metabolite_name 4 22 25 27 43 49 50 51 52 54 59 67 69 73 75 76 79 86 121 144 12 18 35 48 56 63 68 71 77 80 88 90 91 125 130 143 157 168 194 197 303 304 305 306 309 310 313 318 321 324 327 329 330 333 335 337 341 342 345 347 1-arachidonoyl-GPA (20:4) 121424.00 531935.00 540621.00 1862824.00 592694.00 895619.00 1162775.00 250103.00 334601.00 878863.00 926589.00 1884892.00 794521.00 772851.00 808058.00 1138699.00 456237.00 204637.00 664100.00 662506.00 1230506.00 218584.00 213499.00 660693.00 374559.00 5289593.00 298937.00 624904.00 270910.00 207499.00 224244.00 929760.00 468284.00 195737.00 670656.00 373301.00 675063.00 172893.00 243990.00 327764.00 1563526.00 1243239.00 754058.00 248286.00 84449.00 545131.00 143061.00 708320.00 912528.00 468375.00 391640.00 961429.00 414363.00 538919.00 2886573.00 258269.00 164117.00 1801914.00 1-palmitoyl-2-arachidonoyl-GPI (16:0/20:4) 1023620.00 2677126.00 1454886.00 1349251.00 740391.00 908145.00 1337980.00 1199981.00 2439704.00 1342390.00 1178159.00 664937.00 1552315.00 1062921.00 968296.00 1642452.00 1631016.00 1031494.00 821760.00 2585564.00 1124666.00 865747.00 1085656.00 1269767.00 721581.00 972977.00 1141002.00 1650583.00 2051480.00 688047.00 1726816.00 752426.00 1028427.00 749969.00 779050.00 3272695.00 1215502.00 1462383.00 1149709.00 675442.00 2206454.00 1114764.00 664697.00 2651912.00 1400373.00 1459035.00 1873865.00 1893283.00 2175448.00 688656.00 825623.00 1091649.00 2330210.00 2013580.00 920785.00 1740582.00 690773.00 603048.00 611549.00 1131962.00 1-palmitoyl-2-linoleoyl-GPI (16:0/18:2) 1390138.00 2400588.00 1778513.00 1827643.00 959679.00 1617699.00 1920896.00 1832300.00 3337594.00 1285865.00 1782934.00 342941.00 1609320.00 1988060.00 2480931.00 1710721.00 1409864.00 1301083.00 1177850.00 1952973.00 1655061.00 1256800.00 958642.00 1813467.00 1056901.00 1509904.00 1862792.00 1682709.00 1819345.00 646996.00 1273109.00 924677.00 1394032.00 1083062.00 1345562.00 2491326.00 2367911.00 1795393.00 1656200.00 1062841.00 3022537.00 2644607.00 1345248.00 2761790.00 1329467.00 1319728.00 2336862.00 3204487.00 1992998.00 953438.00 1081332.00 1313073.00 2030291.00 2575383.00 1443739.00 2362725.00 929430.00 924704.00 1018756.00 1612952.00 1-palmitoyl-2-oleoyl-GPI (16:0/18:1)* 751774.00 950550.00 1117290.00 1728336.00 770011.00 1493990.00 1537822.00 1200373.00 1422247.00 640047.00 797374.00 1037552.00 2039916.00 2156275.00 924173.00 921684.00 831886.00 735657.00 1205053.00 1148303.00 734043.00 400584.00 1609794.00 673511.00 821793.00 803999.00 1055802.00 1201839.00 478649.00 1307508.00 605558.00 881555.00 572530.00 870976.00 1164343.00 1378620.00 2304211.00 983443.00 570474.00 2092075.00 1526420.00 1183219.00 2178415.00 1272855.00 1219433.00 1208767.00 1970363.00 2447751.00 758304.00 931235.00 1503479.00 2654549.00 2000842.00 983837.00 1928054.00 714476.00 671016.00 588089.00 1327532.00 1-stearoyl-2-arachidonoyl-GPI (18:0/20:4) 17343188.00 15904833.00 14453735.00 10177898.00 9830472.00 9668110.00 14449009.00 13130940.00 15015443.00 9778941.00 12752732.00 13602757.00 11646574.00 16388441.00 7148781.00 18091872.00 18363106.00 9324920.00 8922443.00 18682432.00 10012877.00 12734469.00 8820050.00 8976582.00 7159937.00 9877559.00 7723365.00 12782275.00 13411976.00 8052264.00 16904114.00 7610380.00 8860567.00 8021870.00 10034630.00 10513040.00 10052596.00 11295905.00 9980690.00 14246624.00 12416649.00 8210583.00 5935319.00 11505951.00 11053646.00 9050939.00 10385153.00 11185547.00 18583036.00 7448029.00 5993882.00 5914092.00 15507385.00 9150355.00 8861822.00 10381148.00 6335305.00 4404620.00 9475884.00 8674461.00 1-stearoyl-2-linoleoyl-GPI (18:0/18:2) 4091485.00 3771407.00 4288121.00 4004376.00 3128399.00 4331331.00 4671726.00 5203245.00 6106014.00 2591341.00 5319784.00 1481293.00 2631488.00 7285335.00 5844282.00 4523189.00 3629241.00 2799582.00 2287029.00 5106103.00 3764042.00 4593665.00 2036333.00 4084314.00 2823970.00 3826785.00 3316666.00 3282403.00 2834118.00 1694633.00 2907432.00 2516200.00 4537124.00 2494330.00 3729595.00 3417033.00 5347127.00 4555523.00 3800363.00 4666094.00 5112465.00 5787564.00 3517755.00 4847303.00 3136859.00 3685520.00 4676394.00 6438135.00 4594195.00 2110712.00 2192707.00 2538856.00 4007519.00 4200970.00 4222021.00 4445511.00 2813974.00 2655520.00 2838830.00 3281153.00 2,3-dihydroxyisovalerate 228420.00 4325459.00 1508643.00 185427.00 646866.00 233480.00 347381.00 114850.00 159859.00 208327.00 288296.00 356124.00 178785.00 395367.00 209378.00 490959.00 267530.00 254574.00 122882.00 19817952.00 205983.00 109112.00 282136.00 719874.00 293853.00 853003.00 1113603.00 588894.00 1600507.00 17026348.00 293870.00 784033.00 1131402.00 792927.00 371453.00 1086507.00 1006612.00 5516106.00 356387.00 241806.00 237722.00 123822.00 769325.00 3463076.00 701655.00 377381.00 2-hydroxybutyrate/2-hydroxyisobutyrate 271780896.00 123497144.00 289820544.00 145923440.00 215307872.00 77722552.00 259414160.00 400050560.00 239616640.00 91735720.00 474610144.00 326494816.00 163454368.00 278595040.00 127285240.00 218558912.00 447477696.00 131207232.00 200089616.00 100564576.00 247797152.00 382015616.00 165357280.00 92691408.00 98663424.00 253885232.00 258349104.00 248966112.00 181843328.00 133860592.00 202711232.00 158003248.00 103363296.00 53206576.00 311194720.00 50923164.00 141597952.00 141311312.00 88430320.00 143223232.00 179420480.00 84240472.00 140818384.00 48559096.00 140329696.00 44607532.00 75557680.00 29238488.00 170702448.00 29609594.00 44064784.00 25595350.00 108525672.00 35500448.00 80903808.00 134509184.00 150562960.00 120126352.00 90710048.00 85289408.00 2-hydroxyglutarate 54867888.00 41355944.00 55957232.00 45827880.00 41865896.00 36132268.00 59608104.00 82920904.00 88070208.00 36891900.00 68558248.00 33886000.00 40943724.00 51025724.00 87764936.00 40983884.00 35978620.00 29811244.00 68088472.00 47483648.00 36543720.00 33117032.00 57305296.00 45666136.00 29315696.00 63549432.00 65052692.00 93649640.00 30165748.00 30341120.00 143454496.00 28049784.00 27629614.00 22648700.00 41961596.00 23700320.00 40236116.00 30249298.00 22165228.00 51477840.00 58343056.00 53399448.00 66017784.00 61045552.00 29412688.00 24061852.00 95797496.00 33728484.00 44972140.00 20465096.00 19973196.00 23145966.00 53773908.00 34197376.00 27160490.00 25263132.00 31428920.00 22394882.00 39998928.00 48681684.00 2-isopropylmalate 3602146.00 987898.00 2466402.00 963092.00 2243630.00 2055925.00 3606979.00 1352170.00 3462379.00 933681.00 2198857.00 1999311.00 833056.00 2075606.00 811384.00 1848191.00 1077607.00 92761.00 3545005.00 1088577.00 1944465.00 3622562.00 3298926.00 1217531.00 754065.00 2827448.00 1046391.00 664188.00 540377.00 1550856.00 1824429.00 1327410.00 713540.00 1724641.00 1462529.00 1981810.00 1748127.00 1276006.00 1689980.00 833984.00 4598583.00 1177281.00 823051.00 412357.00 564846.00 1189931.00 670722.00 789600.00 824213.00 892593.00 312790.00 1190857.00 458366.00 3-hydroxy-2-ethylpropionate 4390881.00 3678665.00 4824193.00 6038260.00 6053483.00 5172829.00 5914558.00 10306903.00 5048985.00 3256253.00 8316786.00 5291540.00 5418643.00 4219359.00 4833492.00 4732236.00 5058655.00 4267346.00 5176894.00 3543676.00 4383439.00 8849057.00 6247912.00 3440974.00 6133823.00 8272363.00 4006414.00 4826048.00 3657902.00 4997100.00 4911730.00 3908607.00 3705796.00 3062390.00 6217960.00 2582708.00 3256972.00 3672754.00 4438687.00 2668169.00 5989414.00 3389510.00 2065067.00 6914382.00 3821808.00 1840268.00 2988489.00 2303061.00 6150677.00 1275861.00 3558450.00 1577182.00 3828580.00 1432438.00 2256524.00 2972614.00 3750911.00 4877130.00 4651931.00 3651150.00 3-hydroxy-3-methylglutarate 8482827.00 13546928.00 11743026.00 11097101.00 13655706.00 12250101.00 13121430.00 24296260.00 9541321.00 7227590.00 11178954.00 9826285.00 9589270.00 15145852.00 6977613.00 8128678.00 8964413.00 12419035.00 15778725.00 11472785.00 12726626.00 13240464.00 11049767.00 8233466.00 8007705.00 15116987.00 11069663.00 14535242.00 8231089.00 6747461.00 13036632.00 5649979.00 8320309.00 6127753.00 7428412.00 8089439.00 7877970.00 8766387.00 5948514.00 9370783.00 5597921.00 5738844.00 8466929.00 13595223.00 5174934.00 6064319.00 20682650.00 8953602.00 4857820.00 5426047.00 7648026.00 5787480.00 6103079.00 7046804.00 5349207.00 5391437.00 9268873.00 7270738.00 5501594.00 5939026.00 3-hydroxybutyrate (BHBA) 1197031808.00 223929152.00 862082112.00 669805568.00 178808736.00 815867264.00 830928960.00 2331690752.00 304169376.00 203384512.00 993417152.00 123427560.00 114647624.00 1836141824.00 202323440.00 444526816.00 509611488.00 84201816.00 90145984.00 414932160.00 2181689856.00 4041177088.00 976431424.00 378704160.00 238515680.00 2592641792.00 1293203072.00 1324534272.00 110876336.00 587203904.00 420184480.00 320251104.00 333714048.00 140406800.00 590139520.00 194665456.00 169966560.00 286482176.00 1027953408.00 244265376.00 98621496.00 26295784.00 143186688.00 16051833.00 32184406.00 11542671.00 15291458.00 26391082.00 32770616.00 18539868.00 14710804.00 4879290.00 28073236.00 11071620.00 196115552.00 101924080.00 113371040.00 188989776.00 37411172.00 13013421.00 3-hydroxyisobutyrate 44670808.00 36772208.00 53170432.00 5551488.00 29247880.00 36247584.00 36437680.00 55486736.00 73477568.00 29818568.00 28875160.00 19865058.00 51358092.00 40410192.00 15569394.00 31177652.00 25614762.00 12908870.00 10332730.00 7053750.00 22418954.00 4714270.00 10630494.00 14307012.00 23555120.00 9284885.00 10561697.00 5193881.00 17075720.00 6156482.00 29150128.00 7941282.00 36972232.00 15269550.00 17488386.00 3-methylglutaconate 1894584.00 3263550.00 3769625.00 4748012.00 5537801.00 11703619.00 3531150.00 4736936.00 4091144.00 1993888.00 3067662.00 3142259.00 2038578.00 6422260.00 1985652.00 4045425.00 3235263.00 3695028.00 4846803.00 1844257.00 3909453.00 4460712.00 3520875.00 5082497.00 1835885.00 2444521.00 4675142.00 1424385.00 2993370.00 1387949.00 8318531.00 943979.00 937035.00 1374380.00 1902468.00 1658594.00 2118203.00 1849676.00 2900792.00 1570549.00 2362949.00 2416848.00 1133038.00 1883239.00 3242024.00 1578050.00 5560006.00 2124038.00 2700050.00 939005.00 1305852.00 1527459.00 1672988.00 2585281.00 1702676.00 1109638.00 2550213.00 1668485.00 2105839.00 1479902.00 5-acetylamino-6-amino-3-methyluracil 1867035.00 978264.00 5771533.00 828142.00 25867508.00 455707.00 6172649.00 6325969.00 3909574.00 6441893.00 3906297.00 4534562.00 4024047.00 3524064.00 796676.00 521588.00 5188637.00 3712954.00 2544156.00 1769323.00 203565.00 3565301.00 166103.00 10266863.00 225381.00 1584469.00 201341.00 252229.00 544636.00 3833073.00 9945869.00 278520.00 4770976.00 9994113.00 3005812.00 7932909.00 1638633.00 2317436.00 484606.00 2371760.00 7331744.00 2602988.00 242394.00 231695.00 4723300.00 970416.00 11802596.00 2835622.00 3868189.00 6721250.00 605122.00 717529.00 5625922.00 5-acetylamino-6-formylamino-3-methyluracil 680128.00 2307104.00 524513.00 292598.00 172840.00 908868.00 367569.00 238136.00 299485.00 408157.00 547983.00 445743.00 249763.00 128253.00 567760.00 294948.00 526325.00 1171779.00 308043.00 872060.00 434841.00 395718.00 192189.00 251583.00 1085550.00 191735.00 568443.00 495813.00 alanine 3104105.00 4042656.00 4386280.00 1603242.00 3266615.00 1380365.00 4864890.00 3035493.00 3609207.00 2834055.00 4962005.00 5824126.00 4600352.00 2789680.00 3321971.00 5466796.00 5100928.00 3138764.00 5772918.00 4247548.00 2764579.00 2400027.00 3062440.00 2484140.00 4635170.00 3302140.00 2580225.00 4600426.00 4971662.00 2132985.00 5022790.00 2717453.00 2267401.00 2502599.00 2945898.00 3218094.00 4196682.00 2630160.00 2102161.00 4175471.00 4238323.00 7596669.00 1904879.00 3687242.00 4523533.00 2723927.00 2734096.00 2182703.00 6153198.00 1916102.00 2533479.00 2760740.00 4404348.00 3688109.00 2316078.00 4139792.00 6642356.00 2238038.00 4875124.00 3334566.00 allantoin 8335730.00 4233379.00 7638362.00 4038238.00 5904224.00 3994272.00 5794004.00 17605624.00 5221016.00 3821272.00 7299849.00 4560579.00 8910580.00 10254612.00 8575121.00 4094863.00 6129706.00 5195407.00 8764283.00 3821652.00 10102360.00 4139180.00 6114811.00 3131285.00 6017051.00 4000951.00 6975840.00 7412319.00 8331574.00 5138563.00 11635187.00 12667379.00 5418561.00 3064512.00 5477626.00 11170807.00 3470196.00 4087755.00 5533682.00 4714333.00 4258303.00 5609998.00 5977278.00 6651864.00 8182657.00 2436220.00 12393598.00 8455066.00 5897124.00 2642146.00 4854285.00 7950019.00 3453604.00 4653765.00 7406829.00 3062387.00 4105268.00 4267318.00 4507302.00 6246465.00 alpha-ketoglutarate 48894432.00 80690640.00 80118952.00 63433284.00 58658520.00 57357396.00 82406728.00 94153520.00 94494376.00 51989328.00 109856464.00 71768256.00 73314896.00 74672064.00 42323800.00 50601940.00 70254960.00 72441984.00 103071608.00 61285604.00 101274448.00 58957480.00 58095252.00 59513988.00 64943448.00 74875952.00 69035768.00 96586464.00 44632608.00 41656872.00 103876800.00 52308924.00 46103400.00 31970470.00 54188612.00 39569992.00 76792488.00 46144680.00 49470728.00 90899328.00 77931184.00 71283536.00 47898008.00 34442832.00 27253416.00 31508586.00 54279464.00 24144092.00 64550456.00 18878244.00 26703650.00 32425756.00 75785056.00 31198966.00 39311196.00 42608848.00 39189836.00 37580600.00 47960872.00 43392864.00 arabitol/xylitol 2092436.00 2205967.00 2636511.00 2505219.00 2563162.00 1754928.00 3074640.00 2894756.00 2615953.00 1595762.00 2054990.00 3524215.00 2366339.00 1320683.00 1966880.00 1995230.00 2409747.00 2688487.00 2474211.00 2278730.00 2115726.00 1523632.00 2745808.00 1425045.00 2320848.00 3666067.00 2404535.00 2801098.00 2741105.00 1519950.00 2547504.00 1475034.00 2340253.00 1497509.00 1730420.00 1955762.00 2022297.00 1681109.00 2712331.00 2451190.00 1704686.00 1931933.00 1473629.00 1371168.00 2028622.00 1293454.00 3108135.00 1962286.00 2395442.00 1124300.00 1681798.00 2010089.00 1391818.00 1854085.00 1743379.00 1208533.00 2325810.00 1589822.00 2121768.00 1731994.00 arabonate/xylonate 11738409.00 10102042.00 14065191.00 17007816.00 19280462.00 11558647.00 17032352.00 17060934.00 11016271.00 6658629.00 14523757.00 19817892.00 9730500.00 10745462.00 12570642.00 15129677.00 11514805.00 16340601.00 14633205.00 13929732.00 16321284.00 14974556.00 14180224.00 9495813.00 15614891.00 17302716.00 11696546.00 11336041.00 17110684.00 9708593.00 19902534.00 10431926.00 14342568.00 12225880.00 11399805.00 13348004.00 10286223.00 12786008.00 13609595.00 16530655.00 8331355.00 12374654.00 8966552.00 8773606.00 12060784.00 9143732.00 10943373.00 10941181.00 14710462.00 8113748.00 9712640.00 9948507.00 11863528.00 8344547.00 12183287.00 7040984.00 21892048.00 9116607.00 8524183.00 8067269.00 asparagine 57824072.00 76913576.00 61430172.00 52399352.00 49633840.00 69640720.00 65275740.00 65683620.00 58005328.00 56893216.00 79855432.00 81624136.00 77454040.00 69989800.00 57425608.00 91138840.00 104314448.00 62962480.00 64046148.00 74048248.00 67264728.00 50173388.00 59835508.00 48788684.00 69295160.00 50930876.00 74418360.00 68490384.00 81940704.00 45981600.00 28456556.00 69521848.00 49589372.00 48935568.00 53631892.00 63896464.00 67730584.00 70741616.00 58006360.00 67842920.00 45661104.00 103730496.00 61484956.00 72812264.00 60289496.00 41897156.00 49450024.00 39364084.00 68818440.00 39679356.00 71083488.00 47619912.00 77737944.00 49043440.00 49850272.00 59843940.00 96877920.00 62185272.00 51204480.00 51041948.00 citrulline 22211004.00 29249616.00 24726278.00 20125600.00 22265416.00 22535912.00 32079820.00 25828778.00 20516172.00 24320834.00 25730448.00 29511842.00 37685032.00 14225484.00 17534996.00 33776864.00 29631634.00 21943176.00 26366210.00 30350750.00 23665984.00 23944092.00 35397312.00 17942034.00 24993776.00 18658172.00 23636768.00 36431908.00 25919664.00 18125928.00 19331860.00 19526980.00 19293728.00 22952720.00 21920024.00 23754542.00 24648758.00 17502424.00 33669500.00 34914432.00 20304964.00 30456914.00 27656684.00 26817040.00 25431164.00 34654136.00 21126884.00 18774572.00 27374024.00 16147694.00 20817228.00 16761287.00 19197518.00 26655890.00 30080548.00 27087516.00 31180226.00 16693317.00 26502840.00 18168884.00 creatine 20261244.00 18446884.00 31913828.00 10732181.00 6167274.00 18638382.00 20757584.00 32832622.00 27534996.00 10373089.00 8767900.00 27081572.00 21290200.00 38657764.00 24287448.00 16626677.00 4673480.00 10924609.00 12174081.00 2976330.00 8752032.00 19127416.00 7251944.00 10485536.00 4125077.00 7596397.00 46027620.00 9365003.00 19164174.00 5908125.00 15859615.00 12906565.00 6527237.00 3117592.00 4431359.00 14398723.00 7544585.00 13508817.00 8476611.00 8464591.00 14314598.00 12612710.00 15377090.00 16496475.00 7016226.00 5889667.00 14028337.00 11340222.00 18200302.00 8820032.00 6484830.00 4086288.00 17666608.00 17495948.00 10729255.00 13966326.00 4239256.00 9079860.00 4981263.00 8515295.00 dihydroorotate 716743.00 2092874.00 1293853.00 2014481.00 774749.00 1230608.00 2840122.00 683851.00 1821414.00 1677942.00 2078429.00 1584101.00 2488319.00 383552.00 938949.00 3342782.00 1638626.00 722939.00 2816351.00 1342232.00 381612.00 1063812.00 1487821.00 948722.00 2419678.00 1015523.00 3387353.00 1677931.00 1742392.00 1972691.00 819387.00 180067.00 2004773.00 959279.00 1506147.00 1268381.00 2403075.00 987993.00 2144050.00 1836355.00 1499579.00 1640946.00 888258.00 1139453.00 960307.00 1515250.00 1251029.00 1582020.00 631062.00 894798.00 1199712.00 427920.00 1325567.00 1319087.00 1169827.00 2298145.00 2166812.00 786098.00 1454995.00 erythritol 2057966.00 2031114.00 1760515.00 380071712.00 2878349.00 1574883.00 3204136.00 2327609.00 2582748.00 1826817.00 1467207.00 19035100.00 2161982.00 1274124.00 1983024.00 3570359.00 1963555.00 2325448.00 3397255.00 3738033.00 1259514.00 1921251.00 2445699.00 1643265.00 2635559.00 1677387.00 2409896.00 2763339.00 2355819.00 1571790.00 3630365.00 2215617.00 2849138.00 1679599.00 1578499.00 2115013.00 1571508.00 1719434.00 1934319.00 4327457.00 2359041.00 2302905.00 1313871.00 1558550.00 1787435.00 1477029.00 2864255.00 2365784.00 2573776.00 1079474.00 1631272.00 2031146.00 1391313.00 2216051.00 2111083.00 1425359.00 2975422.00 2009204.00 1893580.00 1505663.00 erythronate* 212506528.00 205481056.00 253766688.00 565821056.00 314611712.00 219782320.00 324948640.00 259455120.00 251849984.00 173162608.00 224468000.00 403812608.00 238715936.00 174514704.00 251032656.00 275918912.00 269865280.00 231989824.00 281453600.00 292775904.00 192332256.00 195654656.00 327649760.00 188931136.00 273873568.00 224637248.00 292051040.00 314954432.00 265765104.00 199510928.00 261948512.00 227497744.00 268335760.00 184243040.00 185060336.00 236654288.00 200838944.00 168090800.00 191170752.00 371633280.00 214400432.00 283778912.00 190933952.00 174604432.00 199978800.00 194112448.00 326242720.00 219719680.00 244789920.00 164673008.00 204080304.00 238056080.00 156513408.00 215603072.00 224985856.00 154945504.00 320685600.00 209410000.00 242134688.00 213032240.00 ethylmalonate 19894232.00 46143660.00 25858240.00 31486088.00 23886878.00 42194908.00 34576356.00 46628284.00 26052072.00 16875316.00 27559458.00 22101600.00 33815276.00 98120312.00 52122476.00 26134964.00 53039816.00 34245928.00 37863328.00 40561100.00 39909728.00 16405672.00 29276334.00 29360234.00 42299644.00 51672008.00 22692092.00 22119594.00 20845238.00 13661729.00 34536696.00 18818420.00 31758764.00 16441547.00 14825723.00 22382560.00 23910366.00 20287970.00 59259060.00 121585024.00 29486496.00 21817506.00 16772233.00 19034354.00 18377592.00 8392751.00 33607808.00 15208576.00 32887184.00 16841160.00 14175179.00 22907960.00 29221484.00 65901560.00 39997880.00 16620323.00 18282956.00 22760150.00 17089856.00 10458418.00 fructose 29547920.00 23643638.00 30248684.00 27015884.00 31835432.00 30490856.00 46092096.00 17791092.00 63367912.00 19209240.00 47603620.00 34735616.00 40616560.00 22365844.00 29866756.00 29409416.00 38848300.00 18941264.00 43575556.00 29448824.00 52996216.00 24794128.00 82388728.00 23973842.00 59217024.00 36126944.00 122186824.00 41103392.00 36302316.00 23706784.00 31600184.00 13774356.00 19649688.00 30546228.00 42366780.00 18754964.00 40384928.00 31121196.00 47541972.00 47449364.00 66891088.00 79613040.00 48390376.00 43649280.00 44111812.00 25932244.00 81349216.00 18920998.00 40352688.00 22779260.00 52415556.00 27943370.00 66370172.00 47558948.00 44753724.00 23966076.00 62787056.00 28088108.00 48687396.00 66783764.00 fumarate 5276387.00 5583957.00 4569212.00 7514684.00 5442400.00 6319946.00 6657089.00 6580577.00 5222956.00 5589553.00 10051196.00 5035865.00 6443366.00 4039107.00 3797388.00 6642489.00 6496743.00 4268617.00 3672593.00 8036733.00 4651298.00 6960832.00 5617704.00 3736338.00 7318767.00 7304160.00 4508741.00 12115826.00 3962030.00 3949090.00 4947763.00 4156032.00 6030605.00 3881418.00 4278127.00 2823850.00 5278423.00 4461256.00 2188530.00 8544258.00 4881826.00 6790688.00 4388446.00 4257246.00 3500969.00 3294381.00 5431983.00 4694351.00 3171284.00 2655223.00 2973941.00 4438876.00 4696395.00 3577421.00 3841374.00 4943594.00 5519404.00 4188355.00 3814400.00 4087015.00 galactonate 799932.00 981553.00 3314517.00 360965.00 466151.00 3383197.00 1457831.00 963201.00 892897.00 515329.00 1011123.00 1125646.00 890811.00 1631311.00 311967.00 1080949.00 1233305.00 1584008.00 1685780.00 839353.00 534064.00 1450287.00 701576.00 361144.00 814929.00 1922882.00 419541.00 1638421.00 484725.00 317253.00 890317.00 1429254.00 7916595.00 649827.00 1840949.00 504934.00 15403510.00 2883465.00 1368553.00 1247344.00 2072847.00 1889712.00 599569.00 1926654.00 7078536.00 5439457.00 gluconate 11252152.00 12792579.00 17453630.00 7524525.00 15097239.00 9485365.00 17366956.00 9493408.00 15757438.00 7775411.00 14756789.00 11273847.00 13545376.00 5556939.00 10979651.00 8991025.00 12231430.00 9511721.00 17437830.00 14047279.00 17902932.00 5935185.00 14281439.00 12739060.00 13650517.00 10501708.00 16773524.00 15163863.00 14017610.00 10200963.00 7839981.00 8856839.00 8049570.00 9033702.00 7701477.00 15455429.00 12169366.00 8678815.00 10822701.00 13613661.00 12056474.00 9466897.00 6176303.00 8323855.00 9823319.00 5774586.00 5409502.00 10338270.00 11108901.00 8828043.00 10247619.00 6118635.00 11322806.00 10587010.00 11285003.00 6611832.00 15380470.00 8658288.00 8446390.00 6512084.00 glucose 2124192384.00 2362631680.00 1901413888.00 1913160320.00 1773700352.00 2182814720.00 2515943168.00 1764431232.00 2152209920.00 2121614336.00 2489656576.00 2774193920.00 2348146432.00 2295393792.00 1973076864.00 2380265728.00 2206684160.00 2181145600.00 2626251264.00 2364772096.00 2356145408.00 2083757184.00 2046312960.00 2405479936.00 2491496960.00 1909397632.00 3110085120.00 2129993856.00 2044365952.00 2103140864.00 2365094912.00 1590653568.00 1357912960.00 2053968256.00 1975972992.00 2001105920.00 1950786944.00 2219296000.00 1905728768.00 2490647808.00 2702770176.00 2186921472.00 1784184576.00 1967817216.00 1903519360.00 1736971264.00 1907706624.00 2157684480.00 2486121216.00 1737298176.00 1751846400.00 1788194176.00 2540624384.00 1987798016.00 1707988480.00 1903345920.00 2488477696.00 1918684416.00 1985329664.00 1636969472.00 glucuronate 9677071.00 8662038.00 9714042.00 13143902.00 14401508.00 7223607.00 11892055.00 15543321.00 16831104.00 7348204.00 12236139.00 11568901.00 8861427.00 9466846.00 12018612.00 7459081.00 10145074.00 7318906.00 10716579.00 9323679.00 9937647.00 7094872.00 16150362.00 15262091.00 8794490.00 19790612.00 15604913.00 11216247.00 12889014.00 6101014.00 26833108.00 6789239.00 7908367.00 6229716.00 8071258.00 6139692.00 6902297.00 8240427.00 9592357.00 9779150.00 9670577.00 11006341.00 11436648.00 8102207.00 6283418.00 7378293.00 13962699.00 14777806.00 10905231.00 5773757.00 8019134.00 4391490.00 8325447.00 7823141.00 7509115.00 6819179.00 16951410.00 6756046.00 8677118.00 11202286.00 glutarate (pentanedioate) 1451257.00 1940489.00 1955875.00 1167287.00 2253721.00 1476270.00 1389239.00 2796660.00 1506325.00 1426555.00 2912495.00 2676747.00 2264659.00 2560342.00 1325433.00 2562322.00 1484596.00 1408329.00 1943722.00 924884.00 1978650.00 1713935.00 2295560.00 947180.00 1169962.00 3074058.00 1992116.00 1899142.00 1151608.00 910196.00 1811415.00 2727632.00 2345146.00 735022.00 1170852.00 1025236.00 1091914.00 1048797.00 1072102.00 2751037.00 5336955.00 1502333.00 1474608.00 1167387.00 1250171.00 6024434.00 980288.00 10228076.00 14802883.00 2282681.00 1352167.00 1147182.00 904803.00 2208809.00 1040345.00 1988872.00 889373.00 2799155.00 4144190.00 1577656.00 glycerate 76664376.00 95293960.00 90977984.00 88540264.00 88406112.00 116253040.00 95044688.00 122175816.00 88839296.00 70447368.00 95390024.00 121952336.00 40252676.00 58936356.00 89805248.00 115217944.00 82603664.00 89645424.00 87737136.00 100186784.00 116747152.00 94710400.00 92095640.00 101483400.00 69090888.00 117682984.00 114823280.00 84584944.00 78672296.00 72015376.00 57056084.00 111192056.00 47092936.00 101269864.00 68741064.00 102024504.00 64341268.00 73101296.00 74536424.00 118490040.00 28633268.00 90860976.00 70481296.00 97311928.00 54952128.00 72471848.00 76879280.00 60324784.00 68643880.00 71186368.00 82324344.00 41004396.00 64485564.00 38586864.00 58001960.00 71458784.00 100562536.00 68862912.00 65976808.00 72113400.00 glycerophosphoethanolamine 490418.00 584798.00 386590.00 1144221.00 587856.00 884197.00 696272.00 611953.00 1254995.00 132153.00 809481.00 675722.00 532472.00 519830.00 591467.00 751952.00 776859.00 309994.00 640182.00 724627.00 1280737.00 658036.00 1417057.00 241063.00 659631.00 947803.00 1720267.00 847919.00 912973.00 424768.00 988589.00 432669.00 467220.00 636874.00 459985.00 536798.00 538947.00 701495.00 1095881.00 1190673.00 828949.00 775892.00 714440.00 840872.00 637513.00 333072.00 923267.00 541082.00 662801.00 374132.00 960493.00 383220.00 724123.00 741772.00 600271.00 499550.00 854736.00 482706.00 588922.00 631947.00 glycerophosphorylcholine (GPC) 6083763.00 7565222.00 6874299.00 12447906.00 5742161.00 10489654.00 7595304.00 5363798.00 16897050.00 6381246.00 9468112.00 9317045.00 8480639.00 5287298.00 5395109.00 9747707.00 12498340.00 4789337.00 5843620.00 11412308.00 10931605.00 6403613.00 25584422.00 7055306.00 9638658.00 9936929.00 18028052.00 11765591.00 9245563.00 5836228.00 9257156.00 5704921.00 5382384.00 8091419.00 7600231.00 8663490.00 9189608.00 7181694.00 10226784.00 20928300.00 6331258.00 7138555.00 9180046.00 8135075.00 9379621.00 7358924.00 10797920.00 8632449.00 6150304.00 6558649.00 9758297.00 6325527.00 9092053.00 9028073.00 7739776.00 6888009.00 11362293.00 6650590.00 7697940.00 11158724.00 guanidinoacetate 746418.00 839041.00 916337.00 740134.00 585010.00 403248.00 833540.00 716432.00 946937.00 933626.00 1123563.00 1340989.00 663935.00 283204.00 463143.00 1253346.00 757061.00 988189.00 798696.00 669964.00 745692.00 392202.00 954399.00 788965.00 663663.00 861954.00 477956.00 744574.00 795423.00 796684.00 1070093.00 810702.00 408036.00 627684.00 774339.00 554544.00 1282529.00 835628.00 1119860.00 812098.00 836745.00 1018789.00 763744.00 695191.00 939287.00 763243.00 1057655.00 328648.00 514922.00 227276.00 711557.00 346640.00 845348.00 703668.00 820325.00 947080.00 692840.00 516558.00 743113.00 888533.00 gulonic acid* 7666832.00 9397859.00 13105821.00 393503.00 4737297.00 7893717.00 5902464.00 6665796.00 7035426.00 4468402.00 7900006.00 5997987.00 6903742.00 8275624.00 9264154.00 6120242.00 11145834.00 4331046.00 6585833.00 10973292.00 7509662.00 8011364.00 7588925.00 10265467.00 7502459.00 5518429.00 11421350.00 4279966.00 4614100.00 7601320.00 11156480.00 7619935.00 5426265.00 3341217.00 5863906.00 4652861.00 6873609.00 10305258.00 7131173.00 4881261.00 4146444.00 4308658.00 7260695.00 11453346.00 2359560.00 8934306.00 3738821.00 4010907.00 5599521.00 hydantoin-5-propionic acid 553715.00 425746.00 942288.00 115635.00 340911.00 908760.00 1284894.00 586765.00 393549.00 1610233.00 666592.00 1288307.00 580139.00 508644.00 680956.00 731168.00 1007247.00 525441.00 187444.00 941397.00 620310.00 2410132.00 284047.00 949829.00 2620305.00 526735.00 499789.00 307824.00 674843.00 594384.00 536441.00 1107770.00 514658.00 449171.00 1000029.00 387159.00 803569.00 550506.00 733905.00 240189.00 248807.00 848253.00 175513.00 140472.00 175506.00 249253.00 821003.00 235515.00 406375.00 478518.00 imidazole lactate 5677830.00 4481601.00 3530079.00 5551734.00 4566761.00 7814097.00 7568690.00 4923019.00 3728445.00 5942673.00 13050195.00 15806164.00 6025449.00 8917658.00 12379550.00 5540771.00 3487098.00 5206462.00 6269911.00 9566289.00 5155233.00 5330253.00 5988823.00 2031873.00 2638982.00 3288836.00 7051916.00 7386018.00 13680882.00 3119990.00 3715956.00 4780755.00 3770508.00 2070142.00 6541550.00 1938647.00 5860460.00 5654406.00 5135235.00 4961796.00 8456754.00 3981879.00 4914872.00 1337658.00 2690569.00 3721999.00 5779212.00 2833466.00 29576860.00 1376130.00 3837689.00 1513085.00 3960632.00 3992452.00 2379505.00 3297633.00 7018829.00 1852528.00 2651032.00 3739557.00 maleate 3625535.00 3930384.00 3156946.00 3108764.00 4314423.00 4199213.00 3962958.00 4208662.00 4523143.00 2129724.00 2954918.00 3699514.00 3148524.00 2834992.00 4023070.00 3224876.00 2579451.00 2694572.00 4213694.00 3647840.00 4671934.00 4002097.00 5058694.00 2963358.00 2771321.00 4347950.00 4497162.00 3946595.00 2705075.00 3134601.00 7346443.00 2010811.00 4417922.00 3122629.00 2186121.00 3329625.00 2368886.00 2298133.00 4132732.00 4324346.00 4452062.00 3358675.00 4084073.00 2459953.00 1935598.00 1920887.00 8979209.00 4363783.00 3348774.00 1727672.00 2587219.00 3070443.00 6841635.00 3125221.00 6578189.00 3088284.00 3914307.00 3114538.00 2698609.00 11217359.00 malonate 51957192.00 45033832.00 61432960.00 55790304.00 41374592.00 47831840.00 53416524.00 68030072.00 38312448.00 34785308.00 51496112.00 28048066.00 47096780.00 54649056.00 28442228.00 48249300.00 45094884.00 46638864.00 41736048.00 56281228.00 47488668.00 40691476.00 61893048.00 29218952.00 31615716.00 64280428.00 24658340.00 58405340.00 29193022.00 34658804.00 32108820.00 41450456.00 25579732.00 34832944.00 32476968.00 37945596.00 25803686.00 40336940.00 22497222.00 37394844.00 43532520.00 39139112.00 27350128.00 32843982.00 19576266.00 28877410.00 22265622.00 46215772.00 30566460.00 25375100.00 28280368.00 27750920.00 37693768.00 31880238.00 30314416.00 38833936.00 37444984.00 48763752.00 25393644.00 25045576.00 maltose 534599.00 268108.00 536465.00 282705.00 199391.00 653516.00 1012160.00 622850.00 625916.00 564082.00 913672.00 606113.00 1558968.00 464298.00 1126020.00 803794.00 342374.00 1670010.00 584344.00 596605.00 1116250.00 1121170.00 1336813.00 1356681.00 1102693.00 806525.00 1271808.00 458735.00 419830.00 467008.00 569823.00 502982.00 298606.00 637696.00 1463557.00 735254.00 944713.00 814884.00 228496.00 462903.00 3240152.00 856160.00 756486.00 553988.00 658009.00 980411.00 719998.00 796020.00 645531.00 266519.00 1683420.00 1054753.00 250631.00 1288960.00 mannitol/sorbitol 2596506.00 13653318.00 2564528.00 2720513.00 83190776.00 2105686.00 4108598.00 3215224.00 2207075.00 1971264.00 2605595.00 3955057.00 17205110.00 1886662.00 2044762.00 4074055.00 2882889.00 2801774.00 3249073.00 2678938.00 3032530.00 1665338.00 4306382.00 3404723.00 2938357.00 2978924.00 3447857.00 4271038.00 3010750.00 1835766.00 3454483.00 2820346.00 2428505.00 1978496.00 1992571.00 2631416.00 2028032.00 1904773.00 2733719.00 3359744.00 7083862.00 25791624.00 5786168.00 2203301.00 4217639.00 9143021.00 6278657.00 3480905.00 72254768.00 1636669.00 3009624.00 7171062.00 2515014.00 51243996.00 3299743.00 2049287.00 31101978.00 2395874.00 2542240.00 6422055.00 mannose 45495128.00 31882030.00 38864236.00 30932698.00 24637394.00 26640314.00 40897060.00 34371440.00 26972984.00 28403902.00 46892636.00 31134134.00 34471848.00 31666834.00 44448788.00 23311336.00 37131636.00 33487868.00 38128860.00 21769872.00 70731984.00 26839474.00 49359644.00 21954768.00 39249276.00 41604136.00 73108408.00 64290592.00 36343072.00 41850756.00 30186018.00 23483826.00 20300724.00 38557080.00 41261096.00 14380162.00 26509296.00 33320898.00 36079888.00 17275156.00 36268744.00 13095387.00 37979552.00 15161702.00 15341348.00 13158118.00 14155629.00 20227464.00 20662716.00 26200318.00 18581034.00 21000776.00 26354448.00 14871869.00 21405116.00 24477536.00 32603516.00 41796024.00 19494568.00 29016506.00 methylmalonate (MMA) 4551842.00 7131454.00 8571579.00 3700438.00 10250006.00 6203981.00 6871065.00 11538986.00 11221925.00 2892547.00 6473619.00 7421595.00 6548530.00 13955661.00 5821915.00 10021045.00 6062049.00 6325330.00 15511788.00 6080231.00 5968313.00 4358741.00 10190878.00 3731479.00 5718217.00 4839776.00 6024826.00 6357272.00 11181521.00 2343890.00 8366254.00 5345935.00 4881313.00 5203001.00 4068961.00 3860840.00 6879248.00 5070845.00 6197371.00 5653640.00 6996263.00 5880259.00 6793237.00 4018976.00 8015947.00 3856310.00 8623568.00 5971290.00 8263246.00 3233927.00 5969879.00 5302922.00 10066797.00 4910184.00 8198659.00 9437440.00 17331312.00 5308360.00 5189687.00 4988843.00 methylsuccinate 953870.00 1132658.00 1312649.00 1181209.00 1910486.00 1355850.00 1133382.00 1684314.00 607763.00 835321.00 1529853.00 666789.00 1374458.00 1642716.00 780855.00 982477.00 1997044.00 1020862.00 1218358.00 689797.00 1080494.00 1072077.00 1423609.00 882735.00 1259381.00 1394769.00 641698.00 988131.00 1007108.00 934970.00 868532.00 937421.00 1001978.00 629163.00 740596.00 1106837.00 1061032.00 793460.00 1713973.00 2755637.00 984312.00 1023798.00 810454.00 967267.00 1062522.00 700746.00 1160310.00 1060823.00 1039045.00 603575.00 485938.00 448887.00 1108270.00 1345108.00 1140677.00 644161.00 804053.00 682108.00 547609.00 1486749.00 myo-inositol 27083732.00 30579208.00 26034562.00 41830308.00 36450380.00 27693216.00 28412616.00 55703176.00 14251497.00 22233602.00 21648978.00 44788644.00 37321068.00 21386510.00 20402588.00 36608848.00 22943126.00 40193040.00 33302378.00 39326492.00 19115464.00 21296272.00 26644522.00 14567988.00 16657618.00 19983480.00 18811532.00 28323648.00 28829614.00 24231826.00 15171580.00 23445806.00 12341657.00 16431399.00 15795590.00 29495716.00 14821914.00 27422582.00 12241158.00 31665768.00 11937429.00 20524890.00 17731416.00 16700167.00 12352390.00 12458944.00 11754456.00 16079495.00 15598453.00 24228794.00 15717693.00 17840948.00 18626572.00 18189272.00 16559326.00 20536370.00 29573650.00 22156322.00 11874300.00 15050816.00 N-acetylalanine 19744948.00 17308788.00 21768024.00 20197432.00 23128846.00 23681134.00 22819728.00 26024402.00 20815202.00 20373642.00 24980340.00 16588126.00 22211428.00 18748292.00 16198681.00 16092058.00 22541852.00 18763716.00 20153664.00 30104170.00 19292312.00 18613576.00 23151570.00 14637298.00 20137996.00 20030280.00 20938034.00 24186684.00 23292684.00 16766155.00 18811176.00 13533307.00 20249898.00 12522343.00 17928592.00 17820744.00 20965138.00 14941324.00 16480773.00 23888318.00 13784809.00 12688092.00 12431068.00 13331151.00 15318940.00 11824322.00 20254056.00 18197568.00 15632052.00 12593647.00 14827314.00 15001747.00 11114395.00 14779632.00 16846872.00 13958107.00 20160804.00 15833292.00 22123484.00 15152312.00 N-acetylaspartate (NAA) 4671975.00 6459395.00 6471868.00 4825481.00 4846102.00 5226367.00 4450259.00 7310970.00 6369096.00 4619587.00 6166475.00 4084404.00 6376671.00 4114118.00 3765000.00 5018260.00 6034507.00 6772764.00 4758141.00 5610161.00 6784850.00 5313954.00 6185335.00 4721464.00 5129171.00 7500390.00 4227106.00 6937227.00 4219589.00 3265756.00 4351473.00 4188383.00 4099254.00 3419022.00 2911171.00 4290650.00 4681402.00 3339380.00 3238868.00 8041233.00 3710251.00 4938514.00 2818970.00 4342094.00 3335361.00 2246188.00 4792236.00 3345566.00 3119678.00 2068265.00 2629724.00 2309902.00 4021802.00 3378899.00 2827968.00 2578411.00 4096682.00 3394473.00 2954585.00 3422363.00 N-acetylglutamate 570091.00 802949.00 883339.00 635527.00 971561.00 480601.00 786562.00 1142906.00 694846.00 490021.00 1007655.00 588249.00 778541.00 755881.00 542631.00 571051.00 638204.00 685381.00 927465.00 863317.00 909418.00 600392.00 766766.00 344070.00 518425.00 847371.00 752259.00 845886.00 563292.00 430793.00 900499.00 397762.00 501293.00 319814.00 493710.00 435219.00 457614.00 443269.00 563076.00 831002.00 535936.00 955229.00 722660.00 504005.00 334643.00 293891.00 820851.00 518626.00 200377.00 289684.00 251766.00 1095335.00 535260.00 624511.00 402120.00 666634.00 570190.00 625158.00 625737.00 N-acetylserine 24300776.00 17080396.00 26567418.00 22698520.00 28200636.00 27126872.00 24718986.00 31179304.00 26858900.00 19603136.00 29579844.00 23142772.00 25079322.00 21924904.00 19523760.00 18407416.00 29564472.00 22686164.00 25315202.00 37611348.00 23547368.00 19723688.00 33238846.00 16702563.00 27400440.00 27583146.00 25791064.00 30968208.00 25784026.00 22702480.00 22297110.00 16886380.00 26067476.00 14414766.00 24000736.00 20993118.00 22789096.00 14113493.00 21817412.00 28702258.00 11536191.00 17166026.00 15152178.00 11374522.00 16040405.00 9636930.00 19303724.00 13874159.00 15279917.00 12521300.00 17483380.00 16073078.00 12068136.00 14126941.00 18767912.00 11371232.00 26499812.00 20907192.00 23864716.00 13352302.00 N-acetylthreonine 21338784.00 15791914.00 21567354.00 12035367.00 22590888.00 20844238.00 23023112.00 22415016.00 23385912.00 18173564.00 24324630.00 18072866.00 22033502.00 17235264.00 19147964.00 14909132.00 22633280.00 17680512.00 19112508.00 24702206.00 16772059.00 12520706.00 24148316.00 14111394.00 26688748.00 18333690.00 21156930.00 24038088.00 21864788.00 17261772.00 17382836.00 12818232.00 19269060.00 11673282.00 16597249.00 18644698.00 20451708.00 15805678.00 16756136.00 34927112.00 11275421.00 11924928.00 11481544.00 11553288.00 15021408.00 9342926.00 17952832.00 14532644.00 11816773.00 9460701.00 15139918.00 12879105.00 9771303.00 11572360.00 15002294.00 10641977.00 18757716.00 14456382.00 18867374.00 13152094.00 N-delta-acetylornithine 1537991.00 224200.00 766879.00 3214011.00 4600636.00 369867.00 1065949.00 2143367.00 1657919.00 679597.00 1503268.00 2096854.00 559000.00 1640697.00 1029524.00 1391676.00 2549574.00 1755382.00 526510.00 5617831.00 1934903.00 460382.00 1099785.00 509666.00 480320.00 1115712.00 1366191.00 2147113.00 558170.00 3621637.00 955472.00 1465858.00 1399215.00 1038187.00 756300.00 1902044.00 1353251.00 581779.00 698274.00 2096413.00 1179097.00 1916937.00 2544288.00 1238679.00 1248489.00 290904.00 2213372.00 1374107.00 1973353.00 1990119.00 649914.00 1091758.00 544603.00 727882.00 903628.00 1311771.00 1497121.00 1728231.00 675504.00 973854.00 orotate 1819358.00 2546925.00 2661661.00 3660802.00 1805011.00 2554198.00 4102110.00 4160714.00 3135630.00 2933667.00 2793831.00 2025764.00 2242293.00 3791179.00 2080119.00 3828748.00 1915751.00 2284136.00 2375664.00 3117910.00 3617928.00 2151697.00 3162199.00 1331817.00 3214025.00 2555426.00 3723361.00 2615520.00 2027295.00 1751707.00 1258010.00 2231210.00 1817287.00 1604353.00 2942378.00 14638696.00 3952746.00 2521899.00 2253150.00 4749123.00 1038108.00 1879029.00 1707125.00 1850809.00 2241155.00 939576.00 2921571.00 2169558.00 1823180.00 1133561.00 1781801.00 2428190.00 2502801.00 2278251.00 1747390.00 1456069.00 3573847.00 2565724.00 1857588.00 2866994.00 orotidine 646499.00 458801.00 1030603.00 542186.00 1329190.00 507837.00 556797.00 3056559.00 1001633.00 415218.00 1103106.00 502656.00 1174906.00 1097485.00 590381.00 654689.00 728423.00 820788.00 1712255.00 718979.00 1145153.00 565354.00 1298818.00 582367.00 1178625.00 747492.00 1197229.00 1332026.00 1075121.00 959506.00 876685.00 1846469.00 772022.00 462107.00 656100.00 1563309.00 798531.00 574746.00 1237128.00 884487.00 701837.00 845583.00 321494.00 165415.00 679540.00 547592.00 884202.00 901779.00 705701.00 368786.00 803083.00 985450.00 160953.00 553396.00 847144.00 354512.00 908779.00 923700.00 473269.00 701414.00 phenylpyruvate 292539.00 385768.00 503356.00 330307.00 579353.00 470994.00 432082.00 616373.00 746627.00 317454.00 604715.00 1143499.00 726802.00 367219.00 522049.00 753836.00 697972.00 718082.00 992130.00 442985.00 476949.00 556836.00 568338.00 406322.00 593383.00 376151.00 802905.00 788142.00 788328.00 724021.00 453280.00 549838.00 210324.00 387961.00 830236.00 358874.00 893334.00 412689.00 546185.00 388353.00 838469.00 742721.00 590435.00 208798.00 459586.00 370318.00 566207.00 1143552.00 286711.00 495296.00 505051.00 884175.00 519633.00 443772.00 206898.00 756674.00 404828.00 674762.00 641262.00 pyruvate 16171891.00 34776140.00 29059850.00 19241620.00 24705352.00 25650364.00 41349052.00 70230600.00 45364732.00 26525796.00 51775012.00 37226340.00 24173428.00 47269016.00 21056114.00 19401116.00 18884032.00 36099308.00 59386512.00 30893310.00 26701984.00 22736072.00 22890634.00 23410856.00 21635110.00 25985558.00 29207236.00 66294056.00 15022312.00 28571516.00 58635952.00 25037500.00 15751614.00 9785887.00 22157164.00 20833968.00 39121528.00 19301062.00 22091568.00 42070788.00 46483552.00 60239428.00 25044824.00 21328396.00 9788375.00 17974464.00 11360938.00 6170617.00 39144532.00 12010470.00 7213325.00 19752356.00 34528888.00 21115524.00 16384476.00 22103490.00 26389242.00 13424798.00 29803974.00 23743830.00 quinate 1040132.00 32384758.00 43541640.00 89191160.00 19907602.00 17043116.00 15217579.00 46229092.00 19641972.00 9846655.00 168511.00 520902.00 2028639.00 17149226.00 3012001.00 34903568.00 8445944.00 7127948.00 442492.00 405020.00 14852405.00 535451.00 317303.00 2804068.00 26153824.00 60877644.00 8704888.00 48361868.00 11295177.00 4947673.00 1845590.00 6424025.00 1451297.00 154708272.00 11512364.00 275000.00 982949.00 3685187.00 476485.00 123273808.00 1684982.00 52930968.00 497141.00 2913263.00 222535.00 2014563.00 186872848.00 ribitol 208531.00 303508.00 272765.00 216030.00 162809.00 305446.00 315591.00 144931.00 392591.00 302966.00 317664.00 192077.00 161575.00 270197.00 314366.00 215031.00 333726.00 191862.00 299299.00 203925.00 302007.00 167800.00 330391.00 456471.00 449549.00 122166.00 433906.00 141738.00 170405.00 178928.00 292025.00 159384.00 223648.00 212722.00 358795.00 251040.00 67015.00 133732.00 152212.00 151713.00 340871.00 436974.00 421951.00 153573.00 158679.00 143575.00 200936.00 198834.00 224083.00 321221.00 144899.00 ribonate 10811345.00 8394825.00 13137860.00 9596550.00 14753548.00 6928127.00 22533864.00 14310552.00 12660987.00 10959666.00 17311938.00 18392196.00 14148626.00 15186781.00 14974847.00 7865856.00 15562705.00 15367575.00 17671886.00 15145131.00 15449500.00 15544598.00 16348053.00 8468726.00 22169102.00 16944056.00 18995724.00 16397717.00 19022770.00 14998690.00 13498347.00 11831032.00 13859769.00 12327468.00 15110845.00 18006760.00 10858230.00 9052455.00 10495692.00 20979974.00 9390973.00 11794962.00 7658927.00 10298991.00 10389043.00 10623489.00 11986943.00 11170450.00 12038524.00 5872790.00 12730049.00 11795791.00 15182754.00 13987242.00 12545254.00 8731982.00 13852608.00 12402367.00 8005706.00 10313752.00 salicylate 442270.00 23860786.00 6824697.00 9714559.00 3642119.00 1658283.00 4121000.00 1894980.00 2417234.00 1424966.00 3379885.00 9260335.00 2368142.00 2198390.00 407492.00 9205550.00 791695.00 116324528.00 7349910.00 8884487.00 3044069.00 5103888.00 4517697.00 3582047.00 3049542.00 3348662784.00 444946.00 1737105.00 834199.00 3717617.00 527500.00 12546853.00 2791509.00 4440490.00 755706.00 8266866.00 531262.00 4809241.00 771971.00 4541448.00 1042408.00 7133180.00 2179049.00 1056021.00 2145707.00 2713004.00 6886485.00 14634324.00 2174593.00 1021135.00 1112663.00 44255336.00 2742198.00 1805858.00 1859850.00 1468382.00 1094876.00 3912366.00 11876882.00 1041459.00 serine 57290056.00 89789936.00 87642320.00 63558800.00 56732716.00 105140616.00 62449472.00 76718912.00 84623280.00 80848592.00 98987288.00 89784928.00 73622600.00 91772824.00 56747368.00 95555728.00 71114248.00 92678384.00 73101888.00 76268752.00 113009624.00 65524008.00 71937560.00 73595912.00 67752336.00 66468328.00 75370072.00 74404288.00 67712848.00 67466448.00 60843092.00 73304192.00 50891036.00 54173332.00 65977168.00 84110384.00 77202504.00 67691552.00 89748840.00 68071792.00 46331152.00 78846472.00 49462848.00 80631280.00 55294136.00 48180872.00 59416368.00 53306740.00 47390976.00 43578256.00 69406736.00 44638052.00 83145400.00 50665752.00 53693724.00 53738048.00 81369640.00 64735912.00 45429800.00 59006480.00 succinate 125900248.00 158905504.00 134941264.00 136862304.00 104310048.00 130400840.00 118557960.00 158753952.00 124977880.00 104171672.00 129776056.00 106943072.00 129772408.00 105763064.00 107157080.00 120532128.00 129954760.00 123370208.00 97812272.00 136252720.00 134280816.00 104486672.00 135097904.00 112436336.00 107927824.00 185769536.00 82216976.00 218785568.00 112784552.00 79901776.00 93071688.00 107553136.00 104442320.00 116901456.00 89826592.00 99538032.00 107996208.00 121338216.00 75400608.00 184147104.00 73695280.00 82095016.00 75466272.00 114827400.00 84561248.00 94888616.00 161771312.00 159774960.00 119440904.00 66578900.00 88343480.00 83288408.00 98297872.00 87602904.00 77852088.00 101727976.00 83288384.00 116943992.00 68388576.00 113399536.00 threonate 772171328.00 808574080.00 954082624.00 794051328.00 740771392.00 964864128.00 912979264.00 726383680.00 671777728.00 484903264.00 986990784.00 1066922880.00 84711432.00 168146096.00 900382016.00 1275610752.00 930518144.00 643220864.00 577308480.00 936659264.00 786389440.00 980239232.00 715570944.00 918139392.00 694867200.00 878968768.00 742429376.00 640219648.00 707168960.00 643217920.00 226808432.00 747435520.00 372585824.00 977488384.00 651152512.00 599006272.00 591877120.00 489610752.00 574354112.00 960516544.00 68212968.00 740371776.00 727027840.00 1066878400.00 508104928.00 944744512.00 719757952.00 452232864.00 593079808.00 672547520.00 936025152.00 47709008.00 649387968.00 109400680.00 530878048.00 954257792.00 1202917760.00 757182720.00 805283072.00 559789952.00 trans-4-hydroxyproline 6376374.00 8107469.00 6833292.00 5754145.00 42275128.00 4746110.00 9895449.00 3796411.00 11814960.00 4233032.00 14603136.00 13622784.00 11649243.00 1980178.00 5047674.00 4904673.00 7528585.00 4376278.00 5952733.00 14620223.00 7309440.00 3820423.00 7573218.00 5028777.00 6268448.00 6412683.00 4481090.00 4458899.00 20294796.00 3982021.00 3763215.00 5790167.00 5243659.00 3658960.00 3002707.00 6297550.00 15795579.00 3717697.00 6998099.00 4408154.00 6014869.00 14452238.00 3451537.00 4981318.00 7062344.00 5848592.00 3881416.00 7985721.00 6867445.00 1608609.00 7462208.00 7321625.00 5028436.00 6594291.00 3753716.00 13694252.00 12483567.00 3037993.00 5720577.00 4328868.00 metabolite_name retention index quantified m/z PubChem ID KEGG ID HMDB PLATFORM CAS 1-arachidonoyl-GPA (20:4) 1393 457.2361 LC/MS Polar 799268-65-8 1-palmitoyl-2-arachidonoyl-GPI (16:0/20:4) 892 857.5186 LC/MS Polar 1-palmitoyl-2-linoleoyl-GPI (16:0/18:2) 910 833.5185 LC/MS Polar 1-palmitoyl-2-oleoyl-GPI (16:0/18:1)* 893 835.5342 LC/MS Polar 1-stearoyl-2-arachidonoyl-GPI (18:0/20:4) 870 885.5495 LC/MS Polar 1-stearoyl-2-linoleoyl-GPI (18:0/18:2) 910 861.5499 LC/MS Polar 2,3-dihydroxyisovalerate 1050 133.0506 677 C04039 HMDB12141 LC/MS Polar 1756-18-9 2-hydroxybutyrate/2-hydroxyisobutyrate 1258 103.0401 LC/MS Polar 2-hydroxyglutarate 3352.8 147.0299 43 C02630 HMDB00606 LC/MS Polar 40951-21-1 2-isopropylmalate 2605 175.0612 77 C02504 HMDB00402 LC/MS Polar 3237-44-3 3-hydroxy-2-ethylpropionate 1443.3 117.0557 188979 HMDB00396 LC/MS Polar 4374-62-3 3-hydroxy-3-methylglutarate 2700 161.0456 1662 C03761 HMDB00355 LC/MS Polar 503-49-1 3-hydroxybutyrate (BHBA) 1443.3 103.0401 441 C01089 HMDB00357 LC/MS Polar 625-72-9 3-hydroxyisobutyrate 1619.1 103.0401 87 C06001 HMDB00336 LC/MS Polar 2068-83-9 3-methylglutaconate 2579.6 143.035 1551553 HMDB00522 LC/MS Polar 5746-90-7 5-acetylamino-6-amino-3-methyluracil 1710 197.068 88299 C16366 HMDB04400 LC/MS Polar 19893-78-8 5-acetylamino-6-formylamino-3-methyluracil 1424 225.0629 108214 C16365 HMDB11105 LC/MS Polar 85438-96-6 alanine 2780.3 88.0404 5950 C00041 HMDB00161 LC/MS Polar 56-41-7 allantoin 1672 157.0367 204 C02350 HMDB00462 LC/MS Polar 97-59-6 alpha-ketoglutarate 2700 145.0143 51 C00026 HMDB00208 LC/MS Polar 305-72-6;328-50-7;22202-68-2 arabitol/xylitol 1932.4 151.0612 LC/MS Polar arabonate/xylonate 2664.6 165.0405 LC/MS Polar asparagine 2951.1 131.0462 6267 C00152 HMDB00168 LC/MS Polar 70-47-3 citrulline 3250 174.0884 9750 C00327 HMDB00904 LC/MS Polar 372-75-8 creatine 2920 130.0622 586 C00300 HMDB00064 LC/MS Polar 57-00-1 dihydroorotate 1910.1 157.0255 648 C00337 HMDB03349 LC/MS Polar 155-54-4 erythritol 1491 167.0561 222285 C00503 HMDB02994 LC/MS Polar 149-32-6 erythronate* 2186 135.0299 2781043 HMDB00613 LC/MS Polar 88759-55-1 ethylmalonate 2785 131.035 11756 HMDB00622 LC/MS Polar 601-75-2 fructose 2022.2 179.0561 5984 C00095 HMDB00660 LC/MS Polar 57-48-7 fumarate 3084 115.0037 444972 C00122 HMDB00134 LC/MS Polar 100-17-8 galactonate 3085 195.051 128869 C00880 HMDB00565 LC/MS Polar 299-28-5 gluconate 2922 195.051 10690 C00257 HMDB00625 LC/MS Polar 527-07-1 glucose 2342 225.0616 79025 C00031 HMDB00122 LC/MS Polar 50-99-7 glucuronate 3233.3 193.0354 444791 C00191 HMDB00127 LC/MS Polar 207300-70-7 glutarate (pentanedioate) 2900 131.035 743 C00489 HMDB00661 LC/MS Polar 110-94-1 glycerate 2070.4 105.0193 752 C00258 HMDB00139 LC/MS Polar 600-19-1 glycerophosphoethanolamine 3075 214.0486 123874 C01233 HMDB00114 LC/MS Polar 33049-08-0 glycerophosphorylcholine (GPC) 3003.1 302.101 71920 C00670 HMDB00086 LC/MS Polar 28319-77-9 guanidinoacetate 2884 116.0466 763 C00581 HMDB00128 LC/MS Polar 352-97-6 gulonic acid* 2750 195.051 9794176 LC/MS Polar 20246-53-1 hydantoin-5-propionic acid 2080 171.0411 782 C05565 HMDB01212 LC/MS Polar 5624-26-0 imidazole lactate 2241.6 155.0462 440129 C05568 HMDB02320 LC/MS Polar 14403-45-3 maleate 2510 115.0037 444266 C01384 HMDB00176 LC/MS Polar 110-16-7 malonate 3447 103.0037 867 C00383 HMDB00691 LC/MS Polar 141-82-2;26522-22-85-0 maltose 3329.4 387.1144 10991489 C00208 HMDB00163 LC/MS Polar 6363-53-7 mannitol/sorbitol 2260 181.0718 5780 C01507 HMDB00247 LC/MS Polar mannose 2200 225.0616 18950 C00159 HMDB00169 LC/MS Polar 3458-28-4 methylmalonate (MMA) 3078.4 117.0193 487 C02170 HMDB00202 LC/MS Polar 516-05-2 methylsuccinate 2800 131.035 10349 HMDB01844 LC/MS Polar 498-21-5 myo-inositol 3506.3 225.0616 892 C00137 HMDB00211 LC/MS Polar 87-89-8 N-acetylalanine 1564.8 130.051 88064 C02847 HMDB00766 LC/MS Polar 97-69-8 N-acetylaspartate (NAA) 3143 174.0408 65065 C01042 HMDB00812 LC/MS Polar 997-55-7;997-55-7 N-acetylglutamate 3106 188.0564 70914 C00624 HMDB01138 LC/MS Polar 8/3/2017 N-acetylserine 2000 146.0459 65249 HMDB02931 LC/MS Polar 97-14-3 N-acetylthreonine 1700 160.0615 152204 LC/MS Polar 17093-74-2 N-delta-acetylornithine 2719.9 173.0932 9920500 LC/MS Polar orotate 1638.1 155.0098 967 C00295 HMDB00226 LC/MS Polar 50887-69-9 orotidine 2250 287.0521 92751 C01103 HMDB00788 LC/MS Polar 314-50-1 phenylpyruvate 845 163.0401 997 C00166 HMDB00205 LC/MS Polar 156-06-9 pyruvate 1083 87.0088 1060 C00022 HMDB00243 LC/MS Polar 127-17-3 quinate 2432.9 191.0561 6508 C00296 HMDB03072 LC/MS Polar 77-95-2 ribitol 1789.6 151.0612 6912 C00474 HMDB00508 LC/MS Polar 488-81-3 ribonate 2425 165.0405 5460677 C01685 HMDB00867 LC/MS Polar 8/3/1936 salicylate 802 137.0242 338 C00805 HMDB01895 LC/MS Polar 69-72-7 serine 2988 104.0353 5951 C00065 HMDB00187 LC/MS Polar 56-45-1 succinate 3149 117.0193 1110 C00042 HMDB00254 LC/MS Polar 110-15-6 threonate 2384 135.0299 151152 C01620 HMDB00943 LC/MS Polar 70753-61-6 trans-4-hydroxyproline 2845.5 130.051 5810 C01157 HMDB00725 LC/MS Polar 51-35-4