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 4458823.5 3483432.5 3183007.25 3811824.75 4432511 5391965 4220320.5 3866368 5170460 6463226 6068304 3369926 3929943.5 4332062.5 4179535.5 5710246.5 6285369.5 4104453.25 5297430.5 5443345 6228138 5949250 6672273.5 6310514 5006596.5 5004849.5 5680271.5 4785333 3753480.5 3705175.75 4801026 6814894.5 1,2-propanediol 2465860.5 1446222.75 1345899 1479623.375 757615.3125 1771396.25 1646981 767876.875 910665 1733221 3661363.5 1429229.75 2498481.75 718284.125 835960.625 1313444 578944.875 1283435.5 1076962.875 829692.8125 2092103 1509302.375 896004.25 1256757.625 1691204.625 578846.8125 1395486.25 1640579.5 1024129.125 1162967.5 952613.875 968189.5 1,3-dipalmitoylglycerol 1964221 2166668.5 1525415.375 2197650 2259627 2561094.25 2488070 2325183.75 2247557.75 2865653.75 3953122.75 2033872.125 2244564 2086165 2324042.25 2680941.5 3009328.5 2323837 2674329.5 3115096.25 3470925.5 2885157.75 3088569.5 3149648.25 2789271.5 2638218.75 2845096 2945957 2351961 2287851 2412085.75 3232379.5 1-stearoylglycerol (18:0) 582141.4375 574492.5 544240.8125 747441.9375 741688.375 660538.25 705799.9375 657743.75 732519.6875 747779.4375 810209.5 604208.0625 605399.5625 584878.3125 588862.125 591963.5625 678291.5625 550857.25 581857.4375 638916.6875 740803.0625 631183.1875 581850.3125 639419.875 679533.0625 622286.75 695240.375 721774.25 627714.5 608671.875 667404.3125 650116.125 2-aminobutyrate 1663627.375 901692.8125 1096220.375 962497.75 1528137.875 1541040.25 951895.25 1521201 880346.5 1415500.5 619909.6875 785988.0625 716284 979967.5625 1565379.75 1799212.375 979503.75 626251.8125 1026279.313 1046098.313 896658.5 625631.125 817125.6875 957170.125 820758.1875 730028.75 827966.6875 987029.875 775893.1875 1086904.375 963546.3125 838383.0625 2-hydroxybutyrate (AHB) 271211.1875 455287.6563 499968.9375 522826.9375 751867.0625 577744.25 444984.6563 653680 429700.5 445854.8125 430597.875 436153.0313 437287.5313 499898.5625 432846.75 510936.3125 475847.5 517766.6875 403578.25 780724.75 598282.625 409233.8125 512429.1875 539887.75 649370.6875 397177.375 481481.25 431695.0625 403623 363088.4688 481378.7188 370092.0313 alpha-tocopherol 79219.7813 73599.7266 83319.0625 87171.6484 77496.2734 202390.3125 97238.0469 185375.9531 177694.6563 242290.0625 181999.9375 178703.4375 136594.5469 135270.5625 207029.9375 229669.0469 150140.9063 43243.3906 41205.2695 65335.5586 28505.4102 130317.3594 232136.8438 170757.3438 92587.7109 100630.2891 125293.6484 123940.8516 167385.4531 224986.8125 arabitol 46001.0625 42466.8984 53761.1016 31905.0508 32147.1602 70874.8672 67173.7422 45422.3516 40339.5352 37417 49525.6797 28781.8301 42595.3516 37256.0313 50234.1211 24748.9609 29897.7402 23472.0801 34092.4688 27825.8105 30373.1406 30129.7402 43026.1406 36926.0586 23860.1094 18347.6797 43696.2695 23721.5 ascorbate (Vitamin C) 1883052.625 1517593.375 2234420.5 1201944.5 2124032 1818182.25 9516670 1144706.875 3925611 3017727.5 183981.9844 2364634.75 2034075 2693689 1351013.875 3624386.25 13370214 8997742 1635231.375 491681.1563 1197319.125 151337.2656 497924.4063 2063249 4216581.5 5598278.5 822588.5625 484305.9063 3542986.5 3256502.75 9091968 2892180.75 beta-alanine 2190091 2273084.75 1547963.75 1512373.5 1921610.5 1578248.875 2337549.75 1783555.75 1842049.625 1538626.875 1814940.75 1962939.75 1217988.5 1550824.375 1151639.5 1321505.875 1898044.375 1881592.125 1449471.25 1780403.125 1270843.875 1182291.625 1470752.25 1610280.125 1687536.375 1570107.875 1910425 1207960.25 1012309.75 1206018.75 1792775.75 1322743.375 campesterol 836409.5 1105131.125 857266.5625 994988.9375 1016856 1219040.5 928666.875 1096785.75 1376090.25 1193526.625 990705.25 1138361.125 897421.5625 1032754.875 1003641.875 1112351.875 1041692.25 698249.625 1090526.25 1034123.25 1165175 1090041 1185693.75 1091834 1470535.5 1347690.25 1163206.375 881703.25 914923 641135.4375 619352.1875 1022663.625 chiro-inositol 185214.5625 202968.8906 144515.0313 163653.3438 204275.0938 163352.7656 185685.2031 158878.2031 90670.2422 90183.7969 168639.0938 119618.7656 87119.2031 94642.4688 96957.4688 176772.1719 90383.6797 65804.5781 53175.2148 62117.1445 84107.2813 51910.0898 39573.8984 74444.1484 55745.7148 55408.7383 68557.5781 62860.0313 44251.6211 77584.3281 cholesterol 70857704 75762112 67499024 75626752 73826192 79014352 69781376 77025600 78328672 80502200 66956116 70700200 72090088 72856824 76823472 75226352 78220464 69056312 67143224 73224936 77851104 69418336 67460184 73060192 77211696 70640504 77253464 74505736 72601936 63893776 57873132 74137856 cis-vaccenate (18:1n7) 1024520.188 1054427.25 1304311.25 1229386.875 1224128.5 1314479.875 1256434.5 1147849 1198195.375 1315375.25 1119074.25 1175706.75 840858.5625 946102.625 943035.3125 931944.5 1517493.875 1091277.375 1387218.75 1366971.375 1714511.125 1156986.625 1228504.375 1726519.75 1202988.125 1403276.875 1357812.125 1358904.625 1164392.625 1554050.5 1353430 1375897 citrate 5379345.5 6532181 6186364 5317378 5945900.5 6257286 7395800 6267532 7296833 4869660 3079488.25 5445370.5 4154904 5023955 5020769.5 5390319 10024929 7183791.5 6409542 5958984 5813081 4343659 4171712 6612944.5 5288655 6422248.5 5782961.5 4612065 5081700.5 5969898.5 6249144.5 5693847 cysteine 3433836.5 3723371.25 3576828.75 4338673 3708337.25 4388354.5 5120233.5 3748524.5 3256215.5 3660505.75 10482445 3130235.5 3248933 3067361.5 2526629 3152459 4962781.5 3838712.75 4339522 4064012.5 4205398 3518093.75 3322729.5 3540726.5 5754044 3634794.25 3988115.75 3276152.25 3132070 4121372.75 4494071.5 3318535.25 dimethylglycine 829445.8125 1219480.375 942830 1485184.75 1230832.875 1145826.375 983410.5 470535.0625 885726 975914.125 495462.6875 761717 509723.9375 624103.875 741241.3125 696748.5 899458.1875 641220.375 777461.5 1542847.75 690661.3125 506584.75 473507.7188 621684.1875 634089.3125 593364.4375 459219.2188 512677.6875 794616.3125 920871.375 609991.375 695931.3125 ethanolamine 17885344 19192256 17449362 16685236 18417462 18319190 23298714 19202988 17342812 19187466 32391754 18099298 20431872 18438264 19829332 20950780 22480604 19995596 15330976 19892984 18759158 15067278 18909454 21129492 20181976 19531684 18657766 18752694 14611223 18639542 27110262 20548768 gamma-aminobutyrate (GABA) 1176810.75 1429460 1221513.5 1504806.25 1645818.625 1545258.25 1838240.25 1670528.875 1522491.375 1294457.25 1707931.875 1299694.75 1388102.5 1492549.5 1296888.75 1455557.125 1469999.875 1364373.625 1156304.5 1355595.25 1536590.375 1085341.625 1175635.375 1698658.875 1391787.25 1430631.375 1273198.875 956443.75 1143088.75 1226497.875 1479204.75 1499961.75 glucose 1-phosphate 1225349.875 1229367 1205762.375 1374010 1188718.25 1176094.375 1500154.875 1162923.25 1185468.5 1352180 1237770.375 1009363.875 998941.0625 1110891.75 1036495.313 1295498.25 1609304.125 1303746.875 958770.6875 913058.75 1141035 690711.5625 917123.1875 1066437 1224515.75 1334971.125 1047242.813 1131629.5 1063005.625 1195895 1797797.625 1247187 N-acetylglucosamine 221714.8281 295980.5313 175685.125 179001.4844 116570.7188 170721.5 128551.7578 191052.4844 177068.7813 115851.9219 168004.7188 188816.7344 137759.9531 110436.1172 69857.3828 103929.3125 98772.5703 28345.8398 131487.2656 oleate (18:1n9) 7657181.5 8006612 8901717 11680661 8112016.5 8819242 7692527 8066961.5 8975666 8749836 6681864 8893739 6218957 6236814.5 7983945.5 6268618.5 13717843 8731794 10497355 12191095 15393167 11325005 10481306 15049245 7863123 10154020 11926034 10900366 10554262 14301089 12920239 10944549 putrescine 544457.1875 548980.75 517091.3438 478539.9375 545753.1875 526760.25 591516.625 513782.6875 313077.8438 309530.6875 1574213.875 362363.3125 296210.9375 267252.7188 248991.8125 232776.125 900765.9375 428556.2188 555598 644795 594332.25 435135.3438 549466.4375 665855.4375 478314.625 522362 611575.125 516510.5313 562037.75 514991.6875 511048.7188 339249.6563 ribulose 101381.1641 86080 68132.7031 118680.2031 104538.4766 100688.3594 99375.8125 98060.9297 76731.2578 97100.0938 138383.5938 76145.6016 93554.8516 53197.0117 54530.1211 75325.75 89134.6172 72271.6797 68086.0781 85247.0547 103388.75 68147.7422 94245.1719 62163.9688 66567.9297 71186 84459.1563 76444.4219 44646.8086 54597.6797 87368.0625 53003.1211 ribulose/xylulose 5-phosphate 441242 429684.2813 325496.7813 479290.375 473530.7188 415883.375 522809.1563 462672.0625 339326.2813 408849.7813 467515.1875 352393.25 371171.375 342021.375 358625.8125 425783.4688 388685.6563 269504.2813 295226.0938 323472.9063 370263.375 214766.5781 302671.9063 340543.8438 409553.7188 358624.8125 352835.9063 253731.5938 260378.6406 324322 427125.0313 379508.2188 sarcosine (N-Methylglycine) 584923.25 561056.25 745558.0625 796054.9375 1212496.25 893123.625 894487.375 912438.1875 705203.5 725434.0625 811473.5625 719073.9375 831499.8125 971377.0625 1001735.813 1241145.125 661009.9375 714414.75 646296.625 776963.6875 683037.5 535538.8125 526518.6875 540626.9375 866444.25 847333.5 571215.1875 769435.125 739168.625 643757 911071.125 650514.8125 scyllo-inositol 570903.4375 580828.625 608715.75 664592.0625 668612.0625 614518.625 694566 624569.3125 581565.8125 583729.5 837359 726923.375 497113.4063 557947.4375 498759.25 461726.2813 372627.5938 400111.25 355224.0313 400447.8438 358810.0625 365757.3438 317106.875 410118.25 461671.3125 405565.6875 370295.875 386720.6875 326895.3125 412845.75 500583.5 336392.875 sorbitol 113494.4141 115005.5156 116464.9219 136930.2031 117203.8438 86561.1875 100964.2813 79700.0781 73927.8281 67533.6406 126922.7734 63434.6836 55083.2305 64743.3203 77196.9375 80898.9766 174270.7031 137198.0469 99882.7188 105743.5938 115099.5313 75775.2109 186092.4688 82987.8828 83708.4766 122551.5 226433.125 149057.9531 55041.9648 75319.2188 97367.4688 84183.6563 xylitol 26154.1504 55260.8086 64564.75 65521.7695 58989.2188 66011.3203 69500.1875 56878.3789 29758.6992 35533.8906 35215.6992 22473.9004 31437.8301 46815.8086 32943.3711 36091.7617 38354.7109 44464.2383 38674.3594 24145.4707 36855.0586 42732.8398 31142.7598 57548.9102 34844.5313 58864.8203 27685.8691 40265.5391 34288.3516 49230.2734 xylonate 319572.8438 344157.25 380887.8125 442783.9375 425267.4063 425334.4063 407170.375 387740.8125 283223.9688 380807.375 480939.1563 292759.3125 382595.4375 606833.1875 388680.125 515578.3438 235921.1719 227852.1094 318543.5313 375069.5625 299385.9688 262343.5625 359522.0313 316030.375 283767.9688 392638.4063 333229.625 458254.2813 377549.5625 293733.0313 502138.9688 253937.4531 metabolite_name SUPER_PATHWAY SUB_PATHWAY COMP_ID PLATFORM CHEMICAL_ID retention index MASS CAS PubChem ID CHEMSPIDER KEGG ID HMDB_ID 1,2-dipalmitoylglycerol Lipid Diacylglycerol 11953 GC/MS 850 2600 145 40290-32-2 99931 90288 HMDB07098 1,2-propanediol Xenobiotics Chemical 38002 GC/MS 100001176 1041 117 57-55-6 1030 13835224 C00583 HMDB01881 1,3-dipalmitoylglycerol Lipid Diacylglycerol 35728 GC/MS 1730 2637 371.3 26657-95-4 68149 61457 HMDB31011 1-stearoylglycerol (18:0) Lipid Monoacylglycerol 21188 GC/MS 100000932 2186.6 399.4 123-94-4;31566-31-1 24699 23095 D01947 HMDB31075 2-aminobutyrate Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 1577 GC/MS 1128 1215.7 130 1492-24-6 439691 388757 C02261 HMDB00650 2-hydroxybutyrate (AHB) Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 21044 GC/MS 100000933 1169.4 131 3347-90-8 440864 389701 C05984 HMDB00008 alpha-tocopherol Cofactors and Vitamins Tocopherol Metabolism 1561 GC/MS 1105 2305.4 502.5 59-02-9;10191-41-0 14985 14265 C02477 HMDB01893 arabitol Carbohydrate Pentose Metabolism 38075 GC/MS 100000012 1687.5 307.1 7643-75-6 94154 84971 C01904 HMDB00568 ascorbate (Vitamin C) Cofactors and Vitamins Ascorbate and Aldarate Metabolism 1640 GC/MS 233 1850.1 332.1 134-03-2 10189562 C00072 HMDB00044 beta-alanine Nucleotide Pyrimidine Metabolism, Uracil containing 55 GC/MS 244 1451.8 174 56-41-7;107-95-9 239 234 C00099 HMDB00056 campesterol Lipid Sterol 39511 GC/MS 100001269 2353 343.4 474-62-4 173183 151215 C01789 HMDB02869 chiro-inositol Lipid Inositol Metabolism 37112 GC/MS 100001859 1857 318.1 643-12-9 10254647 C19891 HMDB34220 cholesterol Lipid Sterol 63 GC/MS 266 2316.9 329.3 57-88-5 11025495 4937803 C00187 HMDB00067 cis-vaccenate (18:1n7) Lipid Long Chain Fatty Acid 33970 GC/MS 100001228 1987 339.3 506-17-2 5282761 4445888 C08367 HMDB03231 citrate Energy TCA Cycle 1564 GC/MS 1124 1763.4 273.1 77-92-9 311 305 C00158 HMDB00094 cysteine Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 31453 GC/MS 800 1560.1 218 52-90-4;56-89-3 5862 5653 C00097 HMDB00574 dimethylglycine Amino Acid Glycine, Serine and Threonine Metabolism 5086 GC/MS 806 1030 57.9 1118-68-9 673 653 C01026 HMDB00092 ethanolamine Lipid Phospholipid Metabolism 1497 GC/MS 420 1304 174.1 141-43-5 700 13835336 C00189 HMDB00149 gamma-aminobutyrate (GABA) Amino Acid Glutamate Metabolism 1416 GC/MS 141 1539.7 304.1 56-12-2 119 116 C00334 HMDB00112 glucose 1-phosphate Carbohydrate Glycolysis, Gluconeogenesis, and Pyruvate Metabolism 33755 GC/MS 1233 1853 217.1 56401-20-8 65533 58977 C00103 HMDB01586 N-acetylglucosamine Carbohydrate Aminosugar Metabolism 15095 GC/MS 100000281 1903.3 245 7512-17-6 24139 22563 C00140 HMDB00215 oleate (18:1n9) Lipid Long Chain Fatty Acid 1359 GC/MS 442 1984.4 339.2 112-80-1 445639 393217 C00712 HMDB00207 putrescine Amino Acid Polyamine Metabolism 1408 GC/MS 49 1705.8 174 110-60-1 1045 13837702 C00134 HMDB01414 ribulose Carbohydrate Pentose Metabolism 35855 GC/MS 100000147 1662 306.1 488-84-6 151261 71354 C00309 HMDB00621 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 HMDB00271 scyllo-inositol Lipid Inositol Metabolism 32379 GC/MS 100001215 1893.8 318.2 488-59-5 892 10254646 C06153 HMDB06088 sorbitol Carbohydrate Fructose, Mannose and Galactose Metabolism 15053 GC/MS 506 1843 319.1 6706-59-8 5780 96680 C00794 HMDB00247 xylitol Carbohydrate Pentose Metabolism 4966 GC/MS 543 1677.6 307.2 87-99-0 6912 6646 C00379 HMDB02917 xylonate Carbohydrate Pentose Metabolism 35638 GC/MS 100001627 1722 292 73686-31-7 6602431 5034782 C05411 HMDB60256