210786 3838548 6676392 3984320 5817672 6-PHOSPHOGLUCONIC ACID 6-Phosphogluconic acid 170958 350663 140506 399306.5000 485874 844524 164400.5000 357208 255637.5000 205268.5000 121966 63311.5000 63560.5000 86162 63500.5000 41096 96762.5000 67597 36357.5000 84378 76411 90513.5000 68180 40993.5000 49771 33647.5000 29919.5000 62175 94389 73889 ADENINE Adenine 977152 1734920 857979 2199832 1520545 1181631 929699 2808255 1173830 1106489 17987 29922 29579 13584 20282 15735 22101 9387 10271 24146 ADENOSINE Adenosine 15940981 11861867.5000 16006490.5000 10387829 13654454.5000 9875633.5000 25966215 10508179.5000 15564040.5000 10208654.5000 68020377.5000 79473968 54625822.5000 49759481.5000 55767994.5000 71559954.5000 81046787.5000 56425263.5000 55331157.5000 65603967 34398167.5000 29327199 27628751.5000 20097586 38483785 31777204 89948447 34514792 32708618 62430219 ADENOSINE 3`_5`-CYCLIC MONOPHOSPHATE 3',5' cyclic AMP 5136 8114 102872 175651 25600 36656 76454 230462 29476 51791 7556 5898 6229 36695 6351 7408 18708 12512 ADENOSINE 5`-DIPHOSPHATE ADP 21412 18329 10081 6697 6084 16352 12593 14974 5344 11074 19245 ADENOSINE 5`-MONOPHOSPHATE AMP 313783 667984 181858 533951 391133 546224 357263 295619 236864 541009 391646 373606 242173 ADENOSINE DIPHOSPHATE ADP 297388 793660 138503 493871 234292 126894 240143 717620 189638 310619 281198 159326 87205 266735 579349 70218 134474 114832 120061 139994 110823 143220 164035 104019 49137 102660 51087 95219 148073 95489 ADP-RIBOSE ADP-ribose 80187 277788 35805 239208 113201 177126 39340 146105 97471 106732 10076 11600 17015 ALANINE Alanine 14360 51560 35098 28851 24940 15204 8255 28173 33161 13418 26273 19765 21965 21243 36585 46692 32105 15131 8218 29575 27119 27150 28732 18531 10920 19350 17680 17730 15191 31572 ALLANTOIN Allantoin 18665 33784 25974 27246 23847 15554 20997 41616 6061 7029 50037 25518 29738 68453 25190 6040 40098 26963 33855 39225 26233 17400 32642 15814 22772 24258 25703 AMINOHYDROXYBENZOIC ACID Aminohydroxybenzoic acid 42042 82634 56573 45897 71446 36488 43809 75592 40823 98528 48770 26900 51346 52779 58910 74588 AMINOHYDROXYBUTANOIC ACID 36917 74640 45323 55801 62927 48424 41494 74519 39910 29198 91555 36684 43427 62283 94708 110011 98288 93284 36984 66517 40468 50346 93784 38885 66633 69041 36426 48523 52660 61805 ANDROSTERONE Androsterone 144943 115067 99658 143446 104841 170144 83862 151130 64499 138278 95281 161673 132608 64325 79649 65287 60069 112061 78255 146013 174527 132856 135212 154167 90786 136018 78336 73365 ANTHRANILATE 2-Aminobenzoic acid 104171 95707 92347 79037 62575 86592 70334 139386 39630 160113 81836 85723 58058 39317 44765 117009 38164 47393 39307 46765 86428 42755 34324 38685 215381 109226 72012 102924 ARGININE Arginine 5348339 4559403 5455584 2443568 5946884 3694298 4495549 4871854 6089132 4884301 3908103 3216351 5547054 4344830 4641983 5595848 3603186 5368888 5104705 6135337 6922824 5228578 9469345 3521424 7154136 6595835 6698166 5314512 5294586 11603579 ARG-VAL-TRP Arg-Val-Trp 4149269 2114264 1457524 2692368 3643076 5254789 1334659 4145456 1447463 1106020 1809491 902619 457291 2419962 1635248 1456304 1971528 549172 780783 1106506 670470 1271321 1142373 2236553 634101 1062502 344485 1706729 1474816 704160 ASCORBATE Vitamin C 6891 7955 14409 12700 17509 30063 17063 10108 9779 11868 ASPARAGINE Asparagine 27493 74581.5000 45063 59301.5000 65908 55770 62958.5000 76507.5000 92853 68170 78684 38813 108235 64307 117711.5000 131726 79900 97533.5000 70563.5000 86882.5000 87558.5000 56752.5000 103037 40279 74451 76418 113405.5000 46516 64643.5000 173622 ASPARTATE Aspartic acid 31618 68025 94112 42802 58906 43472 80496 53510 106912 78816 20524 30875 20853 57796 126819 32650 92291 59040 49703 37241 49688 20585 46288 31621 40242 27819 38277 64267 BENZOIN Benzoin 37002 32972 30660 20636 38664 20691 22011 43286 28403 BIOTIN Biotin 10095 103955 139410 24410 43076 24824 50701 31210 152689 134761 125686 105094 25317 33040 BIS(2-ETHYLHEXYL)PHTHALATE Bis(2-ethylhexyl)phthalate 8730243.6667 9872455 11882299.6667 6794773.6667 5041328.6667 13555736.6667 13642329 12980343.6667 5607682.3333 8519252 13840508.6667 13605214.6667 5022531 11776075.6667 17597990.3333 15955721.3333 3505855.3333 8425674 5921300.6667 3264802.6667 4235868.6667 9860028.3333 8571187.6667 12493590.3333 10212262.6667 12453670.3333 10632922.3333 11797116.6667 8363430 6515460 BOC-ALA (+NA) 7871417 6521318 7094795 2755097 5936965 8713507 467500 7860156 8091642 4297962 4013767 3185327 6744481 3386178 2369750 3589652 2308254 1201759 5187995 6384742 9803183 5380963 8576478 7651564 7402465 5761641 8297412 BOC-ALA-OH 7870294 6514078 7097078 2738861 5936776 8685730 7835843 8059938 4298098 4011541 3108098 6742239 3383706 2266150 3593329 2300989 1203962 5184704 6384862 9785541 5159268 8566340 7393617 7402564 5757725 8035808 BOC-ASN 24122610 27055900 21902484 24855694 20992600 27470924 23073149 32245698 23134149 22561996 25973143 21713600 18799583 27172261 25013033 16700475 23137436 19573664 16174191 18851405 19900500 22437165 27501637 21588620 21783814 24316426 22157213 23898946 25588699 23610320 BOC-ASP-OH 5446108 4748466 4273596 5251606 4719097 6187664 3228302 7173915 3614929 4688588 4919018 3886722 2727992 5103481 3326829 2409027 3449916 2842915 1188258 1115709 3546817 4458840 6669171 4492134 3433992 5739871 4519860 5152906 4143035 4775264 BOC-HIS-OH 7340 6328 19283 36893 7659 30972 16744 32238 8045 35181 8303 19349 7945 12094 10762 20117 6961 BOC-LYS-OH 8978 39429 28824 42851 35180 36460 26268 27916 18490 17763 23969 17322 7743 12512 18036 BOC-PHE-OH 12120068 17329829 10496874 19557497 12605301 15234088 12420886 20201168 9648154 11133754 9756721 10500624 5559648 11030809 8628760 5354591 10213012 6055505 2798405 8602355 4848219 8794814 14408966 10083873 5904176 13124068 6872847 11971959 3239026 6848152 CAFFEINE Caffeine 73370.5000 78362 47258.5000 76006 47256.5000 118152 24312 69319 73915 17593 57101.5000 50852 51646 46594 31081 53656 17917 46568 85720 43552 62719 43656 28707 CARNOSINE Carnosine 35103 12313 12425 19859 13691 41610 15172 25110 32747 11986 29518 14200 28467 16632 11644 54948 14218 17231 53881 23630 23701 41456 CITRAMALATE Citramalic acid 139915 38948 34396 33920 43402 68222 112355 66578 70283 71535 82620 159284 46478 54597 74350 36187 76824 78473 48655 CITRATE Citric acid 1034359 1015189.5000 692563.5000 1003471.5000 816598.5000 890158 555377 1014161.5000 951452 727574.5000 923625 845840 433635.5000 1144673.5000 1509875.5000 430429 689047.5000 466543 614706.5000 996567 463861.5000 389821.5000 673540.5000 434477 320525 695333.5000 484427.5000 483935 478183.5000 762891 CORTICOSTERONE Corticosterone 140905 93363 107124 45947 102433 93265 39098 145517 83601 67280 79878 69003 41594 117468 81686 95481 29839 68954 97583 75824 CORTISOL 21-ACETATE Cortisol 21-acetate 65756.5000 57576 31062 61079 79714 64257.5000 56165.5000 83214.5000 71064 41200.5000 21532 39324 40329 28669 43788 41969 20275 37136 58483 27657 30510 74648 30889.5000 54611 42333 69629 89033 CORTISONE Cortisone 197292 145838 124834 197222 219172 122119 140251 115077 119231 100077 55491 75376 95770 44405 111543 204183 139544 128634 198571 122192 76373 215415 CREATINE Creatine 486618 866990 391121 765394 844027 668589 354486 867440 274152 260629 936392 443771 312958 749342 1334569 380238 883402 688268 364666 784480 730771 618853 888457 373918 310328 577037 482576 514885 673904 449106 CREATININE Creatinine 159107 185348 85514 183276 209281 162884 41159 230994 67289 124618 209782 132804 78989 220142 266562 83782 222919 172869 93736 185637 200167 166749 252509 96803 63387 248830 119055 134668 168680 163916 CREATININE FROM COMPLEX Creatinine 23045 31142 13374 20633 31893 31496 21074 41475 8703 22497 17551 20420 26058 15148 14091 17818 40744 27591 37221 50890 28772 31853 65112 CYSTEIC ACID Cysteic acid 72705 38222 68839 77581 60449 39001 85775 79179 59474 83163 70284 48691 47076 CYSTEINE Cysteine 6422 22087 22131 5031 5705 18589 13187 6122 11669 14240 13220 CYSTINE Cystine 79034 75409 74918 64409 72656 51651.5000 56508 82055.5000 97485.5000 49680 51528.5000 103068 117188 119028 137993 118301 55618 121590 134028 93835.5000 253281 136087 292964 118108 222410 283881 253178 163841 138041 369914 CYTIDINE Cytidine 128475 265822 72867 126898 131368 112403 61340 172128 118124 63922 215305 165903 76348 394168 312154 76900 204236 140650 82127 269420 83964 128294 208009 119530 64819 133093 87473 175583 74076 96364 CYTIDINE 2`_3`-CYCLIC MONOPHOSPHATE (CCMP) 2',3' cyclic CMP 105178 48161 52342 59459 62882 73629 44123 82395 74724 50127 118352 123485 22751 116414 74161 189694 78834 88116 167332 107648 139522 160607 88257 122745 230710 143401 174296 84443 167296 CYTIDINE 5`-DIPHOSPHATE CDP 41629 47193 20140 29739 8357 24273 17917 32021 56560 35176 8856 23370 17660 10236 11073 13108 CYTIDINE 5`-DIPHOSPHOCHOLINE CDP-choline 29711 33733 16606 75145 56794 91681 81091 43333.5000 33231 141579 75961.5000 47825 34575 40157.5000 102657 52830 71172 49326 16178 34538.5000 32179 46259.5000 41983.5000 58519 24637 21044 44302 43984.5000 14275.5000 CYTIDINE 5`-MONOPHOSPHATE CMP 248255 260972 128741 195540.5000 138428 101413.5000 89761.2500 202100.2500 147182.3333 129190.3333 247681 271109.6667 233893.3333 275523 256876 210692 287556.3333 161540.7500 247584.3333 237929.5000 208168.5000 115193.3333 241502 109729.2500 136942 237166 222042 130247.7500 264666 231505.6667 CYTOSINE Cytosine 17360 17768 22305 18689 16010 22596 35077 33697 23318 8626 DEOXYCHOLATE Deoxycholic acid 6424127.5000 7421155 1034446 913543 7558519.5000 4468636 4696507 7437561.5000 7023899 8110069.5000 17528944.5000 1556860 5564751.5000 6682946 9715977.5000 6774081 8489029.5000 6506009.5000 5309016.5000 1325403 4663466 8051526.5000 10864667 7660356 9350153.5000 7284770.5000 1998359 11087964.5000 6283064 10760777.5000 DEOXYCORTICOSTERONE Deoxy-corticosterone 25413 50389 213018 34978 154178 23640 36673 146743 82322 11747 94997 25667 22601.5000 44930.5000 146824 DEOXYRIBOSE Deoxyribose 14106 13394 5620 14324 8471 9248 7156 13817 14418 9493 6503 DETHIOBIOTIN Dethiobiotin 285325.5000 113103 436438 193129.5000 266020.5000 269110 138036 281272 178955 243205 256036.5000 429846 376082 446049 204050.5000 220603.5000 237558.5000 238851 160726 105447.5000 436214 254186.5000 298966.5000 208097 81756.5000 451932 66912 219721.5000 253911.5000 518811 DGTP dGTP 14338 20465 29292 30738 18719 25305 29451 24358 89908 16583 20961 47119 29754 45346 20756 56812 14706 18825 21972 17139 15200 19120 11409 11906 10914 DIACYL-GLYCEROPHOSPHOCHOLINE (C50H82NO8P PROBABLY) 366637 110996 729180 119727 1056298 157390 574365 449168 476865 101600 605197 3645157 160070 268909 215254 292963 552823 178978 DIACYL-PHOSPHATIDYLCHOLINE 449180 27479656 3327044 6789237 1533049 825920 1241431 7511107 1190545 3904756 916761 834568 1518928 2362424 2890876 4637041 7288757 1032220 4532855 1115876 DIHEXOSE 3604061 6098895 2663543 5235545 2799158 3370553 1947738 6455180 3225419 2624623 5091885 4054309 2181390 4988021 6962899 2123718 3176722 2954987 2460667 3852669 3540661 2505515 6285660 3297983 2227613 4832302 2730128 3940727 2767446 3039310 DIHYDROFOLATE Dihydrofolic acid 25543 28074 32609 27852 20462 13226 28828 9958 13100 12293 12533 14646 42124 DIHYDROOROTATE 4,5-Dihydroorotic acid 12724 13375.5000 16899.5000 24948.5000 17452.5000 22312 43151 30914 31779.5000 10142 26249 21172 16289 17822.5000 7575 14429 20084 15028 7407 DIHYDROXYACETONE PHOSPHATE Dihydroxyacetone phosphate 9622 98417 8386 35226 20549 44771 15337 46199 33878 59596 52626 194211 43632 41951 229726 172631 203243 162631 82618 139369 141640 15841 23879 105774 13829 38483 212853 48910 DI-LINOLEOYL-3-SN-PHOSPHATIDYLCHOLINE (POSSIBLY) 19008713 48826692 6120160 38702865 69103567 34888457 7029829 39910456 63272059 6341206 105543080 29872978 53979575 40624012 73745035 5290736 18444584 23327764 20057125 57672097 13144070 18462428 64763987 35848895 28330455 60704458 2710316 36471956 50008822 21945797 DIMETHYLBENZIMIDAZOLE Dimethylbenzimidazole 29654 23869 10089 24649.5000 31228 43033 32409 6663 26649 28965 16850 28373 18033.5000 25932 30754.5000 17675.5000 16748 34684 18847 23181.5000 6806 18468 48996 28885 14707 34524 DIMETHYLXANTHINE 84131 114379 17095 41759 37630 61378 44654 32615 48031 52946 59629 20696 30829 39599 95243 DIOLEOYLPHOSPHATIDYLCHOLINE PC 18:1/18:1 28083192 29648813 9466222 69669695 52882732 36802449 9759378 27431838 29708354 103231828 37871027 16238028 49623327 66135484 13069034 17055369 13235436 18889953 34456052 10540953 13025446 70473290 55986350 15180321 58899875 6606116 45530005 37653946 8101959 DOCOSAHEXAENOIC ACID Docosahexaenoic acid 252142 391587 405304 170443.5000 167186.5000 435005 67980.5000 431941.5000 185822 721020 207554 45798 148137 39041.5000 245248 179912 69151 105514 294285 29374 145612 185552.5000 449257 111807 231381 239103 183848 136593 EDTA Edetic acid 238961 28247 291294 36137 46969 46235 376621 31572 36986 79896 41245 47360 15808 161648 50481 64451 36912 23851 53343 42758 32573 48255 56944 24881 35778 57711 ENKEPHALINE_ (D-ALA)2-LEU 228020 220992 200970 221300 243427 219349 154244 208754 212724 106544 131270 219020 215223 200664 212492 229543 243184 260528 ERYTHRITOL Erythritol 80198 50779 33235 43463 46214 31911 36945 61960 61540 31869 71801 30770 23187 38871 84420 66259 44873 33145 18890 111236 98118 191900 42558 57887 146205 50210 73061 161077 ESTRADIOL 17 ALPHA Estradiol-17alpha 44498 19304 156310 60450 75795 17937 60563 26532 38321 36088 17221 24675 29933 63181 30414 ETHYL 4-OXOCYCLOHEXANECARBOXYLATE Ethyl 4-oxocyclohexanecarboxylate 66208 76196 89077.5000 66383.5000 58905.5000 71840.5000 75841.5000 127744 17249 105919 94109.5000 92824.5000 70728.5000 86971 75630.5000 59477.5000 63617 107261.5000 48401 85339 102266 48995.5000 79286.5000 44656 80399 85855.5000 90521 127707 91747.5000 95323 FLAVIN ADENINE DINUCLEOTIDE FAD 81731 46980 47147 141412 51338 78371 101646 168160 25396 FOLIC ACID Folic acid 648458 552481 432149 435325 431363 417881 392623 579034 470422 345210 384517 395052 278879 498459 456805 250307 394298 294371 333080 422125 435115 338361 473988 363807 319540 465319 407934 382803 350482 555766 FORMYL-L-METHIONINE N-Formylmethionine 425768 388866 351922 310332 262093 375448 301783 416829 324579 531224 492357 283923 444858 388532 381765 333411 246439 414393 453099 375427 290381 390705 540169 FRUCTOSE 1_6-BIPHOSPHATE Fructose 1,6-bisphosphate 58586 170728 30755 77961 24812 174685.5000 101074 11477 469764.5000 15993 185492 546462 963853 114742 427120.5000 160318.5000 307629 276660.5000 144387.5000 237523.5000 242243.5000 27809 111381 261191 80628.5000 76747 224608.5000 GDP-GLUCOSE GDP-glucose 30506 29244 25549 19226 42007 14311 25080 9799 24103 24883 9973 17531 7202 12654 9569 13029 8837 GLUCOSAMINE 6-PHOSPHATE Glucosamine 6-phosphate 9037 25682 21815 31569 17576 23940 25416 21364 39417 47027 7215 8574 21346 33004 10940 27314 33729 20955 11522 9805 9541 GLUCOSAMINE 6-SULFATE Glucosamine 6-sulfate 17423 31945 21756 23904 34617 28022 28880 39495 5751 53003 7378 25063 8574 29993 7104 21355 15382 9541 GLUTAMIC ACID Glutamic acid 712104 1683659 988912 1784358 1281656 1233560 631735 1971580 518711 490612 2144515 995399 738486 1574302 4119436 1015577 1885518 2058793 695658 1703912 1957303 1266206 2605599 963409 723889 1136949 748725 1019514 1615241 682487 GLUTAMINE Glutamine 388989 529719.5000 509457 460222 610729 484110.5000 509976.5000 629666.5000 645670 306969 410547.5000 190892 238954.5000 347941.5000 554878 569305 397780 434476.5000 223971.5000 507499.5000 505425 434198.5000 514769.5000 279338.5000 608364 557211.5000 596780.5000 344899 481245 1001721 GLUTATHIONE Glutathione 21751920.3333 23680363.3333 41247305 29056375.3333 30691955.3333 25370608.3333 56193175 24132315 56267891 60976364 90792598 86908465.6667 50679999.6667 83180884 100602400.6667 90131867 69862528.3333 65721477 57022021.3333 259599993 122483336 61343160 141589982 58781788.3333 107018319 120902424 103337571 50625381.6667 43431090 88420130 GLYCERIC ACID Glyceric acid 9450 8273 17841 11401 10258 14065 11304 6804 11954 GLYCEROL PHOSPHATE sn-Glycero-3-phosphate 8745 36269 94851 28778 121877 130200 15719 11150 142673 79421 300153 50107 163684 GLYCINE Glycine 17439 10215 19872 22973 14050 17704 21093 15425 15406 21025 15066 25597 47085 28571 17348 19554 21004 39530 25083 27319 21163 34888 28435 31664 20562 32433 36795 GLYCOLITHOCHOLIC ACID ETHYL ESTER 23651 15473 29692 15013 12056 18484 20491 10551 10188 12881 19323 11523 10906 19734 GUANINE Guanine 503680 935047 364817 924645 572691 689818 530224 1436116 508567 515655 2220918 1492434 346684 787888 1855834 521336 1302713 111445 281337 681234 909374 591031 1307913 837939 668379 537512 585884 674491 652922 464921 GUANOSINE Guanosine 2814419 3273576 3467020 2567043 2643736 2293453 2942589 3109938 3197321 2382676 4047019 4556486 2779110 2417045 3027636 3965487 3264259 3458082 3124389 2887358 6050514 2924837 3577475 2863447 5053517 3167472 4096440 3248988 3664774 3106884 GUANOSINE 5`-DIPHOSPHATE GDP 20928 134078 21234 193193 40949 33718 33029 36982 48952 34096 42903 30083 69132 63518 39332 96935 GUANOSINE 5` MONOPHOSPHATE GMP 56092 159377 8591 117685 31243 87890 63576 14017 17765 30597 13390 11955 14747 6553 7352 7249 9223 HEXITOL Sorbitol 292145 336435 289430 244461 235582 215713 215813 322230 211722 247635 404210 315546 380634 416181 547889 418346 376926 454812 435592 522348 574374 359273 621014 323000 593080 542334 596344 409115 457242 865772 HEXOSE Hexose 6058764 4850052 5037853 4363233 4867279 3220870 3619322 6142686 5787423 3921558 6316712 5935922 6922227 8074369 8683215 7422846 6639529 6790413 6515574 9335184 12669002 7750943 16982031 6901632 13085791 15886054 14482798 9057442 9145555 21727183 HIPPURATE Hippuric acid 100187.5000 110995 71809.5000 88206.5000 40011.5000 92108.5000 28979 146194 71870 47140.5000 189746 160181 86885.5000 199360 199919 77597.5000 83021 59902 48992 102953 126465.5000 45375 202973.5000 115760.5000 188298.5000 153794 129208 157109 69338 141666.5000 HISTIDINE Histidine 24461 52657 60671 43660 46260 32636 75258 65734 38406 71828 20359 23875 43218 90593 120976 43350 73279 44718 49622 70663 36650 95445 33752 83580 43875 93039 43334 44515 88880 HOMOCYSTEINE Homocysteine 50330 48040 37288 47869 31936 60271 42726 42016 26486 44442 66422 13526 84107 25905 83221 8407 HOMOCYSTINE Homocystine 135225 6541 22887 21637 12844 12192 7033 10833 6908 10074 12600 6304 5877 6839 HOMOSERINE Homoserine 25524 42149 24345 28974 35393 30887 29896 39985 24358 21331 41617 21524 40618 35387 56143 46474 36849 29858 33448 38310 43542 12002 53400 17886 44334 40268 45557 29555 30663 75869 HYDROXYPHENYLACETIC / MANDELIC ACID 2-Hydroxyphenylacetic acid 382251 396520 52650 76446 44782 441987 255950 452233 309580 319457 136846 125805 54364 103980 88590 12509 72398 25159 92979 80518 34380 128422 71098 120429 HYPOTAURINE Hypotaurine 6186 13954 12846 12785 9768 12613 19692 13042 8177 21032 30599 17398 11593 10179 7030 8774 15630 12218 HYPOXANTHINE Hypoxanthine 872662 1980454 1499911 1602155 993423.5000 2041758.5000 1308027 2624401.5000 989099.5000 1544158.5000 5237801.5000 2832040 996620 1821707.5000 4108145.5000 1471852.5000 1656403 851961.5000 549296.5000 1591178.5000 3342665 2016655 4076695 2654735.5000 2461594 1090020 1867981.5000 1455916.5000 1799881.5000 2297053 INDOLE-3-ACETIC ACID Indoleacetic acid 100767 11345 120998 154743 298628 70487 224808 126894 298011 242269 180072 167912 INDOXYL Indoxyl 156784 237742 165503 185543 135216 223978 157220 338352 153536 175302 289019 193707 147935 273350 272956 133632 197167 176769 110002 146196 164262 146478 252843 133759 238473 171991 174569 196644 223236 188106 INOSINE Inosine 1488501 946191 1546589.5000 942085 1053763.6667 1139458.6667 1614561.6667 1640865.5000 1492578 1201603 2887854.5000 2535512.5000 2460124 1414570.5000 2224962 3394666.5000 2424616 2273156 2150569.5000 1973719 8730924 3234652.6667 4793151 3391858.6667 7509978 2454345 4735098.6667 2907212 5091661.3333 3660573.6667 INOSINE 5`-DIPHOSPHATE IDP 62639 17234 59483 109362 77371 46198 31643 20742 14457 13942 30529 ISOCITRIC ACID Isocitric acid 32842 118549 8465 37526 73183 162505 105972 65661 45526 46950 KYNURENINE Kynurenine 200424 169928 94302 133987 119010 180647 90835 203566 100464 110776 168482 155056 92426 149212 203931 92779 133534 144653 102475 189399 135205 95408 144347 84875 97001 139720 97454 122889 104430 123253 LEUCINE Leucine 95062383 38291905 38075159 31585383 39022296 63855825 41796704 41879998 62542759 40497858 35731923 76107155 41465435 53924486 43088535 52298167 72459180 54207124 53336522 81485242 64917546 60531327 65253998 36665066 53001783 49863287 115974881 38277190 77854461 98846895 LUMICHROME Lumichrome 40066.5000 29287.5000 6602 40411.5000 53157 42046.5000 27462 45140.5000 30779.5000 39218.5000 6363 11048 10401 LYSINE Lysine 94498 149627 104701 128613 139468 118437 95790 169507 112883 105077 184669 91023 111076 140045 230345 134601 161186 120037 79471 130794 194145 116565 193074 105665 140797 135792 155999 148348 129846 199258 MALATE Malic acid 131529 569635 115359 569190 279871 399628 143445 721330 199991 155261 1019544 623151 202817 722982 1446492 186899 488655 251159 179348 539539 231093 158648 590820 344321 146215 272325 124380 293879 163182 152752 MANNOSE-6-PHOSPHATE Mannose 6-phosphate 15038 31776 12151 20151 10420 6700 33459 23146 8264 23331 5909 14138 13594 14130 20677 10476 MELATONIN Melatonin 574840 408370 379094 348593 357176 411114 274929 530358 362283 336534 413885 449442 300505 526646 392394 296034 338939 289632 214610 267116 386220 309182 561768 327884 342095 568750 396646 394516 338758 604021 METHIONINE Methionine 4079735 4813203 2103305 4554197 4339897 4044427 2269689 6123474 3186018 2509728 7271640 6138469 1946843 5960012 9492811 2477600 6773221 3732198 2010351 6588219 4235326 4236260 7488301 3781503 2587174 4400581 3546123 3624033 3245901 4419497 METHYL BETA-D-GALACTOSIDE Methyl beta-D-galactoside 90449 75369 74172 60842 70696 63167 78101 82464 78761 60860 84159 69176 75646 77651 98900 105919 96307 81987 87537 85305 102063 65359 88255 51625 81159 80106 87672 58700 64118 114733 METHYL JASMONATE Methyl jasmonate 40717.5000 15640 38363 25977 42668 19865.5000 49941.5000 13573 10209.5000 9400 16522.5000 8776 9388 13815 20221.5000 18448 12079 12784 16829.5000 9686 METHYL PARABEN Methylparaben 381721 315208 300851 241766 275710 441980 255950 450973 310542 261610 144863 125798 54301 103886 88584 78592 85428 72480 52162 67106 25172 92983 80594 28029 128422 23998 71200 67708 116413 MONO-ETHYL MALONATE Monoethyl malonic acid 8879 16344 9024 11637 15319 8824 15055 12095 13511 N6-(DELTA2-ISOPENTENYL)-ADENINE N6-Isopentenyladenine 35060 20957 16593 15474 17542 16173.5000 35680 31515 32018 16989 15181 34870 42737.5000 28097 20493 16423 40189.5000 17365 24341 33622.5000 20343 21127 27549 13965 18498 41882 N-ACETYL-D-HEXOSAMINE N-Acetylhexosamine 20998 30701 13716 27050 34763 25500 20095 20099 13133 17346 16577.5000 15996 12741 28284 18868 17804 11379.5000 24672.5000 9755 18269.5000 17605 7477 14660 9846 9942 9509.5000 5755 N-ACETYL-DL-GLUTAMIC ACID N-Acetylglutamic acid 262196 400128 135150 409134.5000 232682.5000 266505 158780 421647.5000 191149.5000 196419 529402.5000 383075.5000 99038.5000 372793.5000 649806 158311 243262 220378.5000 139142 274212 264181 302445 418622 452982.5000 223839 296902.5000 249917.5000 415606 320995.5000 253582.5000 N-ACETYL-DL-METHIONINE N-Acetylmethionine 20595 31174 17340 29446.5000 12565 21617.5000 16066 41989 26024 11152.5000 64854.5000 46070.5000 40999 56101 56446 44525 41171.5000 88592 28052.5000 75217.5000 21756.5000 16630 38170.5000 27156.5000 20724 17815.5000 19614.5000 19546.5000 21374.5000 10972.5000 N-ACETYL-L-ALANINE N-Acetylalanine 32198 40590 17192 22946 39377 17219 44839 10135 27335 19072 19916 30579 N-ACETYL-L-ASPARTIC ACID N-Acetylaspartic acid 186108.5000 233608 152745.5000 233321 134422 217600 227236 261985.5000 195593.5000 182079 245046.5000 206086 89207 183444.5000 282940.5000 137631 254931.5000 191734 153199.5000 244020 172607 79608.5000 160057.5000 129974.5000 87170 104115 102330 123801.5000 108451 132932 N-ACETYL-L-LEUCINE N-Acetylleucine 87356 54476 77982 42693 50609 42765 15011 63722 48072 18271 48721 65767 12342 50045 34629 24050 9947 44684 6603 36095 38292 22641 39366 42203 32591 40660 63823 52351 43056 58272 N-ACETYLNEURAMINATE N-Acetylneuraminic acid 81349 124357 130771 140361 107134 49967 170811 45310 50891 136329 153989 99562 228239 65453 124439 60970 48244 173629 78816 249742 160477 66435 245158 83832 345515 115700 140131 N-ACETYLPUTRESCINE N-Acetylputrescine 37715 100331 39522 88823 79430 72612 46603 85030 60563 41304 116396 54666 41135 111378 215505 45747 121408 85795 43083 116070 168987 179282 249052 110192 141216 142567 149427 146006 188618 215018 N-ACETYLSEROTONIN N-Acetylserotonin 121017.5000 217105 150832 112682 119861 177396 115743 231631 150498 125856 155898.5000 217398 185861 250230 156910 95694.5000 265056 144202 217319 201785 160797 88897.5000 244069 147956 122636 132518 102680.5000 204515 107030 246964 N-CYCLOHEXYLFORMAMIDE N-Cyclohexylformamide 57522 51765 48403 39269 24676 49521.5000 31532.5000 72899 39834 12021 50548.5000 38151.5000 25657.5000 67450.5000 40286 22164.5000 31100 36024 15189 10000 24408.5000 22040 34221 34245 51115.5000 44032.5000 51427.5000 55495.5000 52443 42615.5000 N-CYCLOHEXYLSULFAMIC ACID Cyclamic acid 122663 140496 105479 110656 45322 124259 52529 169945 99811 61929 171281 163432 81001 196896 188930 62284 86265 68207 55971 154358 106901 43900 192690 104616 98646 175866 105116 171188 69591 140840 NICOTINAMIDE Niacinamide 554322 1011472 371893 1164670 752930 1311487 787881 1304736 584377 956391 1523657 1156881 632012 1605950 670281 859312 726050 408197 842934 540544 392422 317671 499895 NICOTINAMIDE ADENINE DINUCLEOTIDE NAD+ 11069252.5000 14346202.5000 6548153.5000 14722181.5000 10727561 11517553.5000 8301416.5000 12037353.5000 9603550 8491772.5000 15167627.5000 15397914.5000 9989594 11648986 17778829 10380588 13379524.5000 12840644 13307204 12563183 6126422.5000 6824450.5000 6071799 8039322.5000 4951040.5000 5326097 4680119.5000 6919641 7410389.5000 4329532 NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE NADP+ 140272 245274.5000 36800.5000 258386 38783 76867 72736.5000 256362 72056 154852 197348 54046 87587.5000 78097 400419 64937 182134.5000 73543 170732 26787 110006 87007.5000 63995 16325 30186 42917.5000 55445.5000 88478 70265.5000 32439 NICOTINAMIDE HYPOXANTHINE DINUCLEOTIDE Nicotinamide purin-6-ol-dinucleotide 563053 7284838 7508229 536255 5492164 353411 6311049 9340951 8851300 6970998 10073378 922200 6462204 2188575 399662 3090941 4100684 2722220 3528141 447284 2245407 NICOTINAMIDE MONONUCLEOTIDE Nicotinamide ribotide 73071 146868 91214.5000 133297.5000 120600 54113 36936 190465.5000 120903 100800 276216 165786 76246 122464 237243.5000 107368 47060 171146.5000 13973 63428 121042 13626 30544.5000 31761 105152.5000 44524.5000 NICOTINIC ACID ADENINE DINUCLEOTIDE PHOSPHATE NAADP 3076822.5000 4169503.5000 1773777.5000 3850406 2995552.5000 3273103 2242104 3620210.5000 2640085.5000 2439232 4676038.5000 4458276.5000 2763217 3555232 5003679.5000 2820119 3864921.5000 3561002 3686716.5000 2582591.5000 1716187.5000 1889354.5000 1749248 2307698 1369110.5000 1537262.5000 1249580 1997418 2044208 1181187.5000 N_N_N-TRIMETHYLLYSINE N-6-Trimethyllysine 28048 37679 54563 43713 20657 35038 41102 70783 59792 46874 48388 35778 31447 33079 37740 35700 56176 38250 37154 69561 34487 45764 57962 66803 75497 77790 59925 152204 N(PAI)-METHYL-L-HISTIDINE 3-Methylhistidine 10728 11395 11835 6052 5393 21009 12832 8821 9511 10103 O-ACETYL-L-CARNITINE CAR 2:0 7221172 8158245 7119065.5000 8258342.5000 8887529 7745479 8122316.5000 8460325.5000 8106005 8163178 8276621.5000 7216096 6571012 7712830.5000 10764150.5000 5984298 8003655 1062693.5000 6787265.5000 7250674.5000 8420077.5000 8009605 7516592 6144460.5000 7384702 5030895 7698812 5759659 9017187.5000 8288382.5000 O-PHOSPHO-DL-SERINE DL-O-Phosphoserine 23467.5000 79594.5000 43372 81237 100689.5000 111453 112986.5000 85921 144966 97873 246644 133643 148727.5000 108444 158237.5000 339647 231954 246585 145083.5000 109252 108051.5000 97376 91541 37789 81152.5000 49616 120384 65644.5000 76081 61086 O-PHOSPHONOHEXOPYRANOSE 136726 104005.5000 228383.5000 160547.5000 249382.5000 92499 298693 148043 268188 317326 195524 146738.5000 275370 92674 100764 343220 180856 259288 219127 88453 307089 167690 69958 168100 420959 57246 362056 137322 220604 30537 OPHTHALMIC ACID Ophthalmic acid 54915 214749 114108 211155 206769 181919 152230 219075 156763 176855 31167 8376 50069 41938 14808 12296 9235 9009 24004 18012 21884 49287 11943 34048 45666 ORNITHINE Ornithine 11839 47797 19163 26357 30421 36516 18394 38515 21900 17336 37157 10897 13125 20396 40580 12632 17025 16400 15761 30104 22513 35922 17130 16936 24961 26310 25933 18241 34882 OROTIDINE 5`-MONOPHOSPHATE Orotidylic acid 13110 8545 14171 14463 23024 28096 34921 52056 62529 41460 16384 43850 13448 29554 20449 22917 36270 PANTOTHENIC ACID Pantothenic acid 1220679 1023888.5000 905816.5000 1018326.5000 929845 1050647.5000 1010790.5000 1297433 1172759.5000 1079912.5000 1883366.5000 1773118 1339475.5000 1765128.5000 2100689.5000 1393922.5000 1677491 1766630.5000 1514454.5000 1548132.5000 1398226.5000 998111 1196208 1103227 1268507.5000 1024121 1177181.5000 1028054.5000 1348027.5000 1184350 PENTITOL Arabitol 72205 103337 75660 90042 93026 79617 94601 116317 58657 60319 90156 37394 39424 60232 109754 88111 66447 103954 43519 89071 87010 79023 103573 65634 105456 90680 104340 78798 88190 134894 PENTOPYRANOSE Pentopyranose 38024 14073 53203 56750 34648 46873 83799 52901 43272 23015 28702 18449 23679 PHENYLACETIC ACID Phenylacetic acid 11203 8798 6942 10116.5000 15211 9693 19705 14700 18562 7082 13069.5000 11655 9314 13537 19260 14913 12144 7014 15908 12763 13175 PHENYLALANINE Phenylalanine 19976318.5000 15276439 12040381 11355331.5000 9213164 13264919 9553486 18936982.5000 15874984.5000 12575219 20102298 20849949 13707220.5000 18184489 22789320 13262828 18107836.5000 20358670 14287772 21054768.5000 22489589 10036736 18996391 11517440 16479813.5000 17324426.5000 16681478 13030707.5000 18073663.5000 19482969 PHOSPHATE Phosphoric acid 102666.5000 119528 147687.5000 77461.5000 211929.5000 166789.5000 305742.5000 149486 219626.5000 174912 237699.5000 167225 67908 165888 218357.5000 258982.5000 374930.5000 310700 63754 241191.5000 466448 293716 235881 161961.5000 485389 147222 345633 164220.5000 393459.5000 315445 PHOSPHOCHOLINE Choline phosphate 1038255 1665833 1509001 3599035 2176264.5000 1658883 1997738.5000 1901652.5000 3824057 1938225 2676912 2932432 955569.5000 4220175 6046852 3157681 2705039 2726196.5000 1006116 4582669 2782839.5000 2795104 2536778.5000 1926388.5000 3102638.5000 3735173 2889521.5000 2151645.5000 3106675 2777525.5000 PHOSPHOCREATINE Phosphocreatine 112864.5000 138922 97151.5000 134898.5000 115006 112507.5000 27555 156655 76500 83961.5000 142458 96355 163434 160218.5000 137213 176320 169308 121409 173499 138705 55592 90093.5000 48387 44093 18639 33497 77780 60126 87214.5000 15301 PHOSPHO(ENOL)PYRUVIC ACID Phosphoenolpyruvic acid 36359 57649 33165 62640 69544.5000 46018 17355 55210.5000 50929.5000 48190 50825.5000 28867 9704.5000 52814 101663 109797 12773 9395 46793 47911.5000 39191 117619 22678 28613 22072 23137 30637 45431 24667 PHOSPHOGLYCERIC ACID Phosphoglyceric acid 23463 105711 13540 53383 73440 223644 278785 91449 124855 212245 131884 66832 55298 290349 89049 22671 61848 95494 52805 PHTHALATE Phthalic acid 5523 14405 22258 7246 18165 11281 25879 5224 10925 14621 11648 16796 22865 8833 13015 10902 11065 8367 16550 16294 17123 9383 PIPECOLIC ACID Pipecolic acid 26223 45644 38102 23637 32351 43611 43547 60114 38109 30288 82615 20699 24968 29093 51871 32705 40013 50438 24042 54828 22982 19870 64902 43293 POSSIBLE L-LEUCYL-L-LEUCINE 20444 17481 7779 7649 25885 15355 10494 22953 5843 17258 12687 5662 7567 9555 10996 PREGNENOLONE Pregnenolone 39807 219744 161683 201463 400904 95596 131062 174447 82054 223909 119970 202301 177172 215122 123627 88799 173193 PROGESTERONE Progesterone 54644 121463 123484 119692 40201 68158 80731 68487 79006 106220 56361 PROLINE Proline 1084317 2576307 1041290 2228887 1990469 1852771 1597145 2787783 1923845 1103444 4494017 1838084 1366726 2933365 6647213 2755491 3142952 2835483 1203292 2725263 1155406 1746792 3175437 1422295 2231023 1910629 1996441 1635599 2139567 3201397 PTERIN Pterin 6795 32174 7288 11550 16252 21689 10776 8424 16875 10369 11219 22235 10634 16255 10881 PYRIDOXAL Pyridoxal 70639 118965 55488 108290 83693 80632 49115 141600 57178 55591 75020 61528 22081 56662 117645 45986 83479 59862 49909 72445 41637 38247 33956 30871 28860 26583 25374 32764 33569 35407 PYRIDOXAL 5`-PHOSPHATE Pyridoxal 5'-phosphate 57714 43401 11766 53325 39686 6678 60131 72348 42648 52776 149135 115504 6988 74371 132998 69662 86374 61647 16152 79489 40394 47761 47425 48104 52810 28885 8631 43493 40764 28784 PYRIDOXAMINE Pyridoxamine 26824 38804 27354 33581 33351 26946 31304 47098 24046 21396 40396 24498 26078 33846 51663 32135 31852 26232 19834 27413 61267 29806 53114 35862 28721 41749 48788 31622 34073 48001 PYRIDOXINE Pyridoxine 2821823 2629809 1796644 2423305 2454395 2201942 1419376 2825257 2306754 1960939 2977168 3151493 1547152 4094425 5045071 2288706 3300155 2460177 2080908 4475438 2271396 2259049 3754706 1975062 2088217 2906632 3371337 2245610 2704139 4303210 RAFFINOSE Raffinose 4382055 3218873 3175634 2866335 2161663 2420952 1971643 3413012 3427179 1536586 3113979 5541678 3330186 7294435 9150916 2784196 3404963 1981383 3993744 5568017 4397219 3459354 4300448 4062212 3408189 5591711 3151214 2966885 3757786 2417933 RIBOFLAVIN Riboflavin 79996 71023 84016 148440 115972 37000 56077 132668 182221 96302 125142 54269 101962 RIBOSE 5-PHOSPHATE Ribose 5-phosphate 8616 54801 47226 17841 61404 132137 59655 17478 17650 17672 13049 22401 27042 18116 19925 40013 13849 7762 23743 17004 13995 7893 15666 52191 22803 RIBULOSE 1_5-BISPHOSPHATE Ribulose 1,5-bisphosphate 34062 20350 16991 24840 37207 31039 30109 10591 16936 22957 19859 26166 27863 5285 12338 46060 S-ADENOSYL-L-HOMOCYSTEINE S-Adenosylhomocysteine 473851 473512 583737 389863 355741.5000 440269.5000 446965 457193.5000 331673 877822 926649.5000 575380 635335 926702.5000 646876.5000 731898.5000 620516 601595 924155 703368.5000 356489 510390 400050 527576 369681.5000 516323.5000 404550 506117.5000 477854.5000 S-ADENOSYL METHIONINE S-Adenosylmethionine 171676.5000 177558.5000 124302.5000 180606.5000 231701.5000 160341.5000 235266 159630.5000 124196 127108.5000 324609 444033 371644 502019 376470.5000 399171 388251 393555 462410 675545 180727 535947 204278 445672 219120 376134 251468 417012 195761 239180 SALSOLINOL Salsolinol 28307 9714 18572 15678 17570 8426 12046 14982 13827 22769 17155 SELENOCYSTAMINE Selenocystamine 36548 33555 24643 42868 35085 50546 23252 62527 35680 45255 29135 36805 22074 25895 41315 25992 32090 37347 37656 25527 35301 SEROTONIN Serotonin 43964 35810 35011 24805 21850 45357 38556 25991 151863 161900 101862 170116 142858 112954 123083 46454 64364 186139 95405 37911 125403 77603 9034 126865 135865 91609 98816 140526 SHIKIMATE Shikimic acid 29451 43588 49732 53344 46945 42071 40299 44436 35458 56271 42063 8940 12930 20206 33927 35733 31800 20644 35344 23733 44954 49304 27728 24802 60561 44920 57248 29959 42299 29878 SN-GLYCERO-3-PHOSPHOCHOLINE sn-Glycero-3-phosphocholine 271763 507764 319363 381740 416708 202068 434898 269273 229638 167353 2927655 2559572 1607535 3324096 3061417 1784658 3970845 4106543 2033747 3266253 653796 2292596 1697684 1546784 857531 1745881 1228032 1831745 2410558 1352361 SORBIC ACID Sorbic acid 74970 9828 49151 33698 10603 27749 13496 5591 19283 7820 17678 8727 7143 SPERMIDINE Spermidine 3755656 7797621 4896165 5822925 6539351 6807691 5059131 7756135 5135114 5049002 12213033 4546523 6165271 7027754 13169719 8079857 9930807 9666510 6797076 8836051 6660760 5037612 5755711 4528464 5575410 4436605 5420399 5835549 6288795 5567790 SPERMINE Spermine 9915162 14304251 11025728 12423724 12682183 11767675 11362823 13957228 11514256 9686778 29535258 17408233 22508968 17156159 30525676 28188207 27489718 31348106 25065610 26380492 18339549 12943051 11556554 12808179 16495253 9971423 14115031 14588787 15895248 11482475 SPHINGANINE Sphinganine 75009 55048 88855 73575.5000 75151.5000 79511.5000 73161 74917.5000 54076.5000 127778 99712 86001 103296 78285 128513.5000 146759 76206.5000 76988 119370 169388.5000 34554 27028.5000 30444 38226 25535 57275 61888 SPHINGOMYELIN SM 18:1;O2/18:0 4957353 7339124 7499269 6211279 7273381 8664644 8089364 8346592 3614524 3616429 4871824 3628910 3003042 4212069 4987330 3964430 490117 1908464 3259388 3452838 4627764 5045670 4898493 4891632 4942501 4765977 STACHYOSE Stachyose 4951459 7829845 2485087 6161380 3725120 4914721 2246325 7365080 3907473 3082184 6485429 6507246 2761222 7874490 9472404 2404647 4145147 3691710 3817022 5694935 4254902 3593159 7761945 5002044 2807885 6397941 3064980 5868712 3810843 2904030 TAURINE Taurine 125609 214570.5000 146377.6667 199137.5000 266615 225483.5000 275257.5000 121679.3333 190329.6667 209517 339872 173427.5000 285528.5000 207191.5000 312780 387345.5000 350862 226699 207630 260493 187366.3333 257920 227542 130472.6667 244497.5000 100814 259505.5000 136830.3333 209400 175396 THEOPHYLLINE Theophylline 47887 64842 64919 33877 25801 51985 33422 37812 44574 21986 THIOPURINE S-METHYLETHER 6-Methylthiopurine 5514 14397 18959 7267 11739 14321 26014 5221 14609 11622 12781 22867 10640 10713 17515 22198 17117 THYMIDINE Thymidine 54863 61475 64939 88383 46751 58425 103850 104846 55299 57916 19625 46746 75750 TRANS-CYCLOHEXANE-1_2-DIOL trans-Cyclohexane-1,2-diol 18303 27449 43886 28804 21237 42275 78439 13382 25601 27053 27308 12172 29243 22357 22705 45739 18099 37901 18996 30898 37646 36196 55546 TRIGONELLINE Trigonelline 280859 479615 348929 454444 374405 319147 326632 575635 376438 319029 596958 348463 393953 492022 877955 460507 446200 386721 323990 394368 408421 308213 550102 270314 387749 400157 387508 335627 332228 634470 TRYPTOPHAN Tryptophan 3823677.5000 3084106.5000 2745003 2649516.5000 4303867 2635124.5000 2434588.5000 4048429 3288086.5000 4871878 4624131 4808957 3343033.5000 4902109 4919812 6297562 4436464 7875992 3635835 8201023 4399724 4766181 4684744.5000 3079593.5000 7259871 4225065.5000 3717874.5000 3251719 7270182 10592869 TRYPTOPHANAMIDE Tryptophanamide 9934 7356 26289 8004 16128 39181 22693 10274 57109 84474 14276 60647 98458 23237 59276 13876 108148 9572 28243 34772 47807 35676 71520 31355 TYROSINE Tyrosine 17413786 14253644 11782241 12478612 9991900 13484080 10145177 15976680 14240361 12431936 19764671 21951333 10717347 19110777 23334870 15891416 16466356 14979916 11172731 20501177 15506807 10935125 20237678 12531247 11610583 15332940 20111656 12503815 13657449 17985101 URATE Uric acid 123352 191600 84186 188860 108055 169967 89961 174227 110716 97041 233340 164068 72324 188586 308463 79074 95101 104155 71582 153330 116395 86236 197432 123644 88974 113752 125417 106081 94510 171356 URDINE 5`-DIPHOSPHO-N-ACETYLGALACTOSAMINE 28274 245578 414061 46851 106924 36978 36783 55031 52398 18758 17966 33384 UREA Urea 5680 12470 9978 22163 11610 12498 11293 16847 6019 6862 15480 16523 14062 8684 18134 8118 13691 URIDINE Uridine 308939 319185.6667 437684.6667 313155.3333 314534 254312 310391.6667 359836.3333 372305.6667 261608 1546842.6667 1657347.6667 862832.6667 796136.3333 1271422.3333 1538577 1462594.3333 1359880 893261 791277.3333 1273828.3333 757343.6667 1094955.3333 864572 995651.3333 686021 1386811.3333 872244.3333 996773.6667 625393 URIDINE 5`-DIPHOSPHATE UDP 18515 279815 351147 91357 19974 19600 153341 115479 75224 52087 133935 58429 85978 57907 51374 23957 21296 25803 21507 63273 20104 URIDINE-5-MONOPHOSPHATE UMP 7916 148552 69580 190862 56368 90221 111254 91451 18503 186548 76857 88318 79728 94911 105712 85588 163304 141165 52395 111223 38521 UROCANATE Urocanic acid 17691 22518 19080 21345 17437 43267 12806 12315 18199 14359 19303 25186 13826 27674 8243 22843 22291 23505 VALINE Valine 1316597 2505571.5000 1750202 2268063.5000 1765504.5000 1741561.5000 1781263.5000 2960323.5000 2456360 1848596.5000 6642363 4477518 1936462 2923168.5000 9535355.5000 2020757 2889352.5000 2426917.5000 1852593 2288232 3578807 1629924.5000 3928768 1871613 2553371 2042342.5000 2692554.5000 1667614 1835641.5000 4042876 XANTHINE Xanthine 224596 159325 110986 166305 118096 168146 121345 218441 164653 154221 319491 284789 85870 250922 351455 202541 229452 205226 98946 317868 143561 120174 246020 128413 130822 157976 257114 127808 187562 220777 XANTHOSINE Xanthosine 188457 148046 112315 146137 144986 167373 156008 175040 167798 160646 164287 112029 100761 102174 142601 135903 XANTHOSINE 5`-MONOPHOSPHATE XMP 14736 47158 20340 22514 36215 10187 11175 34928 34787 33413 24626 33357 140528 9449 36971 40302 9602 72098 46889 61113 62326 29199 11030 54693 58746 7575