Metabolite_name RefMet_name S10 S11 S12 S13 S14 S15 S16 S9 S1 S2 S3 S4 S5 S6 S7 S8 V10 V11 V12 V13 V14 V15 V16 V9 V1 V2 V3 V4 V5 V6 V7 V8 Factors - Group:BAD SAHBA SD | Treatment:Cytokines Group:BAD SAHBA SD | Treatment:Cytokines Group:BAD SAHBA SD | Treatment:Cytokines Group:BAD SAHBA SD | Treatment:Cytokines Group:BAD SAHBA SD | Treatment:Cytokines Group:BAD SAHBA SD | Treatment:Cytokines Group:BAD SAHBA SD | Treatment:Cytokines Group:BAD SAHBA SD | Treatment:Cytokines Group:BAD SAHBA SD | Treatment:PBS Group:BAD SAHBA SD | Treatment:PBS Group:BAD SAHBA SD | Treatment:PBS Group:BAD SAHBA SD | Treatment:PBS Group:BAD SAHBA SD | Treatment:PBS Group:BAD SAHBA SD | Treatment:PBS Group:BAD SAHBA SD | Treatment:PBS Group:BAD SAHBA SD | Treatment:PBS Group:Vehicle | Treatment:Cytokines Group:Vehicle | Treatment:Cytokines Group:Vehicle | Treatment:Cytokines Group:Vehicle | Treatment:Cytokines Group:Vehicle | Treatment:Cytokines Group:Vehicle | Treatment:Cytokines Group:Vehicle | Treatment:Cytokines Group:Vehicle | Treatment:Cytokines Group:Vehicle | Treatment:PBS Group:Vehicle | Treatment:PBS Group:Vehicle | Treatment:PBS Group:Vehicle | Treatment:PBS Group:Vehicle | Treatment:PBS Group:Vehicle | Treatment:PBS Group:Vehicle | Treatment:PBS Group:Vehicle | Treatment:PBS 11b-Hydroxyprogesterone 11beta-Hydroxyprogesterone 3614 2886 3112 4894 5259 3279 3473 3645 4842 5150 5805 4324 5918 5142 3306 2807 3371 7712 6996 5672 6008 5637 5436 3463 6386 5416 3806 4050 3515 3361 9856 10196 13-L-Hydroperoxylinoleic acid 13S-HpODE 11412 11750 11775 12710 13073 12441 12430 13043 13270 12043 13939 13927 15084 16334 11208 11701 13111 16947 16721 16006 14252 13775 14781 13315 15851 15569 13766 13766 12299 13455 14586 13701 1-(alpha-Methyl-4-(2-methylpropyl)benzeneacetate)-beta-D-Glucopyranuronic acid 4169 3189 3510 7785 7096 3674 3526 4132 5532 5718 5171 4902 8389 8882 3492 3015 4179 10315 10837 7845 7539 7280 6912 3787 10015 9577 5653 5839 3988 3881 5488 5354 2_3-Epoxyaflatoxin B1 11511 10163 11624 13246 10439 12500 10772 11718 12215 10128 9930 9916 9677 19940 10783 10945 10938 26303 10215 10364 10132 11106 9521 10617 21726 9872 9742 9525 9281 9798 8322 8534 2-Methoxy-estradiol-17b 3-glucuronide 2-Methoxy-estradiol-17beta 3-glucuronide 2187 1945 1660 4235 3873 1948 1968 2192 2927 2603 2819 2527 4919 4701 1790 2121 2117 6182 5824 4235 4046 3498 3552 2127 4994 5446 2687 2274 2208 2379 3105 2969 2-Phenylethanol glucuronide 8733 8346 8650 14620 13877 8063 7587 9517 10210 10346 10769 8982 15274 14239 8604 8545 10305 20651 19443 15916 14787 14624 14205 9896 15838 16889 10194 11720 8973 9169 10049 10564 3_4-Dihydroxyphenylglycol 3,4-Dihydroxyphenylglycol 27693 25832 29524 29581 30697 26917 26056 29497 30811 28229 28789 29122 39521 36071 28558 27388 24721 43505 39912 33518 36521 33147 32279 24633 40404 39050 28281 28929 29849 32299 33469 25548 3 beta_7 alpha-Dihydroxy-5-cholestenoate 3beta,7alpha-Dihydroxy-5-cholestenoic acid 2330 2311 2765 2684 3045 2024 2098 2533 3020 2970 2738 2905 2906 2794 2169 2510 2621 3095 2891 2948 3082 2980 3255 2557 2818 3510 2396 3047 3066 3422 3453 2817 3-Hydroxyanthranilic acid 3-Hydroxyanthranilic acid 19679 19741 22124 19157 19571 21085 20844 17557 19203 16795 20565 17881 18358 15135 17419 22642 22193 23359 24816 19045 23333 21478 23204 21431 20762 21707 19918 16655 21111 20347 17535 18572 3-O-Sulfogalactosylceramide (d18:1/16:0) 14384 15909 15796 12596 12090 10998 10636 13875 13716 13273 11374 10520 15102 15879 14522 14175 11438 8329 8457 9628 9834 12432 11521 10954 13771 13664 13007 12958 10409 10662 12472 12907 3-O-Sulfogalactosylceramide (d18:1/18:0) 10591 11002 10936 10289 10349 10120 9830 10762 9909 10365 9855 9439 10540 10880 10552 10830 9541 8387 8195 8635 8683 9350 9180 9143 9770 10066 9625 9425 9513 8885 9650 9981 4_6-Dihydroxyquinoline 4,6-Dihydroxyquinoline 18081 14650 17191 14992 19039 17763 17701 15007 12172 15186 13165 14554 12582 12028 12219 12024 20498 21542 18640 19064 21192 20469 20688 19006 14763 17283 12536 14788 13841 14214 16069 15439 4-Acetamidobutanoate 4-Acetamidobutanoic acid 35369 28641 28431 28963 28123 32366 28070 32612 25284 25533 25155 28035 25888 23250 24051 24436 27035 28515 27426 24520 25792 29100 27631 22609 24920 22476 24369 23379 26882 25874 24193 22356 4-Coumaryl alcohol 4-Coumaryl alcohol 86280 89554 83314 93773 86472 80917 85833 87820 80693 92625 94320 85805 104842 97432 88903 86058 91321 110692 113899 98198 98615 99932 96003 87134 112150 110753 86140 85207 90582 96293 97000 93335 4-Methyl-2-oxopentanoate Ketoleucine 83333 77391 82823 83558 92065 76165 81360 81461 75293 76483 66644 72632 78662 81509 63706 79042 79944 89977 92700 85883 85200 81725 82953 82562 79688 76295 72710 81368 72829 84517 73240 75197 5-Aminolevulinic acid 5-Amino-levulinic acid 384135 333496 355728 342442 357654 361282 371715 390118 384787 406537 386691 366113 380038 366193 420124 422682 297452 274856 262471 254327 259917 276438 278091 301098 365640 360777 375719 364258 434012 418424 368921 369448 5-Hydroxyindoleacetic acid 5-Hydroxyindoleacetic acid 30546 24250 25592 26593 27849 24890 29339 28264 16373 14068 13428 15176 13569 12235 12863 11732 28879 27984 25398 26350 26985 27531 25428 28863 12376 13473 13437 13394 13950 13496 12313 12135 5-L-Glutamyl-L-alanine gamma-Glutamylalanine 146729 133750 131154 127468 125604 126491 122625 162184 82801 85500 78963 76962 77736 76867 79633 82261 135569 115898 114810 113135 106790 118904 121955 133145 79222 73358 76500 70447 81059 87506 71727 72854 6-Dehydrotestosterone glucuronide 2352 1846 1957 3890 3550 2365 2935 2349 2494 2776 2466 2744 3710 3900 1684 1786 2295 5089 4346 3521 3688 3437 3218 2432 4188 4675 2578 2514 2057 2306 2996 2939 7-Methyl-2-hydroxy-6-oxoocta-2_4-dienoate Vanylglycol 16557 15098 17065 22154 25214 17592 15642 15971 17844 17239 16336 18155 25823 24848 15376 12797 13666 33442 29534 24050 26225 21583 20890 14577 26777 26971 18083 18639 18034 18892 17740 18321 8_11_14-Eicosatrienoic acid Dihomo-gamma-linolenic acid 91849 105072 102641 106996 105416 88386 82622 95033 101306 104389 97592 91203 120327 118082 104993 108462 71634 65196 64950 64604 60989 92775 85606 68842 105148 103817 95562 95127 96674 94488 92413 90918 9_10-Epoxyoctadecenoic acid 9(10)-EpOME 21378 20108 20933 23685 23656 24232 24066 22254 22260 22975 22703 22079 27038 25806 21591 23803 23661 27856 26871 25938 24389 25532 24941 22868 25363 25932 22221 22446 25062 22278 21668 24094 Acetyl-Asp 4025219 3372203 3406586 3265255 3285603 3364312 3408604 4085635 4009792 4001614 3879514 3883625 3660768 3594423 4359412 4317783 2948138 2465556 2470320 2346800 2280566 2579013 2522823 2863690 3550975 3612044 3797603 3748246 4405096 4286935 3708483 3698759 Acetyl-Glu N-Acetylglutamic acid 103982 83758 82287 87064 79293 82553 85266 99688 82248 84962 82345 83297 80608 72871 86373 84817 87267 68852 66090 69342 66971 74697 76465 89798 71881 75432 71006 76931 76950 79507 70091 71479 Aconitate trans-Aconitic acid 66979 59614 63818 65406 59700 65186 63782 70442 74589 67952 79596 72737 72446 63094 81473 72723 64984 53352 56002 56648 55820 60370 57149 68280 60043 71054 67695 68879 73370 65083 65686 63215 ADP ADP 127822 120069 117837 121500 115967 118871 117945 132481 152391 147190 136618 133579 147290 143630 162026 154250 103144 94790 89345 89284 88451 96171 92951 103608 127619 118586 120973 116004 128218 123288 119330 115353 Alanine Alanine 110609 96572 96370 89300 99168 104616 96969 108185 104955 112064 101968 93911 89801 95593 106125 111498 87290 79504 86035 73400 87912 84076 78987 90129 97979 92712 96033 104578 107707 104712 101282 89544 All-trans-retinoic acid Retinoic acid 14614 13582 13066 21905 18905 15833 16050 14790 21152 19493 25815 25361 21279 22216 16968 15790 15029 27971 26573 25202 22866 24592 24414 14320 22313 23210 17481 16367 16527 15715 101425 104015 Alpha-Linolenic acid alpha-Linolenic acid 20287 20535 20249 22113 21748 20241 21314 23547 23440 23544 24601 24621 25195 23008 23734 22991 21996 21883 20547 22319 21098 21982 20642 20931 25273 24505 22866 23033 23053 22277 22224 22472 Aminoadipate Aminoadipic acid 23401 22120 20307 24185 22799 26684 20975 23899 21487 22382 23483 26074 22718 21383 26543 23955 22721 21643 20441 18923 17498 22122 23897 21599 28704 24831 24870 24269 27690 27079 23626 24525 Aminobutanoic acid (ABA) 40545 42097 40172 44789 41779 36288 41553 42929 43983 44060 40737 44468 48168 38633 41577 44831 32163 30812 30957 29926 33330 32810 34564 34313 37684 39386 46847 40234 48443 42302 45435 40006 AMP AMP 56723 50858 49096 51597 49347 49655 50388 58049 66546 66687 58034 59501 60215 59455 65838 62313 48814 43408 40942 39720 38178 39922 41075 51254 59249 59817 54177 51157 56682 55963 54702 54454 Androsterone glucuronide Androsterone 3-glucuronide 2489 2392 2307 4189 4420 2155 2414 2485 3335 3139 3465 3328 5824 5202 2380 2428 2302 6911 6371 5407 4902 4702 4475 2318 5225 5779 2883 3455 2347 2361 4734 4531 Arachidic acid Arachidic acid 252333 277435 276364 254450 249216 212309 205293 260386 269846 272020 223480 218233 337579 319155 296854 289976 269899 225951 218888 248005 236373 304318 292812 274958 336201 318876 291023 285634 251273 236412 291887 278790 Arachidonic acid Arachidonic acid 309345 370456 372751 386477 372274 281700 278245 320023 359179 353473 321923 314650 437911 426381 381391 376256 223707 201407 191248 197066 195084 324691 311355 224993 367365 357333 317963 313708 304106 296116 303681 300332 Arginine Arginine 700289 624747 623404 627848 632672 621375 657770 692387 617057 603718 609589 627628 616097 615132 660559 654296 546894 531500 545012 514474 528945 540474 554485 546655 562910 560611 556946 556869 612284 597641 564791 588964 Argininosuccinic acid Argininosuccinic acid 13151 11132 10886 11055 11397 11912 10522 11501 10367 11751 11111 10058 10030 10351 9556 11047 11873 12038 13306 12981 11674 13674 12755 11919 10417 10377 12575 12523 9240 10375 8517 9101 Asparagine Asparagine 77459 69945 66794 72815 75576 76928 74149 75457 58256 54454 58324 57756 55903 55022 59172 55334 73751 73323 75030 67650 77329 73236 77664 76793 66447 59451 57816 59569 67278 62211 62690 60845 Aspartate Aspartic acid 833402 794076 778717 788350 789177 762588 768462 846606 825576 845771 818665 804997 828728 811585 869466 851061 665425 649869 639949 630992 637506 649130 652192 637417 830963 819890 809895 798600 851144 840855 830200 817170 Aspartate semialdehyde Aspartate-semialdehyde 21345 18390 19427 19757 24249 18675 20626 17003 20894 20366 15555 17842 17617 16578 16143 18925 22179 19586 21286 19704 21254 23649 19019 24011 19117 16031 16764 19327 17742 19103 19858 17194 ATP ATP 137189 136417 129142 128911 125698 133086 128812 136221 164188 159753 154581 150242 159690 154637 173808 168151 110494 103988 101677 99569 94497 105552 99307 112307 132122 127859 128219 119754 136738 133950 127846 125965 Benzoate Benzoic acid 157403 187436 185358 206563 198450 229476 227760 168163 146597 152604 159511 164199 160181 165270 145858 147767 153021 187175 168683 155607 163842 150397 160156 155262 156947 169377 161886 166639 159425 169965 165320 170376 Butynal Butynal 7411 7414 7152 6528 7928 9601 7116 8262 8994 8942 10002 9228 9531 9643 11509 11468 8406 7035 5209 9114 8658 7403 6985 6860 8971 10479 10646 8807 10798 8571 10787 6884 C10:3 Decatrienoic acid 26350 32576 28703 35338 35584 30710 30527 28806 33924 30138 35698 28693 38771 33030 28831 29729 27714 40966 44906 35912 36936 30490 35219 27879 47957 37598 30465 30587 32248 32242 38548 36814 C14:0 Myristic acid 1905648 1754888 1739442 1737785 1735936 1798206 1803770 1914924 2002662 1991557 1957699 1983608 1944791 1938239 2034663 2028938 1836545 1783868 1806774 1740075 1728204 1782595 1751454 1861835 2161636 2152408 2019686 1998088 2146807 2114053 2036365 2059325 C15:5 FA 15:5* 80826 73389 68086 72573 71316 69274 71215 83850 100654 103275 94377 97997 101441 97059 104548 102809 80017 84502 79863 77725 78301 84567 81467 78634 88918 86398 75057 75609 84987 82744 76877 84272 C16 Cer Cer 18:1;O2/16:0 87007 91595 87384 68846 64987 56623 53459 91207 65836 63587 48339 44176 78066 75604 67999 66117 71680 44133 41835 59656 58367 92332 87308 72652 62166 59507 56508 54854 36782 35255 52285 49078 C18:1 Cer Cer 18:1;O2/18:1 4384 4187 4307 3803 3249 3875 3502 4313 3732 3284 3259 3022 3456 3396 4218 3963 3491 2792 2889 2616 2944 3511 3538 3294 2839 2651 2918 2681 2898 3026 3141 2674 C18:2 Octadecadienoic acid 503402 540107 542875 549122 541939 482601 474565 503093 558188 552577 512998 514887 605389 606483 581409 578980 422480 395960 379246 387952 373350 494830 478280 423445 540657 531195 503825 488630 487740 483826 465610 467675 C18 Cer Cer 18:1;O2/18:0 9076 8270 8620 7182 6703 6908 6490 9217 8263 7567 6451 5695 9040 8643 7753 7545 6950 5117 4989 6426 6515 8604 8280 7553 7387 7199 7079 6612 5013 4817 6519 6247 C20 Cer Cer 18:1;O2/20:0 6709 6545 6677 5859 4938 5140 5253 7331 6545 6113 5784 5275 7509 7135 7043 6328 4985 4188 4023 5113 4732 6783 6266 5638 5961 5826 5808 5426 3934 3830 6081 5481 C22:6 Docosahexaenoic acid 38068 40585 41498 41820 41115 31332 31631 39263 45724 44192 41389 38968 51607 50270 44195 47043 27172 23969 22587 24362 22870 33267 33587 26498 40890 41039 37429 38103 35881 36072 35163 33751 C3:0 (Propionic acid) Propionic acid 11695 9366 13597 12832 14594 11398 10233 13858 12268 12103 14877 12425 9136 12477 11266 10032 14490 16120 15008 16863 17367 14254 14385 12686 15122 15253 16468 12759 12687 13598 14296 13175 C4:0 (Butyric acid) Butyric acid 3565 6090 3985 6695 4292 4965 3920 3683 4331 5107 6026 4294 4488 4471 3770 4587 5277 6207 6382 5302 4478 5229 3848 5502 4983 5287 4532 5035 5905 4228 4248 2796 Carbamoyl phosphate Carbamoylphosphate 30514 24788 27992 25838 26527 26182 26192 24956 29306 27774 29204 26853 27643 30622 30097 30721 27279 26447 23679 25264 28701 27159 26292 24599 28187 27720 24209 30174 31757 25072 27518 30363 Catechol Pyrocatechol 32131 35678 33677 40000 37149 29005 31578 32039 35710 41438 43384 37317 58839 44570 35704 38154 29245 49920 48511 45399 43111 38303 43442 32161 46350 51150 33785 41243 35562 36706 39944 31117 CDP CDP 4497 4902 4960 4984 5217 4727 5117 5710 5861 6055 5408 4923 5632 5935 5850 6042 4498 3556 3933 3809 3375 3610 3643 4074 4875 4644 4332 5071 4929 5042 4741 4641 CDP-ethanolamine CDP-Ethanolamine 6852 6226 5919 6389 5997 6283 5799 7286 7331 7346 6609 6623 6718 7172 7678 6990 4513 4120 4271 4133 3736 4133 4370 4583 6930 6637 6694 5678 6740 6418 6343 6237 CE(19:0) CE 19:0 1709 1885 1845 1808 1729 1844 1601 2017 1558 1637 1543 1564 2001 1801 1900 1819 1638 1273 1152 1536 1496 1799 1828 1738 1845 1902 1642 1488 1325 1286 1510 1542 Chenodeoxycholic acid Chenodeoxycholic acid 5862 5919 6561 7623 6574 5095 4861 6244 10745 10657 8756 8840 5797 5778 6094 5848 8197 6147 6030 7306 7785 9689 9523 7942 20024 19834 25447 25475 21789 21729 20133 20078 Cholesterol glucuronide Cholesterol glucuronide 2965 2557 2459 2717 3145 2133 2264 2833 3184 2997 2537 2559 3041 2627 2566 2565 2450 2650 2794 2559 2462 2638 2248 2979 2839 2677 2634 2632 2899 2552 3043 3118 Cholesterol sulfate Cholesterol sulfate 18738 19273 18652 17955 16586 17723 18402 19295 17604 16660 16473 17193 15985 15906 18608 17819 24092 21145 21729 22306 22553 23348 22556 24598 17805 17466 16753 16313 17900 18442 17541 17393 cis-beta-D-Glucosyl-2-hydroxycinnamate 4719 4998 4612 8327 7892 6203 5974 4708 5167 5338 5263 5095 7048 6693 3044 3800 4799 9919 8673 7527 7171 7583 6407 4081 7754 9160 6032 5953 4444 4662 4112 5498 Citrulline Citrulline 50429 45476 48184 42056 43880 43044 41984 50493 10666 10564 12261 11404 11171 9842 10722 11386 51631 48481 51446 46970 46682 49142 51257 53018 12841 11514 11036 12221 15056 12779 12210 10322 CMP CMP 10704 9411 9676 9220 8642 9693 9778 10276 11236 11752 10770 9914 11213 10199 12461 10908 8782 8256 7534 7639 7744 8478 7079 8469 10980 11124 11725 11162 11855 11254 10407 10349 Cortisol Cortisol 3754 3285 3543 4605 3770 3579 3257 3761 4063 4115 4403 4112 4581 4488 3697 3536 3420 5581 5170 5336 5491 4841 4129 3742 5440 4864 4396 3970 3925 3833 5064 5441 Coumarate cis-p-Coumaric acid 43584 58134 60044 73169 77255 95503 92004 49740 42520 40511 44832 39227 43560 44006 42092 38005 43283 44982 50692 44509 45285 45613 45465 39294 44441 41079 39666 44448 47283 43437 45104 41550 CTP CTP 4478 4872 5039 4626 4616 4154 4616 5038 5206 4913 4855 5041 5601 5356 5425 5725 4353 3773 3782 3892 3736 4009 4004 4299 4587 4624 4905 4579 4822 4464 4910 4707 Cycloheptanecarboxylic acid Cycloheptanecarboxylic acid 26958 27349 27212 24410 26399 30235 29521 25755 30550 26267 32951 27127 29314 33681 31344 28340 28329 31563 33509 27236 27883 31461 34274 31309 31462 33635 29854 26382 28837 29554 30032 28286 Cys-Gly Cys-Gly 24014 22077 20357 25121 24352 30957 27316 24153 24500 22207 21154 22788 22135 22613 19153 18005 20300 19145 20654 20882 19974 22149 21096 20823 22757 18859 18402 22794 23765 22120 18412 22490 Cysteic acid Cysteic acid 6703 9143 7642 6036 5724 4637 5657 5808 8002 9196 8984 9517 8823 6729 6434 7655 9649 5961 6301 8258 5876 12638 9846 7120 6591 6294 18380 21134 7197 5980 6239 5988 D-2-Hydroxyisocaproate D-Leucic acid 26991 23097 22970 23563 24455 26322 27115 23414 25931 20860 26957 23655 22295 21982 22350 21511 25269 30246 28577 30348 29146 26197 27975 23126 26623 25485 25507 21939 25814 25715 22700 26033 Decanoic acid (FA10:0) Capric acid 107136 119857 132509 114733 107817 105548 109990 108043 107808 99127 130160 134731 110794 101986 104582 103099 131997 131929 127769 136364 128194 93900 94821 119060 106258 112289 109123 114116 113779 112462 108856 111576 Deoxycholic acid 3-glucuronide Deoxycholic acid 3-glucuronide 1425 1400 1384 2491 2437 1587 1641 1426 1862 1858 2131 1995 2942 2694 1435 1405 1492 3607 3573 2772 2887 2652 2661 1325 2893 3160 1729 1731 1348 1186 3295 3309 Deoxyhexose Fucose 40260 46407 43509 45947 48061 47275 48581 41348 46400 46959 44838 48210 44814 49570 46606 47804 42011 47897 41571 43298 46556 46317 44345 46747 41323 44400 41383 40512 48197 41401 42775 47037 Deoxyribose 2-Deoxyribose 52157 47043 49890 54347 54783 60306 53329 50980 31443 26969 24794 27555 25824 28182 27013 28194 41890 45469 41239 45203 43797 39558 43720 44787 26568 26534 29081 24851 33213 28341 30644 27187 D-Glyceric acid Glyceric acid 4175 6377 7197 7708 9339 9256 7217 5926 4673 7316 9977 7665 6185 6504 3994 6144 7375 6255 7084 8435 8387 6719 8051 5481 6459 6185 6838 5445 5971 6615 6549 6908 Dihydrouracil Dihydrouracil 24854 24715 22325 23520 24046 26559 22806 20419 19737 21234 23656 21452 20813 22686 22149 22613 23412 26341 23501 24002 22445 24182 23648 20302 23328 20460 24756 22038 26242 21706 24210 24789 Disaccharide 66339 162920 155883 230988 225230 420139 397841 67976 14954 16644 22122 20361 15810 15519 13987 15216 15460 13733 11661 26752 25261 13259 13083 16105 15954 15421 20179 19220 16490 15808 15668 16987 Dodecanoic acid (FA12:0) Lauric acid 156288 165178 173026 155368 160059 161069 163164 164245 151806 153183 157677 165368 152193 149390 158421 151062 190311 183150 180903 179161 184842 167521 158905 186642 167358 173569 162025 164797 172895 173980 161471 166786 dTDP-hexose 3660 3316 3596 3400 3324 3873 3663 3844 3571 3127 3239 3245 3085 3124 3784 3635 2679 2227 2450 2164 2444 2399 2282 2301 2995 3371 2928 2900 3329 3422 3299 3172 Dyspropterin 29727 52953 57286 53619 51561 22784 23937 27293 21289 19823 60788 58235 25943 28036 18786 18630 64935 65002 66750 61886 60409 20445 18658 65881 16490 18433 30912 31440 18888 17475 20459 20320 Eicosapentaenoic acid Eicosapentaenoic acid 30762 31051 30716 34707 34242 31377 28150 33013 33201 36682 37653 36529 37138 34944 35215 34495 23033 30636 29163 27620 26830 28265 31037 26000 35296 34694 31976 31693 30779 30836 73531 70668 Estrone glucuronide Estrone 3-glucuronide 2542 3019 2818 3635 3270 2238 2280 2507 2966 2954 3228 2929 5000 4119 2634 2661 2642 5131 4654 4551 4070 3874 3361 2693 4502 4620 2905 3329 3376 3034 3022 3268 Ethanolamine phosphate Phosphoethanolamine 425096 420031 409909 424914 411249 423405 421800 439167 425025 424222 427309 415717 452052 424271 442574 442322 317012 327641 305388 313359 310410 321848 333843 309366 398982 418038 422027 426316 438304 448715 453202 429413 Ethylene glycol Ethylene glycol 3386 4013 4195 4054 3731 3044 3449 4395 4816 4160 4747 4920 3480 5822 5398 3364 4169 3851 4133 4051 3092 4325 3963 3250 3285 4170 4735 3992 2337 4171 3864 4006 Fumarate Fumaric acid 155015 138948 142944 145157 143971 152517 152066 154319 128071 137958 133002 122049 121125 121559 144895 143510 118242 118954 115055 109365 115579 111481 111785 123314 126740 130768 134925 137054 150253 140959 137741 138037 GDP GDP 13054 12205 12097 12310 11720 12268 11543 12476 14765 14449 12527 11983 13814 12961 14675 14745 11851 9853 10035 9026 9125 9827 10129 11927 13091 12554 11390 10828 12343 11532 11997 11535 GDP-L-fucose GDP-L-fucose 2448 2486 2447 2403 2108 2109 2370 2388 2473 2450 2394 2269 2532 2484 2243 2482 1788 1787 1812 1920 1808 1898 1701 1955 2200 2265 2365 2125 2770 2373 2437 2335 Glucosylceramide (d18:1/16:0) 5635 7734 7201 5188 5465 4899 4426 5396 4768 4514 5516 5385 5390 5167 5304 5029 5187 4013 3718 4957 4989 4814 4644 5204 4642 4273 4482 4405 3514 3294 4205 3924 Glutamate Glutamic acid 2028703 1922487 1925574 1869421 1897513 1888120 1844386 2068109 1861286 1874352 1765549 1790934 1780900 1756680 1928996 1928756 1555989 1441186 1424463 1411419 1421116 1457169 1487196 1569662 1853337 1853355 1776831 1703431 1897100 1875341 1707480 1718111 Glutamine Glutamine 5487813 5058189 5119385 4985380 4976158 5024596 5047318 5554140 3881560 3911283 3686500 3714014 3687490 3676487 3989454 3887409 4296205 4042029 3964889 3857737 3843044 4013633 4097388 4260437 3436312 3539269 3417218 3358261 3662892 3629711 3356074 3345226 Glutathione Glutathione 1229804 1021943 1034874 1041129 1018213 1032438 996286 1276527 1204484 1199699 1107023 1069185 1129241 1105394 1199131 1187142 849761 766364 756330 738675 714298 779279 753762 861814 1087258 1071388 1037556 1011819 1131945 1076689 1010854 998326 Glycerophosphocholine sn-Glycero-3-phosphocholine 60303 56994 53598 50762 53275 52992 52735 60148 46866 50385 45799 48060 48267 48769 50189 50827 48045 46617 47105 46447 43970 46202 44308 46501 48722 46744 46570 46813 47627 48710 43915 46751 Glycerylphosphorylethanolamine sn-Glycero-3-phosphoethanolamine 766762 722378 714968 709115 711413 697042 684067 778577 680675 668148 642368 628901 662248 655059 703947 687285 465008 463393 455587 441469 435634 457519 461244 480272 652611 675811 623417 619690 655964 649259 627227 619171 Glycine Glycine 55246 47976 55302 57774 53796 58615 59030 61322 40872 39036 42184 37304 32330 41813 36071 36740 73117 74560 67251 69066 72428 65723 64107 71330 40966 41765 40010 38933 47836 51073 42770 40591 Glycolate Glycolic acid 3707 3674 4958 3878 4341 4703 6588 5881 4078 3846 5828 5276 5582 4592 3845 5102 3325 4629 3948 4359 4729 3573 3920 3059 4883 3639 3312 3130 4123 5730 4704 4668 Glyoxylic acid Glyoxylic acid 4750 3056 5328 4947 4394 3975 4152 5556 5227 3959 4684 5605 6582 6451 5850 3241 5213 5842 5422 4395 5066 5515 5067 5264 5374 4473 8170 4915 6777 7162 6555 5295 GMP GMP 7081 6695 6820 6807 6485 6487 6610 7999 8101 8095 7712 7375 7707 7112 8385 8411 6196 6308 5545 5632 5339 5321 5714 6399 7424 7100 6290 6093 7725 7142 6520 6266 GTP GTP 10809 10498 10274 10333 9918 9695 9556 10105 11624 11152 11252 10363 12374 11415 12946 12645 9404 8228 7825 8236 7503 8830 8800 9513 10410 9817 9900 9481 10295 10263 9974 9932 Guanosine Guanosine 13123 13643 12550 12571 13700 12204 12519 14211 16128 18059 17118 15496 16613 16551 17087 17284 13109 12452 13559 11786 12470 13139 12466 13627 16506 14112 15258 15099 16207 15440 14638 15896 Hexonic acid Gluconic acid 454187 384523 402426 375580 388001 388399 377872 478402 461357 481253 431862 434792 435594 426353 509429 500947 379208 320240 333514 321847 315325 339092 351228 389449 425996 439474 420125 422319 483797 478712 411382 409791 Hexosamine Glucosamine 13519 20086 18739 23947 24831 47375 44414 13408 11556 12040 11598 10558 10749 12703 11277 9985 10062 12661 11541 11006 11837 10732 13472 9669 11635 11471 11551 13967 11755 12527 9783 9847 Hexose Hexose 1145019 1042463 1017250 1037930 1027157 986997 991303 1161718 1492161 1480730 1324595 1359281 1409272 1369856 1488735 1429846 866232 808893 811800 770449 766234 803791 784965 858352 1469014 1473427 1377567 1332269 1468273 1452523 1380809 1401634 Hexuronic acid; Ascorbate Hexuronic acid 14742 15240 15335 18036 16976 17836 14755 13608 12876 11924 17224 14435 13396 15215 11410 11959 15180 14908 14759 19343 14274 21412 17067 16133 13107 14503 17099 15573 14093 12898 12790 12282 Histidine Histidine 461484 421480 437064 409908 409025 401955 398363 479719 166118 170306 158589 164250 159392 146350 155480 163538 707947 624897 615547 641679 630747 673331 682675 680458 205934 214226 196546 193786 204141 197954 194954 190097 Hydroxybutanoic acid 10708 8884 9390 7669 8680 8170 9330 7408 7157 8753 7377 6681 7088 6912 8298 6497 8926 8183 10177 9844 8479 9867 8429 8097 7342 10123 10091 7097 7958 7899 8643 7166 Hydroxyglutarate 2-Hydroxyglutaric acid 133687 107216 110867 119346 110218 121787 122014 126649 100243 107370 101607 104873 103233 98610 101300 104653 117401 109603 113804 104754 102359 105637 105555 114691 102785 101778 100556 95704 106896 109010 92739 96145 Hypotaurine Hypotaurine 3837 4898 5071 3508 5474 4460 5217 4419 8933 5950 6543 5668 7023 4814 7664 6033 3206 1955 2884 1760 2847 2946 2188 2245 4757 6136 5752 5911 6932 4935 4183 5297 Hypoxanthine Hypoxanthine 141768 141344 129875 137440 141522 132824 138446 141537 105151 109790 109272 99807 102577 101476 116263 106434 135527 123539 120642 115789 120567 123142 129550 129693 113083 115115 113430 110687 135503 128440 110784 122734 Indole-5_6-quinone Indole-5,6-quinone 77332 71796 80151 70793 76894 80546 78276 83216 70301 64443 69027 72668 70836 67287 69214 74602 74888 75775 72398 73765 66635 80464 73328 72674 64578 69522 62239 69711 76921 67209 69172 69056 Indoleacetaldehyde Indoleacetaldehyde 17666 16991 18599 16567 14808 16291 20018 17141 14042 12687 14206 12610 11933 12366 14417 11934 23136 19900 22654 20699 23770 24021 22383 18037 11509 12052 14140 15422 12978 9459 13392 12620 (Iso)Citrate Isocitric acid 3061947 2632435 2652566 2534917 2525055 2546027 2528209 3117674 3403194 3417223 3270487 3266733 3286520 3224767 3803872 3591993 2758703 2325764 2265367 2208619 2161871 2466663 2468290 2801518 2799100 2833872 2936794 2863651 3336834 3243529 2829060 2871050 (Iso)Leucine Isoleucine 987950 954874 938969 973436 947718 960627 978955 1020069 406776 415797 417501 415089 393727 403135 423562 427416 1160247 1150115 1095224 1160273 1128988 1176450 1152771 1153185 446894 448345 432229 452536 458650 457763 424863 438829 Itaconate Itaconic acid 76885 76404 75662 87812 84518 86527 86543 90727 88293 86449 87964 90904 82443 92786 86012 98117 75037 81367 77578 69589 77204 72542 75005 72853 81203 84932 86945 79549 87638 92036 83238 86201 Ketovaline Ketoisovaleric acid 72285 71087 72990 105901 114012 54404 62630 78710 81607 89188 77825 83747 122734 131611 72560 68524 70996 135966 144966 101034 109489 85050 86018 67334 128486 119400 78457 69093 71099 71124 77030 77520 L-Acetylcarnitine CAR 2:0 23530 18633 19888 18895 18710 22390 22554 22371 8507 8218 10421 13666 9169 8889 10311 10097 27240 27070 27394 28508 25676 32304 28015 29518 10051 9442 10787 15954 11534 11373 8591 10898 Lactate Lactic acid 76549 74912 79420 80387 89110 76626 79775 79921 66476 62769 68951 66929 70259 61964 65122 68776 70899 74352 67909 68940 64891 70317 69798 73588 65689 62661 64904 62650 71005 74284 66971 61264 L-Cystathionine Cystathionine 19413 17587 18027 17926 17752 20389 19634 20126 14239 13783 15095 14584 13231 13533 15101 15188 18870 19862 20575 19245 17420 20146 20302 18698 15216 15557 14886 14315 14518 13392 13088 14172 Leukotriene A4 LTA4 5903 5113 4889 7502 7879 6171 6571 6407 6356 7363 8446 8347 8381 7818 5683 6283 5627 10105 9675 9742 7985 8272 7535 5386 8357 8915 5898 6784 5788 5979 19534 19404 Leukotriene B4 LTB4 7033 22930 22183 10906 9990 7666 8519 7414 11078 10743 14436 13818 9937 9708 7758 6866 9495 14262 11742 12912 12658 12058 11505 10061 9675 10514 9716 9751 7518 7301 25910 25469 Lipoamide Lipoamide 32412 29081 27453 29083 28546 30876 28290 32366 34979 35524 34830 33335 32302 29352 37232 34582 25742 23033 24896 24034 21678 24117 22298 26378 23034 30510 27456 27384 26851 28950 25881 25548 LPA(0:0/18:1(9Z)) LPA 0:0/18:1(9Z) 6009 6167 6614 6808 6434 6052 6245 6661 9230 8926 8359 7967 8363 8686 8834 8436 6185 6497 6857 6706 6871 6203 6623 5985 8140 8316 8111 7347 7468 7871 7757 7607 Lysine Lysine 440454 400227 418139 405902 419037 399718 421962 427950 358704 371320 366898 369935 367266 375911 388060 403860 382736 371933 380530 369021 380870 400515 405652 379624 348348 369297 360370 356879 386460 393237 381135 388696 LysoPC(15:0) LPC 15:0 106721 125491 122432 119336 114474 100297 99797 107264 146304 143318 129006 124234 166990 163796 159583 158096 89485 78683 76779 79541 79091 103409 99950 91344 133197 129204 124416 119220 117976 114786 122765 122223 LysoPC(16:0) LPC 16:0 2877 3639 3344 2961 3073 2841 2703 3020 3680 3663 3688 3780 4150 3864 4430 3969 2816 2754 2898 2996 2889 2775 2866 2709 3816 3371 3401 3336 3219 3504 3837 3440 LysoPC(17:0) LPC 17:0 20961 20987 21390 22063 21552 21447 20220 20052 27717 26638 27234 26858 30899 29586 29961 29987 17358 15962 16162 16994 17036 17346 17244 18101 25369 23493 24268 22223 24654 23333 24635 24653 Malate Malic acid 1001950 882193 894522 894172 889185 918013 939106 995182 731044 730253 728501 699780 702713 696146 780839 737206 738488 693612 677125 683200 674039 702048 715484 756531 717668 717512 756826 744786 820025 836950 784123 771295 Mercaptopyruvic acid Mercaptopyruvic acid 33551 34610 36947 35399 35604 30383 35256 37526 39293 35884 41887 41954 36873 36501 36138 37080 34412 30247 30706 34448 29767 35503 33333 32255 35483 37149 32745 30874 38303 33999 41275 35219 Methionine Methionine 46937 44716 48742 45071 49201 47093 43687 50768 22477 24955 26237 27753 25001 26271 24831 24023 50307 48174 46070 41084 45270 46901 45819 44392 27432 29509 23943 25715 26525 26236 24016 24260 Methyl-Tyr 16637 15163 14338 14091 14664 15334 13656 14811 17028 14387 16795 17441 14480 15221 14924 13558 16333 14829 16073 19085 18599 18607 19096 15496 16871 16407 15446 16821 16814 17158 17057 17106 Mevalonate Mevalonic acid 54720 51278 54129 46277 53229 54601 51961 60594 46074 47747 44533 44229 42375 37517 47510 38715 44937 51271 43226 41773 40797 47623 52000 50625 44208 42887 43911 43695 44262 45600 43811 41397 N-Acetylaspartylglutamic acid N-Acetyl-Asp-Glu 29519 26301 24856 24101 24312 26742 23333 29887 32239 31191 30018 32229 28489 28327 32978 32258 25193 23956 21621 22083 20815 22781 21301 24828 25373 25404 27089 24933 28218 28079 24472 22906 N-Acetylgalactosamine N-Acetylgalactosamine 7747 17844 17566 15271 16093 9116 8077 8331 6114 4990 14403 17667 7241 7387 4528 3952 18132 18120 18973 15831 15603 6281 7973 19410 5213 4939 8493 8742 4939 5563 4896 5667 N-Acetylimidazole N-Acetylimidazole 54016 51284 53404 56305 50778 44770 52125 54900 46040 46442 46822 42960 44063 42100 49845 45926 42576 42310 47180 43233 46034 47274 43541 47547 37797 45165 45545 46621 44760 41673 36960 37648 Nicotinamide Niacinamide 185626 173640 175355 178141 173757 178941 182164 178341 161959 159436 165706 159890 153722 163043 167177 160028 156496 140698 143594 147328 144283 141377 148930 148633 139243 144935 143848 140141 154692 145160 147863 153810 Octanoic acid Caprylic acid 70420 98752 101324 81828 82848 68962 66519 73972 74065 71518 84350 89955 79351 82555 76476 74540 97179 107337 91426 82266 84643 75026 75937 88692 83985 90706 85941 76803 79475 79163 81506 77261 Ornithine Ornithine 630850 608339 605529 614998 613670 577039 620086 629651 382826 377360 378883 387471 378797 387701 378269 384224 745921 695142 720534 713507 727252 775906 785923 731630 382388 389548 398484 407730 403294 409786 386894 410645 Orotidylic acid Orotidylic acid 3789 3635 3845 4236 4286 5585 5173 4407 4098 3996 3492 3198 3596 3761 4010 3810 3039 2783 3044 2136 2879 2370 3198 2794 3585 3207 3721 3280 3648 3885 3219 3245 Oxalosuccinic acid Oxalosuccinic acid 15956 14179 12756 13847 12093 11930 11923 14885 12158 9737 9229 9841 10752 9306 10935 9561 15330 14636 13903 12854 12851 14846 14118 12195 11009 10034 11961 10152 12501 11954 10919 12102 Oxidized glutathione Oxidized glutathione 10216 10450 10951 10789 9881 11050 11353 11354 9627 8997 9715 9338 9019 8931 10875 9742 9870 9092 9106 8676 8743 9428 8846 9879 8254 8035 8066 8213 9500 8655 8256 7992 Oxitriptan 5-Hydroxy-tryptophan 22879 22476 22490 23345 21323 23414 23825 25478 13587 13906 12744 12788 12858 12846 14411 13379 26340 23774 24485 24654 21761 24340 23348 26186 14698 13406 12839 12630 12961 14008 14257 14332 Oxobutanoic acid 9479 7416 7267 7394 11572 8227 10349 10709 11479 11851 8513 7633 10592 9363 11570 11138 7338 9050 14347 8719 10436 11033 10982 10665 10654 9099 10900 10287 7539 10784 10842 8699 Oxoproline Oxoproline 8114702 7446475 7555220 7551893 7568972 7713620 7660008 8169876 4903422 4932609 4944394 4870469 4804527 4679170 5190485 5097984 9186688 8800782 8722773 8639784 8661743 8959544 8974752 9140163 4628738 4762353 4844330 4753493 5186871 5168993 4841204 4812491 PA(16:0/18:1(11Z)) PA 16:0/18:1(11Z) 5780 6333 6302 5440 5062 4942 5012 5776 6347 5942 6143 5744 7086 6630 6734 6412 5719 5045 4770 5537 5566 5784 5746 5918 5901 5885 5491 5711 5547 4933 5734 5891 Palmitaldehyde Palmitaldehyde 13886 13511 15317 13801 16055 14268 15426 15496 14009 15177 13584 13145 14441 14459 14262 15373 14396 12032 11745 13081 13449 14312 13252 13910 11644 11042 13222 12225 11865 13777 10731 13900 Palmitoleic acid Palmitoleic acid 323092 243979 242881 209907 223659 203521 206717 312871 287766 302988 204356 209771 209533 214584 214413 214829 412263 306368 308477 278910 283498 269284 272486 425310 406711 410019 273772 276930 283751 280801 261655 258935 Pantothenic acid Pantothenic acid 1125860 931539 976819 970995 948616 1050273 1040454 1143365 1078576 1086567 994183 991768 936394 943536 1063342 1061859 860948 721972 737807 660712 650601 690170 682511 893030 1007794 1030656 906545 890131 1049099 1042171 885829 879375 PC(14:0/15:0) PC 14:0/15:0 5637 6244 5778 5342 5231 4371 4096 5356 5503 4997 4267 4277 6159 6447 5750 5191 5102 3778 3805 5108 4956 5754 5591 5373 5456 5621 5415 4787 3371 3765 5072 4423 PC(14:0/18:1(11Z)) PC 14:0/18:1(11Z) 6161 6652 6393 6275 5711 5453 5127 5537 5692 5487 5355 5271 6159 6421 5906 6229 6391 4914 5069 5399 5996 5980 5952 6016 5394 5645 5476 5663 4710 5036 5652 5442 PC(14:0/18:2(9Z_12Z)) PC 14:0/18:2(9Z,12Z) 6020 9944 9161 8131 7372 6133 5844 5748 5643 5884 7946 7286 6461 6219 5580 5762 7626 6054 5828 8034 7696 4979 4912 8268 5382 5481 6092 5956 4799 4944 5353 5391 PC(14:0/20:2(11Z_14Z)) PC 14:0/20:2(11Z,14Z) 5924 6594 5764 5921 5840 5801 6292 5883 6123 5676 6029 5585 6102 5809 6093 5841 4798 4650 4825 4814 4928 4982 4910 4916 5320 5389 5378 5087 5133 4739 5200 5197 PC(14:0/20:3(5Z_8Z_11Z)) PC 14:0/20:3(5Z,8Z,11Z) 6826 7798 7210 6489 6684 6934 6599 6817 6800 6244 5874 6375 7305 7525 7204 6688 5578 4848 4762 5473 5317 6138 5947 5877 6318 6467 6386 6036 5169 5248 5983 6383 PC(14:0/P-18:1(11Z)) 7698 9048 8724 7393 6822 6843 6438 7991 7498 7773 6699 7214 8187 7977 8133 8064 7098 6004 5694 6813 6683 7534 6944 7488 6937 7553 6811 7188 5868 6198 6687 6590 PC(14:1(9Z)/22:2(13Z_16Z)) PC 14:1(9Z)/22:2(13Z,16Z) 4988 4961 4777 4306 5055 4725 4896 4846 4561 4789 4726 4593 4569 4770 5170 5322 4255 4124 3452 4020 4299 4333 3918 4314 4517 4457 4621 4462 4538 4261 4280 4723 PC(14:1(9Z)/P-18:1(11Z)) 4643 8407 8841 5142 5353 4696 4689 4386 3770 4149 6852 7229 4183 4521 4018 3538 5722 4694 4370 6072 6442 3133 3054 5973 3572 3438 4159 3694 3350 3409 3773 3279 PC(15:0/18:3(6Z_9Z_12Z)) PC 15:0/18:3(6Z,9Z,12Z) 102884 104066 101664 95682 96081 102694 101343 105856 106724 102040 101251 98297 102889 98127 109421 106122 84778 79941 78670 79121 77763 81734 77912 87011 93283 90122 91430 88927 92887 89083 92757 92119 PC(15:0/18:4(6Z_9Z_12Z_15Z)) PC 15:0/18:4(6Z,9Z,12Z,15Z) 46725 47653 48098 42100 41517 42011 41787 48337 47421 48040 43389 43149 47655 47018 51049 50320 46593 39626 39376 40463 39590 41577 41658 47354 46685 44147 41667 42169 42800 40356 41385 42365 PC(15:0/22:6(4Z_7Z_10Z_13Z_16Z_19Z)) PC 15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z) 37636 42579 40580 35354 34336 32833 33235 38458 42601 41471 37222 35995 45546 44000 42599 42271 33495 27511 27013 29642 28251 34183 33707 33962 37442 37138 35217 35310 32200 31191 35308 35118 PC(18:4(6Z_9Z_12Z_15Z)/P-16:0) 41988 44198 43438 36930 34837 35881 35360 43293 41861 41186 37856 36686 41541 40390 46106 45827 32057 25793 25882 27380 27258 29997 29020 32664 35100 33881 35980 34906 33192 32473 34754 33185 PC(22:0/P-18:1(11Z)) 4085 4081 4385 3586 3757 3384 3352 3978 4045 4371 3690 3455 4637 4655 4275 4435 4083 3242 3282 3334 3698 4351 4210 4249 4463 4179 4008 4103 3223 3111 3793 3834 PE(14:0/18:2(9Z_12Z)) PE 14:0/18:2(9Z,12Z) 4114 3672 3480 2156 2855 2365 2236 4095 4544 4419 2465 2435 2020 2406 2028 1869 6439 3927 3968 3471 3433 2884 3130 7762 6126 5853 2480 2788 2299 2495 2487 2701 PE(14:0/20:3(5Z_8Z_11Z)) PE 14:0/20:3(5Z,8Z,11Z) 3614 3762 3821 3573 3585 3992 3668 3532 3816 3928 3708 3504 3971 3404 3572 3780 3609 3212 3107 3684 3329 3130 3511 3549 3819 3854 3442 3393 3168 3213 3646 3445 PE(14:0/22:5(4Z_7Z_10Z_13Z_16Z)) PE 14:0/22:5(4Z,7Z,10Z,13Z,16Z) 6688 7032 6459 5590 6073 5431 5723 6573 6634 6530 5421 5161 6032 6027 5373 5940 6463 4869 4710 4946 4937 5766 5524 7043 6523 6454 5546 5418 5055 5231 5287 5375 PE(14:0/P-18:0) 4852 5159 4448 4123 3926 3635 3639 4247 4841 4347 4142 4011 4953 5104 4423 4488 4882 3410 3452 4462 4321 5520 5162 4874 4583 4373 4214 4196 3261 3031 4136 4120 PE(16:0/22:6(4Z_7Z_10Z_13Z_16Z_19Z)) PE 16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z) 17351 19586 18337 16229 15833 15219 15838 18035 18675 18289 16814 16024 18575 18540 18531 19422 16486 14511 14380 14244 14332 15817 15206 18097 18358 17977 16498 15997 15487 15413 16321 16888 PE(18:3(6Z_9Z_12Z)/P-18:1(11Z)) 409758 409519 398976 362068 350036 383382 376194 415455 435218 428382 414391 397900 414783 402669 475601 463746 330961 289664 279732 282437 274907 285543 276557 334468 370767 359987 369093 353079 364122 347535 356992 350475 Pentose Galacturonic acid 22955 18039 17047 20260 20144 18480 17952 19207 16068 14358 12265 14809 11888 13839 15677 14518 18989 17544 19181 15732 19005 15032 19194 17739 12160 16902 18102 17220 16769 17736 14545 14906 Perillyl aldehyde Perillyl aldehyde 15131 12802 16932 20262 16632 15619 14376 17257 17526 18948 18889 17267 19363 20324 16559 15210 16058 20516 22277 17704 19070 20053 18665 15253 19997 21908 14560 16714 17572 15712 21364 20075 Phenylacetaldehyde Phenylacetaldehyde 89110 130838 134359 147623 145233 109313 103774 96275 76043 76502 71455 65603 86757 89406 61356 63248 88898 99428 87116 112743 124025 73963 74497 92934 79889 81729 65706 66617 99798 100555 66276 62719 Phenyl acetate Phenyl acetate 375626 378364 384359 385568 383248 348644 351100 384160 411542 402390 383186 383860 421394 409044 398915 413021 407902 418675 398043 417137 421912 401485 392422 403111 411051 423259 387682 379522 427977 414713 405211 431717 Phenylacetylglycine Phenylacetylglycine 56478 53605 50520 56240 56652 57786 57236 61437 44749 42981 42391 45240 47947 42681 50475 49139 46399 41782 40692 43538 38290 43607 40498 44370 41236 46393 44881 45202 54971 49020 51077 44621 Phenylalanine Phenylalanine 389674 386561 378388 354716 375704 368241 360660 400127 157989 159410 156333 160001 157954 150752 154875 154502 492378 474039 480928 459782 461569 470419 471709 491095 172254 178546 157927 159561 163572 163019 161258 157400 Phosphocreatine Phosphocreatine 22673 22347 23773 23413 23912 23158 23462 26631 26857 26028 24155 24955 23728 22904 25387 25732 18715 18274 17126 18049 17891 17765 17044 20536 24517 24605 23566 24576 26207 24677 22413 23967 Phosphoserine Phosphoserine 60924 55139 55670 66371 57923 61589 58207 63208 59747 59961 49635 52575 54202 54850 56613 58461 42560 35575 34991 32882 34954 37667 37771 35682 53704 51792 50995 47513 50378 52034 52138 46102 p-Hydroxyphenylacetic acid 4-Hydroxyphenylacetic acid 67433 75246 73380 76279 77615 65851 66178 69932 65259 58576 64539 75402 69759 74771 60705 65599 74988 92205 92990 81389 81617 73429 76760 76098 72148 73567 66973 67854 64293 74367 63329 66098 Pregnanediol-3-glucuronide Pregnanediol-3-glucuronide 2121 1970 1844 2500 2543 1864 1690 1750 1974 2414 2408 2355 3241 2921 2049 1534 1958 3647 3630 3201 3191 2851 3041 2443 3005 3174 2159 2150 1922 2078 4012 3568 Proline Proline 411294 406037 396802 423071 412765 415703 417090 416581 410968 409712 401756 395338 396037 389024 436904 416964 356746 382203 383477 352389 374601 356539 372907 365109 377373 384164 382331 379725 407939 403742 384420 385469 Propenoic acid C3:1 Pyruvaldehyde 27744 30771 29902 33936 29508 29636 31334 34540 30630 28618 33540 30895 26018 28996 33199 28208 24719 26847 25909 34747 25242 28255 29058 30553 27728 28727 31855 28892 30326 29797 32619 29907 Propylhydroxypentanoic acid 18903 21950 18821 16878 20340 17785 14764 20802 18741 20443 22026 21848 20511 20327 19583 19243 18831 25421 22427 21091 26660 20018 22226 19228 19990 20557 16398 19275 17564 25065 19238 21649 Prostaglandin E2 PGE2 24436 34751 33216 57871 56289 86775 81970 26192 18699 18436 19836 18320 18910 19029 17842 16797 21438 22856 22604 22126 22048 21212 20797 21368 19792 20091 23300 22283 18214 17381 27950 28361 Prostaglandin G2 PGG2 7657 6670 7190 10851 10403 7184 7242 7730 8287 9183 8795 9212 11031 11037 6707 6654 8475 13545 13485 11032 11500 11141 10425 8351 12302 11510 10838 10208 8335 8267 15235 15317 Pyridoxal Pyridoxal 16581 16608 13855 18800 13105 18799 14559 14016 11205 14288 12956 14868 13520 12874 11106 15228 15405 17315 14202 14644 14401 15373 17244 14765 13767 16677 13545 15656 12625 13874 14027 15666 Pyrroline carboxylic acid Pyrrolinecarboxylic acid 47524 44601 42445 52177 41719 48591 41288 44011 43777 44077 49979 40616 40775 48996 50819 45612 36779 38274 38466 33442 39962 40565 42531 38720 38225 34686 44899 43398 48275 48759 47991 43056 Pyruvate Pyruvic acid 26992 20749 19773 25423 23696 23714 22726 24912 20809 24762 23340 21806 27493 25974 22061 20410 19223 24920 25925 24082 22513 24740 26079 20513 28800 29243 20411 24426 23829 27995 20687 23562 Retinoyl b-glucuronide Retinoyl beta-glucuronide 3253 3207 3201 4518 4424 3824 3576 3570 3955 3914 3682 3968 4751 5173 3266 3137 3494 5765 5428 4609 4660 4431 4119 3040 5323 4448 3855 3799 3936 3503 4529 4437 Serine Serine 127868 117682 120771 111459 119313 113045 111267 124199 27008 32068 30017 29300 34007 31850 22899 28078 237347 234864 226575 231023 227693 237315 242549 232910 43284 41696 50475 49001 45568 49166 45339 47921 Sphinganine Sphinganine 4694 6128 6360 2749 3232 6094 6064 4732 3462 3045 6589 6055 4820 4155 4081 4218 3091 6898 6877 7147 7609 4116 4471 3481 6525 5886 2449 2897 5735 5099 7097 7615 Stachyose Stachyose 3313 3218 2859 2723 2865 2950 2948 3124 4080 3949 4173 3856 4036 3987 3636 4453 2385 2258 2456 2645 2237 2350 2230 2411 3085 3256 2724 2665 2984 2720 2667 2567 Succinate Succinic acid 127674 135076 134468 111291 126367 129216 128806 121233 109615 107644 111676 111609 112392 100570 93581 101256 127592 144652 147383 138605 129346 114767 120488 125999 143944 136970 123111 122705 120206 123492 120938 129695 Taurine Taurine 1516231 1405728 1453768 1442351 1407105 1413645 1401562 1557514 1388379 1408361 1359994 1418628 1391313 1339377 1411835 1415588 1202721 1115196 1118534 1068732 1076411 1117202 1134616 1183695 1385920 1406885 1350721 1328416 1494021 1492165 1392933 1360931 Testosterone glucuronide Testosterone glucuronide 2262 1887 1882 3940 3574 2024 2015 2265 2476 2406 2585 2378 4066 4690 1742 1624 2313 5286 5318 3829 3527 3299 3768 2130 4708 4629 2609 2693 1779 2020 3369 3611 Threonine Threonine 83677 79137 78284 76441 73305 70738 72287 83531 42427 43017 37946 41508 38746 35678 39907 40937 114360 109775 117593 111035 107883 112634 127248 117156 53961 47907 51102 52227 51440 50992 48612 43803 Thymine Thymine 26015 23849 27889 26614 28757 25214 24703 27956 25873 25458 25123 26600 25249 24416 29300 29621 25195 26345 25617 23467 24779 24024 25282 25226 25047 27030 27351 29285 26314 25301 25750 27465 Triose 14485 13546 13274 14195 13166 14000 13700 14617 16243 15902 15098 15084 15925 15588 16677 16299 10713 11409 11397 10582 9951 10108 9825 11010 16191 15855 15177 14262 15960 14876 14787 14771 Tryptophan Tryptophan 69437 62095 63676 66587 65452 63829 66413 73930 32918 35528 31988 30747 33089 35376 35453 32662 103230 95857 93944 94960 92734 100356 98491 100510 37953 35347 36493 34469 36873 37350 34826 35311 Tyrosine Tyrosine 305194 273730 274390 282772 279915 270650 269411 307122 140078 144946 128632 138907 134063 133871 137024 141947 386341 364729 350699 355054 347203 362701 362524 382383 157725 154681 137352 142159 149848 151380 140020 145850 Ubiquinone-1 Ubiquinone-1 21738 21028 20024 23535 24477 20312 20852 21488 23301 25626 24330 22476 26669 27781 19128 18529 22539 31334 30351 24881 25921 28172 25628 22460 27187 29645 22335 20960 20597 21133 23896 23815 UDP UDP 11971 11413 11105 11325 10938 11110 10966 12466 13002 12485 11830 11412 12948 11619 13221 12990 9483 8727 7904 8571 7902 7976 8353 9607 10968 10249 10463 10506 11227 11173 10226 9832 UDP-acetyl-hexosamine 30337 27563 27638 26734 24979 28532 27366 30259 28571 29143 28206 27356 27034 26318 30124 28608 19729 19350 18508 17792 17439 18275 17318 20522 25085 24912 25485 24495 28331 26490 26528 25004 UDP-hexose UDP-hexose 7809 7754 7101 7095 7034 8076 7610 8178 8747 8527 8193 8080 8288 8089 8427 8700 6296 5290 5617 5417 5375 5334 4897 6289 8411 7451 7301 7495 7772 7703 7994 7408 UMP UMP 8344 7803 6842 6887 7366 7493 7621 8937 9494 8041 7931 7914 8986 7496 8667 8168 8346 7318 7414 5843 6638 6385 6384 8704 8541 8295 6841 7044 9036 6982 7892 7322 Uracil Uracil 45897 51066 42760 45608 47189 46271 42248 43724 47744 47977 47782 43827 43775 44379 47541 42979 43035 42506 42542 40838 39114 42412 39013 39446 42972 41064 42293 40624 48483 48006 44215 41946 Urate Uric acid 59713 49692 51106 51148 50173 47228 48863 59167 61482 68660 58159 61963 52260 56349 61312 57226 66806 48155 53821 52383 57421 50402 50667 70817 48964 54453 54238 53502 45313 48012 54296 53319 Uridine Uridine 49583 42073 41405 43635 42319 38883 43613 51149 43767 45535 43580 41976 45585 42906 47919 47442 41024 40183 36281 36570 36531 38796 39350 39823 43093 42168 38808 41978 44738 46324 41148 39906 Uridine diphosphate glucuronic acid UDP-glucuronic acid 2803 3081 2878 2940 2708 3070 3098 3265 3369 2830 2835 3029 3100 2993 3316 3175 2873 2545 2553 2441 2526 2532 2461 2745 2615 2774 3039 2812 2711 2857 2846 2866 UTP UTP 9064 8965 8492 8307 8639 8493 8638 9222 9713 9153 9019 8919 9200 9283 10222 10075 7366 7045 6812 6278 6035 7049 6636 8031 7597 8060 8799 7957 8089 7559 7857 7541 Valerolactone Glutaral 4339 5060 3966 9638 7013 4898 3202 4821 4755 6812 4964 5082 9326 6203 4421 4977 5826 11528 9854 7672 5766 5872 7021 3049 7919 8184 4820 4657 5235 5452 6490 6796 Valine; Betaine Valine 212506 202563 204762 214437 203946 209571 206183 210253 100531 97179 98413 96149 93236 100381 100884 96411 303830 300423 289218 289797 298100 305857 310282 289076 113340 118980 114255 104485 114800 108750 109578 114221 Vanillylmandelic acid Vanillylmandelic acid 11832 13686 14893 17885 13640 10723 12253 11075 13970 13297 13010 15115 14877 14191 10853 10587 11761 17191 18259 16751 16253 18458 15858 12358 15313 13216 13275 15981 13600 14607 13020 16612 Vitamin K1 2_3-epoxide Vitamin K1 2,3-epoxide 6655 32840 31134 15507 15215 12283 12319 6307 4000 4229 25303 24525 8864 8442 2819 3232 19072 17380 16494 20786 19783 2913 3048 19743 3168 3516 10512 10671 3700 3700 5705 5594 Xanthine Xanthine 189995 165634 165262 173816 172834 167378 167100 211592 103653 106417 102003 108156 100577 101792 110632 117813 277319 242730 246103 240286 247284 262452 257913 275198 120961 115795 117844 116364 125012 123642 115013 112173