metabolite_name Mouse 1 Mouse 2 Mouse 3 Mouse 4 Mouse 5 Mouse 6 Mouse 7 Mouse 8 Mouse 9 Mouse 10 Mouse 11 Mouse 12 Mouse 13 Mouse 14 Mouse 15 Mouse 16 Mouse 17 Mouse 18 Mouse 19 Mouse 20 Mouse 21 Mouse 22 Mouse 23 Mouse 24 Mouse 25 Mouse 26 Mouse 27 Mouse 28 Mouse 29 Mouse 30 Mouse 31 Mouse 32 1,2-dipalmitoylglycerol 32115 104256 68444 34632 43377 104095 34901 9795 21684 30564 25417 23701 16579 27453 60527 46547 38447 56808 128176 25690 32119 29190 1,2-propanediol 12867472 12873713 9711617 21399904 11232635 12916360 18082560 10673974 12990653 18935084 16568125 17469242 22406630 16997692 9911015 13158680 15387263 13666726 15543130 18473322 15856231 14651381 14077309 12310460 17142686 28190682 10809354 13972694 12075841 16872312 14237080 10425748 1-stearoylglycerol (18:0) 40480 38495 44369 44127 63075 23623 44731 31085 40927 38670 30712 37741 28910 72001 97851 40511 22207 32424 35390 34374 36146 33569 30976 47314 27965 69376 39278 33123 35754 38673 26455 34070 2-hydroxybutyrate (AHB) 1180853 1389260 1745479 1785363 2246489 2694931 2709488 2694122 2210398 1951024 1855028 2530774 2476260 2461549 2099933 3065756 2481919 2728919 2203574 3285482 2092912 2237200 2850637 2245745 1594146 2763448 1630646 3078249 1234665 1869167 1704150 1436526 2-hydroxyglutarate 122059 124875 131559 185644 197759 134972 184789 157062 140375 199613 165943 194145 195886 250765 170158 169320 129667 101241 139163 140742 171769 123690 124865 135195 50598 217614 157499 154818 119157 149332 99726 133463 2-hydroxyisobutyrate 294131 307212 360087 375140 378844 534733 470481 388659 251153 308422 374035 300032 345555 501142 487521 380420 624195 521566 475613 608312 596684 589443 541992 759877 672442 916542 631049 343431 597209 499454 487914 513563 alpha-tocopherol 59728 64411 79663 71791 55027 58082 68666 67113 78558 105099 114491 104731 143860 87967 116519 89980 66528 53323 50638 78184 71776 78206 63457 55562 93790 105096 77573 42166 66946 89774 86188 86163 arabinose 26722 49787 31653 38762 14384 24936 15534 34032 27469 20693 49724 16744 41988 38604 20295 35997 40603 14182 arabitol 11382 11877 15593 5595 25213 24950 19597 25239 20532 13279 12311 23467 16350 27080 25343 28854 6843 7732 9384 14644 8666 8697 11890 12083 14320 16194 22589 8473 7514 15423 14351 arabonate 33220 20042 37916 26631 20298 38995 38083 21041 33127 32454 23388 21992 34546 51450 63711 36206 27286 15917 17117 26955 24343 24056 6909 16860 18693 40384 31045 14010 16719 18993 21393 16019 ascorbate (Vitamin C) 53388 163282 127244 186166 216698 43360 23607 33606 22849 72068 16964 11484 14546 29663 27119 11738 41843 11888 261677 194380 50210 432369 60205 72949 3742 8414 51283 25112 96215 beta-alanine 15946 20544 12290 3264 7901 14390 13455 9523 12867 18648 12369 3990 6148 9513 10440 6263 13623 11235 10333 8335 4497 10961 beta-sitosterol 50328 30121 66457 30920 37674 34761 53145 39907 25900 18090 26551 20017 26511 20338 20483 39019 18214 16299 36078 32826 32180 18876 22764 23450 31962 18034 campesterol 296852 410703 435258 403418 411399 337669 575694 255094 286691 419501 226306 349603 385948 223458 369655 295116 280607 239435 257164 270765 357983 276437 336663 319794 187336 315542 263846 243358 107368 91375 221346 186915 cholestanol 61658 46810 44585 36052 43067 53674 85501 39320 28857 45896 59949 56319 54039 44306 56492 53969 52513 33623 35963 38685 60256 47561 41127 53432 34201 55496 56260 36586 50930 35174 35391 36139 cholesterol 5425391 6604691 5102942 5077633 4967858 5564558 6680480 4925207 4774318 5967169 6008459 5627280 6444673 4894150 5825962 4987816 4531802 4076625 3598120 4880829 5210201 5188371 4522752 4529946 5302401 7563356 4760591 4483474 4988490 4981981 4605905 5186351 cis-vaccenate (18:1n7) 44050 77044 48918 26331 31257 76802 51083 57350 32894 49165 94271 90701 66948 34972 54867 29951 40499 49776 54018 35733 52134 27202 33203 55747 59727 71730 35603 34297 33289 26884 42114 33765 erythritol 82873 92854 106250 67346 98144 98619 114535 85828 102457 93562 91273 91566 58984 93396 110279 74972 57170 55003 65447 89717 55510 40518 62864 46257 32181 71991 57365 55610 63375 56719 66803 glycine 370432 1025996 1118612 360861 333151 813339 534338 443063 474154 587523 468827 537816 424869 687540 985442 940424 321017 475930 298893 359379 606272 340730 342879 356175 251142 604666 449396 621350 543002 335803 423509 550241 glycolate (hydroxyacetate) 411546 311711 314623 288444 408982 328472 392820 361900 356508 331226 190170 330053 208136 277781 292572 270546 334049 367180 292495 309131 301810 268411 263501 248454 278275 353051 245774 295100 238460 237223 252208 249224 inositol 1-phosphate (I1P) 57246 57690 43349 42104 39185 38004 70847 38560 51623 47225 38632 76515 51744 42616 31109 41039 32760 31103 47488 39435 43562 34288 28818 38127 79105 48196 25328 29926 27753 30181 52321 oleate (18:1n9) 368779 625866 395500 380904 520361 430563 350897 393165 402939 572809 670326 737545 515069 332499 515030 329083 476954 252619 424722 447161 406966 404824 291615 374193 409442 614441 212438 177971 302740 371298 335834 195125 ribulose 9360 11319 8862 6347 7554 12331 11500 8276 19447 9491 6993 6097 9478 4453 10885 7540 7075 11018 8424 9780 5170 ribulose/xylulose 5-phosphate 4715 2212 6185 5217 7321 5395 39769 12804 sarcosine (N-Methylglycine) 27394 25787 65595 35434 22398 33804 30179 26415 46548 25217 27127 75045 64711 37035 19437 36143 53860 35628 29021 37937 41695 73285 16298 35235 30391 54202 sorbitol 98842 78696 109009 104501 112831 102619 143154 96060 124203 130545 113793 78380 84921 92564 79453 63733 70649 115585 89782 132170 94236 57156 44067 43837 84396 58440 46975 58679 55139 50700 56421 xylitol 9794 7237 8783 12467 22279 3022 11790 11823 12211 5876 9958 10460 9286 11214 7979 7909 22110 7416 7614 13491 xylonate 17136 5246 11372 16912 16665 14703 14880 21651 12638 10124 12442 14012 4050 49173 58649 32269 6655 12361 7854 6810 9062 28619 11724 15893 12513 8733 xylose 64627 24191 209760 116441 25466 89894 83245 55692 35427 23417 66263 44036 43764 39939 47645 33195 36053 47876 35026 43800 30082 13543 42369 50963 46276 46098 35587 27149 20291 15460 metabolite_name SUPER_PATHWAY SUB_PATHWAY COMP_ID PLATFORM CHEMICAL_ID retention index MASS CAS PubChem ID CHEMSPIDER KEGG ID 1,2-dipalmitoylglycerol Lipid Diacylglycerol 11953 GC/MS 850 2600 145 40290-32-2 99931 90288 1,2-propanediol Xenobiotics Chemical 38002 GC/MS 100001176 1041 117 57-55-6 1030 13835224 C00583 1-stearoylglycerol (18:0) Lipid Monoacylglycerol 21188 GC/MS 100000932 2186.6 399.4 123-94-4;31566-31-1 24699 23095 D01947 2-hydroxybutyrate (AHB) Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 21044 GC/MS 100000933 1169.4 131 3347-90-8 440864 389701 C05984 2-hydroxyglutarate Lipid Fatty Acid, Dicarboxylate 37253 GC/MS 100002070 1576 247 40951-21-1 43 42 C02630 2-hydroxyisobutyrate Xenobiotics Chemical 22030 GC/MS 100000748 1107.5 130.9 594-61-6 11671 11181 alpha-tocopherol Cofactors and Vitamins Tocopherol Metabolism 1561 GC/MS 1105 2305.4 502.5 59-02-9;10191-41-0 14985 14265 C02477 arabinose Carbohydrate Pentose Metabolism 575 GC/MS 828 1631.6 217 28697-53-2 66308 59687 C00216 arabitol Carbohydrate Pentose Metabolism 38075 GC/MS 100000012 1687.5 307.1 7643-75-6 94154 84971 C01904 arabonate Cofactors and Vitamins Ascorbate and Aldarate Metabolism 37516 GC/MS 100001937 1736 292.1 7643-75-7 122045 108861 C00878 ascorbate (Vitamin C) Cofactors and Vitamins Ascorbate and Aldarate Metabolism 1640 GC/MS 233 1850.1 332.1 134-03-2 10189562 C00072 beta-alanine Nucleotide Pyrimidine Metabolism, Uracil containing 35838 GC/MS 244 1582.3 334.1 56-41-7;107-95-9 239 234 C00099 beta-sitosterol Lipid Sterol 27414 GC/MS 100001033 2380.8 357.4 83-46-5 222284 192962 C01753 campesterol Lipid Sterol 33997 GC/MS 100001269 2353 129 474-62-4 173183 151215 C01789 cholestanol Lipid Sterol 21131 GC/MS 100000859 2320.8 215.2 80-97-7 6665 6413 C12978 cholesterol Lipid Sterol 63 GC/MS 266 2316.9 329.3 57-88-5 11025495 4937803 C00187 cis-vaccenate (18:1n7) Lipid Long Chain Fatty Acid 33970 GC/MS 100001228 1987 339.3 506-17-2 5282761 4445888 C08367 erythritol Xenobiotics Food Component/Plant 20699 GC/MS 100000846 1517.5 217 149-32-6 222285 13835932 C00503 glycine Amino Acid Glycine, Serine and Threonine Metabolism 11777 GC/MS 340 1166 101.9 56-40-6 750 730 C00037 glycolate (hydroxyacetate) Xenobiotics Chemical 15737 GC/MS 203 1119 177 79-14-1 757 737 C00160 inositol 1-phosphate (I1P) Lipid Inositol Metabolism 1481 GC/MS 370 2057.8 318.1 573-35-3;106032-59-1 440194 17215924 C04006 oleate (18:1n9) Lipid Long Chain Fatty Acid 1359 GC/MS 442 1984.4 339.2 112-80-1 445639 393217 C00712 ribulose Carbohydrate Pentose Metabolism 35855 GC/MS 100000147 1662 306.1 488-84-6 151261 71354 C00309 ribulose/xylulose 5-phosphate Carbohydrate Pentose Phosphate Pathway 37288 GC/MS 100002179 1935 357.2 C00199 sarcosine (N-Methylglycine) Amino Acid Glycine, Serine and Threonine Metabolism 1516 GC/MS 1023 1182.9 116 107-97-1 1088 1057 C00213 sorbitol Carbohydrate Fructose, Mannose and Galactose Metabolism 15053 GC/MS 506 1843 319.1 6706-59-8 5780 96680 C00794 xylitol Carbohydrate Pentose Metabolism 4966 GC/MS 543 1677.6 307.2 87-99-0 6912 6646 C00379 xylonate Carbohydrate Pentose Metabolism 35638 GC/MS 100001627 1722 292 73686-31-7 6602431 5034782 C05411 xylose Carbohydrate Pentose Metabolism 15835 GC/MS 826 1723.9 204 609-06-3 135191 85957 C00181