Metabolite_name RefMet_name S00020439 S00020440 S00020445 S00020447 S00020448 S00020449 S00020450 S00020451 S00020452 S00020427 S00020428 S00020430 S00020431 S00020433 S00020434 S00020436 S00020442 S00020429 S00020432 S00020435 S00020437 S00020438 S00020441 S00020443 S00020444 S00020446 S00020453 S00020454 Factors - Subject group:HIGH-FA Subject group:HIGH-FA Subject group:HIGH-FA Subject group:HIGH-FA Subject group:HIGH-FA Subject group:HIGH-FA Subject group:HIGH-FA Subject group:HIGH-FA Subject group:HIGH-FA Subject group:LOW-FA Subject group:LOW-FA Subject group:LOW-FA Subject group:LOW-FA Subject group:LOW-FA Subject group:LOW-FA Subject group:LOW-FA Subject group:LOW-FA Subject group:MID-FA Subject group:MID-FA Subject group:MID-FA Subject group:MID-FA Subject group:MID-FA Subject group:MID-FA Subject group:MID-FA Subject group:MID-FA Subject group:MID-FA Subject group:N/A Subject group:N/A 16:0 LYSO PC (M+HCOO)- LPC 16:0 34891 36707 64396 44414 70307 63192 28098 44564 40239 35340 50914 34925 41067 25243 18058 67586 52533 20359 32100 47895 52898 64007 76809 43653 79271 95413 71552 18:0 LYSO-PE (M-H)- LPE 18:0 217399 290784 252401 238571 215137 179714 141707 289769 232873 172117 180779 28935 165082 251008 188745 103842 224775 182872 114965 131732 160993 183903 164607 350637 151447 307149 332078 467953 2-DEOXY-D-GLUCOSE (M+Cl)- 2-Deoxy-glucose 12305 3248 14180 13611 9199 6251 46052 35055 7684 7899 9767 6123 5085 25138 13608 16543 7080 9879 31450 25282 2-HYDROXY-3-METHYLBUTYRIC ACID (M-H)- 2-Hydroxy-3-methylbutyric acid 58207 33398 52634 100566 95459 34856 24253 56677 38314 49345 77394 45585 32365 42930 35115 39296 46202 310931 18992 41070 54594 80357 141234 15438 57680 106464 91188 2-OXOADIPIC ACID (M-H)- Oxoadipic acid 29344 7935 10012 15768 35273 20509 293106 276351 57671 19398 34217 17972 36320 51193 119889 47235 32235 49996 263604 214691 97227 12207 3-(4-HYDROXYPHENYL)LACTIC ACID (M-H)- Hydroxyphenyllactic acid 21062 22089 14870 23770 34955 19191 11957 31512 14790 28701 27967 3268 35517 15634 19375 8727 22272 22703 10457 11918 21786 33155 39799 70850 14387 40957 47451 53527 3-DEHYDROSHIKIMIC ACID (M-H)- 3-Dehydroshikimate 59519 78891 54559 114139 164046 245283 61523 235850 31885 63382 92967 423791 145301 139857 71453 36935 380167 46074 77651 3-HYDROXY-3-METHYLGLUTARIC ACID (M-H)- 3-Hydroxymethylglutaric acid 15846 16371 23622 28068 42509 23238 20491 36185 6976 32048 39657 25145 6841 13254 6165 29889 35648 19589 26221 53319 78979 16945 34896 62853 65020 3-METHYLXANTHINE (M-H)- 3-Methylxanthine 3681 9503 13560 1009 4204 91263 6522 22442 32409 12480 13912 47931 7083 10570 8303 127506 21774 8410 8601 111178 4-HYDROXYBENZOIC ACID (M-H)- 4-Hydroxybenzoic acid 129626 372598 336404 110097 59165 114665 230029 95145 71873 5757 253303 96233 85597 146207 75670 87850 153860 138394 171855 66855 143126 70966 212043 209763 169307 121138 128041 248453 4-NITROPHENOL (M-H)- 4-Nitrophenol 119780 112520 85359 87211 87761 101891 102338 106958 102668 123135 113888 71572 96487 93690 104662 117654 108558 101752 103898 113786 145355 109372 107423 109365 96655 92941 93610 134615 5^-METHYLTHIOADENOSINE (M+Cl)- 5'-Methylthioadenosine 11141 10503 18261 17911 19430 8667 9389 21881 16814 16162 20794 11930 8278 6495 6891 13215 9445 5691 8635 11660 12566 15766 29132 8710 29285 42082 51682 5-OXOPROLINE (M-H)- Pyroglutamic acid 661330 461263 1584762 723053 824657 575473 1315722 1120834 315670 729695 634596 134460 456889 461652 272225 188898 493735 375690 255847 347183 382737 407518 647904 680417 256461 1671686 1320841 2505254 ADIPIC ACID (M-H)- Adipic acid 34695 27311 6838 19597 8996 23425 16501 8436 16716 11128 10902 14044 10340 21069 20998 17242 18803 22070 21605 20863 15605 23587 7443 25981 23799 6177 4427 7058 ALPHA-HYDROXYISOBUTYRIC ACID (M-H)- 2-Hydroxyisobutyric acid 26318 39709 62818 71525 100176 18931 20908 44745 33072 20584 28907 27265 23932 32774 19254 14128 40112 18507 25557 32977 29230 21314 47711 16429 68398 136417 133709 ALPHA-KETO-GLUTARIC ACID (M-H)- 2-Oxoglutaric acid 406884 658500 219263 450580 459132 379880 306002 107632 932427 297910 240018 494011 883260 917381 478933 232836 353261 184706 1450891 ALPHA-LINOLENIC ACID (M+HCOO)- alpha-Linolenic acid 27474 63354 59210 32598 20805 28882 34143 29186 37220 42505 25618 111881 24842 70818 36677 50382 39065 35033 68876 43257 32096 44710 25407 15619 55020 29833 18678 17354 ARACHIDIC ACID (M-H)- Arachidic acid 10268 22222 14892 7302 6393 9690 7043 9774 7430 13808 10748 16348 9325 17577 11080 13445 10613 12280 11316 10786 12121 12588 14116 10527 12848 8538 5954 7147 ARACHIDONIC ACID (M-H)- Arachidonic acid 203854 715418 982007 383798 383167 399351 180259 312088 292949 248151 291971 85736 221347 436364 151294 176433 353695 201498 166670 125399 192931 317233 294690 645744 323238 505362 531670 459720 AZELAIC ACID (M-H)- Azelaic acid 65577 37391 77137 25589 28136 51795 52232 37297 28427 34591 25850 31107 23625 23138 21278 23660 50023 35862 27055 24553 42068 24871 44410 45977 21857 30100 24019 31251 BEHENIC ACID (M-H)- Behenic acid 14231 38480 16696 9613 10521 11292 12948 9417 16694 11436 9950 9820 25113 16696 17800 14934 16009 12322 16275 17889 10740 19597 14900 10207 7760 BENZOIC ACID (M-H)- Benzoic acid 39792 36968 41684 36765 47455 40780 36185 63040 41968 40249 54011 10805 35900 32452 39891 29465 50822 29154 32787 29000 41201 46681 34945 50556 24053 58576 53012 80378 CARNOSINE (M-H)- Carnosine 7774 49283 7374 32195 5254 16037 8232 11870 35319 5933 19705 39552 40557 26176 12891 25292 18906 10260 12464 33699 2983 CIS-11-EICOSENOIC ACID (M-H)- cis-Gondoic acid 12563 66468 18842 11431 15288 27085 8506 13438 12187 15352 17890 4445 14948 56830 6632 11039 20908 16963 29070 8602 12343 12726 24865 31422 13992 13024 19770 10479 CIS-7_10_13_16-DOCOSATETRAENOIC ACID (M+HCOO)- Adrenic acid 2154 13138 6031 2258 2888 3849 2322 2134 3548 5182 2108 2478 1976 10022 2737 3886 4295 4399 8832 1941 2330 2912 3290 2092 5572 2580 2350 3262 CITRAMALIC ACID (M-H)- Citramalic acid 27081 22856 15364 104839 33336 24559 55392 43728 17307 41631 74478 26977 37486 15630 62403 99784 80253 22653 67749 CITRIC ACID (M-H)- Citric acid 109840 277431 125628 79314 125443 105970 92558 118911 41997 23355 100973 89588 119743 142471 97918 190688 20151 95876 154555 106085 26635 40439 49174 101297 114017 210130 190596 CORTISOL (M+HCOO)- Cortisol 13654 5525 9318 14172 12551 7671 6712 6312 10513 12327 27142 18361 14160 19586 3591 13921 6036 8956 6017 7360 4680 26633 43458 13176 25911 39428 40281 CORTISONE (M+Cl)- Cortisone 11663 8394 12643 8468 12294 9360 8537 7268 6436 11407 17301 16322 14417 11325 3363 11086 5456 7901 6324 6415 7983 15858 20662 9126 15412 19032 25190 CREATINE (M-H)- Creatine 18384 19556 5428 27014 15698 24437 42213 24823 28972 19793 16053 31260 19624 19801 12907 31572 23857 18106 34397 20524 22487 19782 6227 20070 18433 16395 19867 16544 DOCOSAHEXAENOIC ACID (M-H)- Docosahexaenoic acid 23663 69998 63137 33751 37227 19869 16728 26466 18949 33283 20737 25954 37027 29934 19025 39632 35998 17068 11792 16428 23607 59659 36987 48178 72627 34617 ERUCIC ACID (M-H)- cis-Erucic acid 8154 18340 10284 6902 8029 9269 5259 6472 6099 10848 9864 5325 9485 16657 12351 10571 9627 10562 10063 7276 7121 10211 8279 12334 7851 7062 8790 6598 FUMARIC ACID (2M-H)- Fumaric acid 50956 132563 99112 90050 114053 40116 60266 83409 33483 65800 85940 50097 32030 50192 44371 63568 71240 41638 52044 52294 61820 111564 183875 102370 FUMARIC ACID (M-H)- Fumaric acid 346711 863208 517100 605223 704264 286095 470177 616206 239189 511415 653638 195117 282828 272676 322311 398476 362658 332772 215231 301139 275101 393019 376695 267745 236227 699556 1082454 605463 GLUCONIC ACID (M-H)- Gluconic acid 47408 11752 51671 3913 20326 10187 10997 13330 17296 23419 12851 12882 6937 8895 15439 GLUTATHIONE (OXIDIZED) (M-H)- Glutathione 83031 93711 304515 275012 357443 88318 115014 128709 227049 107541 84338 26266 128223 90436 63638 102076 68208 169723 69286 173340 199679 75389 84442 124155 96180 293907 381598 447457 GLYCERIC ACID (M-H)- Glyceric acid 24623 75639 72405 45854 29142 21198 78173 31814 14661 38164 46708 20431 30605 27834 17674 50558 29760 40313 19986 25639 130931 85047 37096 HEPTADECANOIC ACID (M-H)- Margaric acid 29425 40838 61940 35493 32651 34685 28093 32014 38983 39369 30904 19520 26584 136371 22898 34475 35648 29068 41458 26571 16071 35141 31650 42177 28593 60679 45166 49183 INOSINE 5^-PHOSPHATE (M-H)- IMP 361733 593889 5241 244179 47280 51461 33947 22905 368879 349004 403758 287656 516017 492426 26948 557565 414547 412169 260852 35529 32839 423630 5991 INOSINE (M+Cl)- Inosine 802324 640600 36607 585672 27344 91681 15592 258824 427315 13723 241801 247390 74829 150977 41486 338831 91809 75239 196816 1325264 531935 246588 22571 46450 INOSINE (M-H)- Inosine 888118 943847 98253 19741 12948 1376912 43646 139012 97436 358945 782709 33449 349485 364592 142881 120813 3835335 544123 205582 173763 317448 1812354 516779 1486472 310895 54939 35271 48281 ISOCITRIC ACID (M-H)- Isocitric acid 22449 28546 26738 36045 28575 33062 26519 36285 48384 34189 27948 26503 15003 27896 30870 73475 38214 31492 35070 58313 38434 30616 36848 18097 29090 44231 49629 51923 L-[15N]ANTHRANILIC ACID [ISTD] (M-H)- 2-Aminobenzoic acid 595970 634743 1800441 603953 692497 657474 513788 724922 725802 870457 419260 509046 596694 600888 671622 783590 93308 551289 597734 696343 716384 751749 592037 617668 607733 669506 778128 87742 LAURIC ACID (M-H)- Lauric acid 16766 15168 14815 15710 11698 12438 13640 13374 13082 16635 20452 9846 14080 23533 14493 12094 15309 11857 13967 13256 16820 16447 21897 19553 13829 14755 13906 12635 LIGNOCERIC ACID (M-H)- Lignoceric acid 2100 3982 1717 1426 2730 1293 2874 2621 3541 5822 1644 9224 1702 2328 5165 2917 4173 1153 2015 4529 1192 1323 LINOLEIC ACID (M-H)- Linoleic acid 500250 1232059 611532 558699 522777 588638 525275 480476 588435 454136 688316 414570 619515 903584 579989 528587 618832 488340 636700 527190 479718 473200 635902 626687 524671 600443 595551 728188 L-TRYPTOPHAN-15N2 [ISTD] (M-H)- Tryptophan 605919 620343 515254 348287 385326 536994 518366 418613 397762 874562 529761 678567 492100 545755 658343 764089 515286 601461 609160 619999 700724 706333 542689 518941 543255 411279 436555 401063 MALEIC ACID (M-H)- Maleic acid 305259 664528 427576 383564 474970 344209 300774 395224 118016 348402 269405 195117 419585 204473 293769 376163 200411 215187 230280 207520 232064 214063 234041 132131 509216 744729 492976 MALIC ACID (M-H)- Malic acid 5790482 5813578 1435258 2780587 2434437 3863418 4883687 5885631 2593126 4208987 4684092 6171732 4455503 5411601 3836840 5907050 4770442 2979516 5243024 4057056 3779526 3491070 5197401 3789792 2497642 9642940 2754157 MALIC ACID (M-H)+[-H2O] Malic acid 305133 481702 371752 408727 397266 280318 307851 255157 232462 207250 237989 280713 228119 401646 223104 274442 151548 166535 385488 225882 16770 204756 144083 200882 378657 459962 442512 MANDELIC ACID #2 (M-H)- Mandelic acid 5799650 4864925 11100313 3429970 2396186 5878886 8051595 3787161 633926 68495 4270532 4586554 3001816 2188069 2442412 2313918 5202471 4395466 8192738 1246130 4260911 3637450 3344826 3613798 2967544 3853389 3131098 5920280 MYRISTIC ACID (M-H)- Myristic acid 22012 65868 43077 25261 38500 27946 37433 14431 30764 36677 25034 27206 26228 187707 30167 41111 39426 38622 37379 27025 18451 19293 21732 23578 24797 30469 16814 26065 N-ACETYL-L-ALANINE (M-H)- N-Acetylalanine 44581 47332 89517 75034 98434 56690 52961 100516 42965 66959 64790 77268 45678 32388 18610 33366 58152 26816 35419 38811 44449 67978 85441 35909 124415 131028 110237 NAD (M-H)- NAD 1670 7636 13249 13148 3648 8542 5422 11319 5984 3040 1035 4382 2819 3954 5344 2931 1840 7982 8440 2309 1930 3718 5946 15568 11223 NERVONIC ACID (M-H)- Nervonic acid 5131 30818 4046 2395 4859 5727 2861 3409 2615 6341 9337 4343 10174 19741 10674 6052 8756 8502 8614 4155 7561 5049 8909 10769 11482 3425 5365 2965 OLEOYL-GLYCEROL (M+HCOO)- MG 18:1 35069 52404 9360 11264 6029 21488 8741 10339 7226 19902 31976 6365 22693 34072 17418 17462 57702 16148 15433 12366 22584 60697 24646 57601 22656 7133 9025 5080 PALMITIC ACID (M-H)- Palmitic acid 303377 668379 500875 326303 311597 407882 336445 506442 372048 538291 383984 365484 371550 848626 255265 398678 363226 403722 497315 542989 384621 442088 397639 329449 371923 375844 294786 359232 PALMITOLEIC ACID (M-H)- Palmitoleic acid 42382 199229 52759 57976 49972 59380 62975 50039 74227 66288 87962 18004 45108 955789 25967 59666 64403 49250 100152 45671 41370 39306 70877 83464 38113 67886 65513 77029 PANTOTHENIC ACID (M+Cl)- Pantothenic acid 29183 97234 72999 41125 254488 49206 93308 234218 21437 67251 94934 44535 48272 25234 17345 59691 68994 4748 87984 89592 68773 130778 267074 25719 58487 288495 111829 PANTOTHENIC ACID (M-H)- Pantothenic acid 194849 680623 469986 261769 1497172 316685 613645 1644650 162855 353859 570691 25216 284159 290505 181570 126042 348710 435874 39976 615313 598174 427018 738300 2107736 172333 377871 2522957 621834 PHENYLALANINE (M-H)- Phenylalanine 30693 44187 41243 38342 57610 37498 34075 81383 29470 34397 52345 40876 27870 18762 20379 40569 21150 16739 19759 29876 45738 85299 20209 94121 82156 96254 PHOSPHOCREATINE (M-H)- Phosphocreatine 81462 84859 143951 2896 24800 39819 128470 2616 7198 16978 3626 1249 100399 146830 104959 PHTHALIC ACID (M-H)- Phthalic acid 16776 12619 11830 11095 15307 13042 14580 14156 11787 17084 17579 6864 12025 12206 11466 12828 16813 18172 12333 13960 15285 13866 18168 16295 11398 13539 12219 17063 PHYTANIC ACID (M-H)- Phytanic acid 3021 3756 3695 2433 3231 2979 1967 1505 2565 2441 2538 2615 4063 1947 2128 3595 2818 2255 1951 2055 2743 2797 2251 3692 3432 1981 PYRUVIC ACID (M-H)- Pyruvic acid 18916 13796 74663 22864 61850 42457 70782 26899 36402 60178 30462 17112 45153 25998 41491 61356 14956 71737 16903 62498 66269 83972 54717 36380 49771 30519 13693 RETINOIC ACID (M-H)- Retinoic acid 11044 5044 5656 4756 4150 4402 2596 15451 8653 2606 2196 1815 4145 2652 3428 2143 4986 3551 2846 2379 7424 3426 5147 5671 4220 5547 8259 8053 SALICYLATE #2 (M-H)- Salicylic acid 10814 11715 13589 14282 18957 11482 12904 18272 15738 56657 13419 5622 12612 10717 10432 11676 10542 12254 10075 20452 11241 15194 12242 8877 11232 125084 17259 STEARIC ACID (M-H)- Stearic acid 510113 793015 725076 489930 448964 630052 380698 734821 481995 831650 597394 514157 608163 632721 424754 607234 564260 662622 640051 752348 569199 750129 609414 614681 546813 538504 451190 458150 SUBERIC ACID (M-H)- Suberic acid 27168 14395 27991 9271 8445 22724 12141 10138 10986 11117 10551 8043 6547 7316 7596 7001 16653 11047 8690 8651 15949 9460 18037 23540 9944 9512 8745 10032 SUCCINIC ACID (M-H)- Succinic acid 1120347 895571 770479 445340 363757 592737 895288 435989 488114 722655 935541 252627 1684440 1566071 2553811 789930 1331534 1306119 697713 2161904 1964539 256680 1952440 2370509 1689929 381012 287717 803754 THEOPHYLLINE (M-H)- Theophylline 55992 36880 17779 31399 15751 13191 18115 17349 29342 36528 5682 22264 21378 33360 268503 390379 THYMINE-D4(METHYL-D3_6-D1) [ISTD] (M-H)- 652099 998545 843173 850187 708351 343633 710003 1086377 724895 532992 968532 632041 825213 897927 401141 622328 816744 739243 830670 557424 462600 417477 994367 844033 189717 TRANS-ACONITIC ACID (M-H)- trans-Aconitic acid 108933 233859 103232 56170 115007 65864 81006 91724 22883 111101 51948 33493 91237 49163 82246 24289 191047 56923 32637 119313 89599 32099 112389 109804 43532 95774 161341 149861 TRANS-VACCENIC ACID (M-H)- trans-Vaccenic acid 473691 3650494 991649 576500 528981 756273 392931 468720 590025 487766 747154 215663 451417 1882616 230117 404728 1100574 459104 815166 291304 371589 520136 1148499 1212642 525852 898147 941822 703146 TRICARBALLYLIC ACID (M-H)-[-H2O] 1,2,3-Propanetricarboxylic acid 34331 8112 34424 53498 97849 86222 223608 288155 424833 11452 24039 80810 23150 226200 71748 99216 162549 34617 203826 432550 272005 82789 356609 53452 95435 7930 TRICOSANOIC ACID (M-H)- Tricosylic acid 3639 5090 2325 1837 2208 2366 2988 1802 2897 5501 1693 2812 1507 4528 2635 4348 2241 2036 2960 3143 3602 1794 2461 1604 3413 1324 1455 TYROSINE (M-H)- Tyrosine 5684 8687 10375 14042 7232 6528 9037 11670 5104 5612 6683 5826 2690 2764 4033 2928 3193 6291 6402 4579 6033 3595 22393 11488 17881 URIC ACID (M-H)- Uric acid 40945 108229 275270 20690 107520 135718 13548 24393 65450 43335 68859 7304 123475 1858 24925 3613 1737 45202 97239 15613 8010 276007 236665 12458 URIDINE (M+Cl)- Uridine 682689 1566956 246911 240206 197165 209499 94549 176685 246371 124316 271296 28953 188495 425263 111012 183515 540010 159603 160544 173822 195037 304026 372546 401192 153591 287958 140112 240115 URIDINE (M-H)- Uridine 67412 147508 43577 39732 33787 38190 10328 41230 22210 25804 37195 4800 21172 46302 21813 56880 33692 11348 15449 38629 47727 29331 16549 32641 ZEATIN [ISTD] (M+Cl)- trans-Zeatin 303063 301369 143513 253532 309570 300482 297855 323178 254191 343777 316676 77970 287524 277049 266119 290930 338082 317161 281158 271558 300027 293568 346065 381421 286461 284813 363621 336371