metabolite_name S00017747 S00017748 S00017749 S00017750 S00017751 S00017752 S00017753 S00017754 S00017755 S00017756 S00017757 S00017758 S00017759 S00017760 S00017761 S00017762 S00017763 S00017764 S00017765 S00017766 S00017767 S00017768 S00017769 S00017770 S00017771 S00017772 S00017773 2PG/3PG 3412.9 \N 5296.0 \N 3146.0 \N 941.9 2136.8 \N 6546.7 1566.8 931.8 \N \N \N 997.7 761.7 862.7 \N \N 2373.6 \N 1020.1 \N \N \N \N 2PG/3PG_13C_1 \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N 2PG/3PG_13C_2 \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N 2PG/3PG_13C_3 11069.1 16581.8 6550.3 17157.8 15163.4 10686.1 18684.3 13108.8 13626.2 4152.3 6906.3 4645.3 7933.0 14838.2 18815.8 11316.8 18899.2 21147.0 8229.1 7575.2 3507.4 11947.4 10158.1 9615.8 7332.1 21355.5 6513.1 6PG 22399.8 16110.3 7599.2 11449.3 6936.4 7458.7 84842.0 67141.9 41166.4 8928.7 2493.6 3070.6 7410.4 11970.4 18513.3 37398.4 41212.1 45622.7 7566.2 13075.3 2292.7 8457.1 7801.5 6939.2 23940.0 38566.6 21002.6 6PG_13C_1 \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N 6PG_13C_2 \N \N \N \N \N \N 1518.5 1178.1 \N \N \N \N \N \N \N 1177.0 \N 968.8 \N \N \N \N \N \N \N \N \N 6PG_13C_3 21.1 15.2 7.1 10.8 6.5 7.0 \N \N 38.7 8.4 2.3 2.9 7.0 11.3 17.4 \N 7.4 \N 7.1 12.3 2.2 8.0 7.3 6.5 22.5 6.3 19.8 6PG_13C_4 4.6 3.3 1.6 2.3 1.4 1.5 \N \N 8.4 1.8 0.5 0.6 1.5 2.5 3.8 \N 9.7 \N 1.6 2.7 0.5 1.7 1.6 1.4 4.9 9.1 4.3 6PG_13C_5 565.2 \N 1160.5 1917.7 4673.1 2078.2 21875.1 17208.0 14585.9 1075.9 399.1 \N 2679.5 1827.6 6273.4 17449.3 8970.6 16230.0 203.8 \N \N 543.5 1832.7 1149.0 5006.2 12209.2 5139.7 6PG_13C_6 19312.9 26999.3 13300.0 42317.0 38041.6 38226.7 402932.7 294525.0 232367.6 14806.3 7705.8 5709.4 32051.3 38277.9 82140.3 144099.6 146670.7 228819.8 13137.9 21541.4 16744.3 30794.2 37840.9 30413.0 120150.0 210050.1 99698.8 ACOA 4862.5 3516.1 3867.1 4610.8 6885.2 3590.5 4684.5 2884.8 3335.4 3471.5 1821.4 1201.3 1900.4 3146.9 5199.7 4859.1 2308.0 3215.6 728.3 \N \N 3727.2 1876.9 3789.7 2049.4 3512.2 4116.8 ACOA_13C_1 \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N ACOA_13C_2 \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N ADP 90107.1 79917.9 74649.7 97495.9 170217.2 88040.4 70177.0 59154.8 52275.7 60643.7 53015.0 43026.5 67051.5 101012.7 125240.5 99695.7 62750.2 72561.9 40678.1 62764.8 29932.2 89225.2 76774.0 88716.4 30577.1 57960.2 37470.9 ADP_13C_1 1335.3 6.1 822.1 349.7 \N 180.6 868.9 949.6 303.8 \N \N 197.7 \N \N \N \N \N \N 205.1 \N \N 254.5 81.9 \N 200.0 529.3 864.9 ADP_13C_2 \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N 176.2 \N \N \N \N ADP_13C_3 \N 11.6 \N 9.5 \N 10.4 \N \N 3.5 27.5 \N 3.6 9.9 \N 38.2 \N 9.5 \N 3.2 \N 5.6 \N \N \N 1.7 1.3 \N ADP_13C_4 11.1 28.4 0.9 35.2 \N 31.6 5.1 \N 19.1 19.1 1.5 15.6 23.8 7.7 41.9 12.9 22.2 0.8 14.8 1.0 10.5 9.3 \N \N 11.2 21.5 14.8 ADP_13C_5 14438.7 13515.7 10068.6 22958.2 36238.8 22722.8 19758.2 16136.7 14807.7 9114.6 9405.6 7263.5 14721.2 20505.8 21535.7 16348.9 11290.7 14136.9 6764.9 10592.6 4292.5 21319.2 17092.8 18494.4 12575.2 22288.8 13130.9 AMP 14837.0 12933.2 16156.1 14888.8 20461.9 12570.6 14724.2 11459.5 8377.5 12386.8 6390.7 7442.7 9002.6 13371.0 19442.2 18874.8 8195.5 11191.6 6590.1 9119.8 6141.1 13585.9 9779.0 13002.5 9324.0 12315.9 10227.0 AMP_13C_1 \N \N 846.6 81.9 \N 167.1 \N 544.3 \N \N 54.7 \N 481.3 18.0 \N \N \N \N \N \N \N \N 433.7 169.5 \N \N \N AMP_13C_2 \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N AMP_13C_3 \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N AMP_13C_4 \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N AMP_13C_5 \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N ASP 999550.2 1051268.0 755614.6 471731.6 331478.5 308858.9 185106.4 100899.6 98497.8 557767.9 385772.7 521108.3 164912.2 402958.9 365222.4 75851.9 67757.2 79871.5 395641.8 698773.6 324446.8 379548.1 322596.6 373687.9 101328.4 189264.5 78547.4 ASP_13C_1 2620.5 1067.0 \N 785.4 3182.1 290.7 \N \N 152.5 230.9 49.5 1692.5 506.8 2774.2 3678.1 \N \N \N \N 2161.6 \N 3691.4 2473.6 2338.5 \N \N \N ASP_13C_2 18314.5 18570.4 15291.5 13922.2 11862.0 10270.8 \N \N \N 6774.2 4950.5 6657.8 4433.9 15794.2 16575.4 \N \N \N 4628.9 8275.3 4019.1 14801.6 11947.1 13321.2 \N 2073.2 \N ASP_13C_3 \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N ASP_13C_4 \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N ATP 896365.1 845999.1 809178.4 1269795.3 1441551.1 1118119.9 452505.5 396563.6 325351.1 612792.0 398095.2 502818.6 734911.0 1130483.3 1404934.9 341098.7 308837.7 339285.7 261522.1 602317.9 276661.6 1257804.2 918029.2 1190154.9 232616.1 468433.6 317919.8 ATP_13C_1 \N \N 2506.4 2020.5 \N 1248.0 763.4 \N 774.8 3024.1 1165.6 \N \N 1119.9 \N \N 1020.2 905.4 \N \N 829.9 6034.8 264.3 \N 1340.6 \N \N ATP_13C_2 759.4 3210.0 2097.5 2517.1 4658.1 3160.5 2914.5 573.7 \N 1380.0 1120.5 1637.1 2690.2 1219.8 6263.5 \N 179.7 \N 235.8 460.4 \N 3073.0 2126.0 1983.0 \N 2569.6 1369.2 ATP_13C_3 2454.9 4048.8 5165.2 8409.0 9569.5 6792.3 5399.2 3181.3 2515.5 3196.6 2001.9 3469.7 5601.0 7355.5 9178.5 2170.4 1522.2 1813.5 1015.6 2099.1 757.9 7067.6 5091.6 6024.1 2399.7 5401.0 2790.5 ATP_13C_4 73.0 \N 701.0 809.8 67.3 1485.7 \N \N \N \N \N \N 191.7 102.6 332.0 \N \N \N \N \N \N 1368.5 960.0 1285.0 \N 284.0 \N ATP_13C_5 133229.5 133860.0 122530.5 281398.2 302519.8 244113.0 131188.6 105741.2 93261.8 95744.3 62985.9 76877.2 147002.4 209703.2 279103.6 59596.2 54856.2 61007.8 35472.5 77431.6 35716.4 249582.5 182022.8 233219.9 68513.0 136284.4 93026.7 CIT/ICIT 994682.3 935171.4 849323.3 1459639.7 1604691.3 1387806.1 1405286.2 1598034.1 1165073.7 1002235.5 786714.2 741380.9 1410056.7 1468816.9 2381548.2 1355152.3 1344598.3 1598573.3 719993.3 1131305.0 874187.4 1544014.5 1338562.1 1377481.3 849044.0 1217287.7 1001919.4 CIT/ICIT_13C_1 10371.7 8310.2 5247.6 11226.7 12935.4 10696.7 5838.5 2300.1 2671.2 4181.8 2917.7 4741.2 13032.4 13159.5 14835.1 \N 9068.3 7647.8 718.5 4181.1 5731.7 9154.1 7205.8 7530.0 5086.9 11099.1 3584.1 CIT/ICIT_13C_2 69416.5 79239.6 42449.5 171178.7 120371.4 125182.8 80774.6 55318.0 62558.3 21671.0 19302.0 19865.3 98993.2 146104.3 198905.3 29648.2 37583.0 37754.0 21796.0 37190.7 19054.9 165064.4 143310.8 153072.0 56052.2 112920.2 58225.8 CIT/ICIT_13C_3 1025.3 5790.4 \N 28791.2 23135.4 22961.9 53388.1 37303.9 30302.6 234.4 212.8 \N 18485.6 26251.9 34745.0 26328.7 30559.9 40620.2 1051.8 2943.1 1743.7 27523.0 23506.5 27694.8 17346.4 45738.5 18181.2 CIT/ICIT_13C_4 \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N CIT/ICIT_13C_5 2333.3 2496.9 1571.3 7972.0 5483.7 6283.1 3490.5 3747.8 5799.9 2249.8 1060.9 6.0 887.1 8675.1 13094.9 1301.1 2899.8 5790.8 1420.6 2126.1 1248.3 6411.7 2877.3 1420.8 5941.6 11736.8 4450.6 CIT/ICIT_13C_6 40853.9 17828.2 41493.8 29853.4 43551.4 19215.8 40255.3 33071.3 17069.2 43907.2 19660.6 22397.6 20540.3 29635.1 43220.6 31506.5 32979.3 30273.5 30417.1 32871.8 30976.8 18290.2 15550.5 22615.2 16200.3 27292.5 18972.5 E4P 2362.1 5407.4 7581.0 6289.7 5511.0 3422.3 4829.2 5471.8 6494.0 5478.3 3326.9 2412.2 4064.5 5180.8 7668.2 6388.3 3674.6 6105.7 5007.7 6773.6 3233.1 5566.8 5580.1 5034.8 5153.7 8137.2 5255.0 E4P_13C_1 \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N E4P_13C_2 \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N E4P_13C_3 \N \N \N \N \N \N 1.7 \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N E4P_13C_4 \N \N \N \N \N \N 2287.7 \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N FBP 9518.6 3188.9 28085.8 5053.8 17090.4 3314.8 8890.6 6080.3 3871.9 22450.7 7931.8 9395.5 5685.4 7046.4 8489.7 13841.0 6304.0 12098.5 3088.2 4964.7 6627.7 4933.0 1405.5 1696.5 4981.2 5132.5 944.7 FBP_13C_1 \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N FBP_13C_2 \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N 1235.2 FBP_13C_3 11.0 3.7 32.4 5.8 19.7 3.8 10.3 7.0 4.5 25.9 9.2 10.8 6.6 8.1 9.8 16.0 7.3 14.0 3.6 5.7 7.7 5.7 1.6 2.0 5.8 5.9 \N FBP_13C_4 2.8 0.9 8.3 1.5 5.0 1.0 2.6 1.8 1.1 6.6 2.3 2.8 1.7 2.1 2.5 4.1 1.9 3.6 0.9 1.5 1.9 1.4 0.4 0.5 1.5 1.5 \N FBP_13C_5 25901.5 \N 38974.6 \N 73351.4 \N 9843.5 12779.0 \N 43167.1 20241.5 2269.1 1680.4 \N 6224.7 16252.9 12277.5 2336.5 \N \N 11178.3 \N \N \N \N \N 0.8 FBP_13C_6 2218.1 5173.9 39368.8 2487.9 59117.6 1907.3 88967.3 1489.8 70266.2 43681.3 2327.4 27069.4 37662.9 4841.4 4396.7 1970.1 77263.6 4318.7 28683.9 2690.6 24247.2 1939.5 43693.2 2528.7 58416.0 137346.7 54944.6 G3P 8001.4 5164.2 6050.6 11537.0 10371.5 8606.2 1812.8 1847.9 \N 1713.2 1034.3 2219.6 7557.0 10937.9 15617.9 1376.1 1900.9 1195.6 2126.4 2417.2 1998.3 6794.4 8664.4 7336.3 1546.0 \N 1787.6 G3P_13C_1 2796.2 1435.1 1085.9 \N 2804.7 1244.6 2960.4 2059.4 1722.5 \N \N \N 821.2 \N 1019.7 3407.0 2964.7 3407.5 \N 1344.0 \N \N 735.4 \N \N 2002.1 1285.1 G3P_13C_2 \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N G3P_13C3 8474.6 7076.3 4564.6 19203.2 16703.1 16443.8 2378.9 2202.5 1562.5 2462.2 1947.4 3094.3 13712.5 19684.8 27950.1 1509.9 2293.3 \N 3140.2 4804.5 2294.7 16905.2 16747.9 16843.1 1407.9 1380.6 1852.5 G6P/F6P 11188.8 10984.6 12978.3 10840.2 11739.4 7452.2 13023.9 9268.0 9271.1 12841.9 5882.5 4754.6 4352.7 7759.1 10389.1 9369.6 7770.2 8443.5 4537.3 5098.5 4206.9 7711.3 6818.4 7492.9 7587.4 15484.5 7369.6 G6P/F6P_13C_1 \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N G6P/F6P_13C_2 1698.3 4716.8 2494.3 4222.0 5191.3 4081.6 \N 4497.3 4058.5 5913.3 5214.5 4314.4 6786.8 5314.8 6458.5 5420.5 5443.7 5531.7 6520.8 6228.2 5204.6 5882.5 3733.4 3739.4 4637.5 5208.4 5977.0 G6P/F6P_13C_3 \N \N \N \N \N \N 10.9 \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N G6P/F6P_13C_4 \N \N \N \N \N \N 2.2 \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N G6P/F6P_13C_5 3302.0 2.3 1294.4 2551.1 2311.2 2.0 2680.2 1903.8 2063.6 1310.6 1941.9 1207.0 1970.8 1663.1 2362.8 1193.2 2119.2 2.6 1958.9 2017.8 2021.3 1885.4 1141.5 1798.8 1057.5 2.5 1271.7 G6P/F6P_13C_6 63835.3 67176.1 65130.3 73491.4 72564.6 62667.0 127934.0 89471.5 88750.0 49600.3 30179.8 37506.3 41767.4 69864.1 88892.4 86730.7 62631.5 70224.8 31737.5 48168.1 26716.3 64919.0 53535.2 55120.1 74463.4 129056.6 69827.4 Gl-OH3P 11532.8 10180.0 10182.5 15751.1 11276.0 10062.2 11069.1 6979.2 7906.0 9796.8 5448.3 6315.9 7739.4 10625.1 16381.0 8153.5 10885.0 10423.5 5449.5 8620.7 4324.6 10635.6 8687.5 9732.7 6146.5 14356.1 6176.3 Gl-OH3P_13C_1 2433.2 2001.8 1464.0 3265.3 3380.1 2331.2 4796.1 3732.9 2703.4 733.1 \N 601.9 1067.6 2279.6 2501.4 5197.9 1039.2 1587.5 715.9 323.0 703.1 1683.0 2096.1 2935.6 2721.5 3454.2 2738.5 Gl-OH3P_13C_2 \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N Gl-OH3P_13C_3 23500.8 24004.5 17234.3 23309.0 24943.1 21095.1 33939.1 27491.3 24312.1 13672.9 9651.1 13056.5 16565.5 22527.2 25834.0 32522.2 32441.7 35044.1 9310.5 15319.1 8944.8 24141.2 17432.9 15700.8 26815.7 43242.5 29116.1 GLU 4816636.2 5590808.9 4225810.6 5863257.7 4937711.1 4722280.7 3189357.7 2223996.2 2458819.5 3362606.0 2309008.5 2875286.3 2821785.8 5448985.9 5977994.6 2270729.1 1971794.3 2194332.2 2447590.3 4071941.6 1896289.5 5164015.5 4134649.0 4575019.0 2187807.4 3993079.5 2258540.0 GLU_13C_1 5040.4 \N 5792.4 7819.7 9365.6 2605.1 \N 908.6 \N 327.1 \N 2018.7 9839.2 13180.9 10688.4 \N 1020.3 734.4 \N \N 4712.5 5626.0 2817.0 8312.0 1441.8 5309.3 \N GLU_13C_2 158567.3 177691.3 136931.8 196153.7 166699.9 156317.1 20502.6 13683.7 15977.0 71585.1 48202.3 60040.9 100826.9 201897.0 210081.7 10882.0 7762.7 8735.2 51228.9 87034.6 39264.4 202034.8 161847.6 178779.1 17800.9 38261.8 18265.7 GLU_13C_3 2586.5 5682.0 4293.9 23629.3 18519.0 16415.2 6239.8 3827.1 5224.7 930.7 2061.5 1592.7 10917.8 23468.4 24644.2 4231.1 4035.3 5759.2 1375.2 2816.1 1972.2 23726.1 17785.4 20534.9 4959.3 11481.0 5862.0 GLU_13C_4 1639.6 2071.6 2156.4 7261.4 6052.1 5876.5 \N \N \N 553.9 506.9 392.0 4066.5 9061.4 8295.8 \N \N \N \N 390.5 \N 7777.5 7165.5 7835.3 \N 2284.5 1020.6 GLU_13C_5 \N 239.5 \N 1294.5 1398.6 1395.0 \N \N \N \N \N \N 724.8 3435.7 2672.7 \N \N \N \N \N \N 2953.4 2773.1 2511.7 \N 1601.1 \N LAC 5953.5 8057.7 11024.0 4627.2 18428.1 10029.9 5080.4 11896.4 7997.5 15819.9 15967.6 12230.7 14153.5 15912.5 11871.1 13026.1 12617.9 15107.5 12943.6 12192.4 10352.2 10045.9 10086.3 7376.5 8837.7 7866.3 11657.7 LAC_13C_1 340.2 \N \N \N \N \N \N 102.6 79.7 \N \N \N \N \N \N \N \N 23.8 \N \N \N 550.7 \N \N \N 0.8 \N LAC_13C_2 \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N LAC_13C_3 1294.4 1646.3 1009.1 2226.0 2047.8 3210.3 1501.2 2372.4 2366.3 1168.0 1507.8 1310.9 1942.6 1575.8 2991.0 3269.5 2655.5 2986.5 1275.7 2158.4 \N 3214.8 2801.3 2018.5 1306.5 2122.1 2626.3 MAL 808895.2 973834.1 699666.1 886799.4 836016.5 810618.9 628791.3 482670.3 524747.2 607610.7 455712.3 519886.7 550302.5 964179.9 996613.9 474980.4 395870.7 495840.0 500397.2 757356.3 416730.8 907671.4 718421.2 749888.1 409155.4 606808.8 432799.8 MAL_13C_1 3926.3 2184.8 1643.8 5780.0 3602.5 3482.0 1498.5 \N \N \N 995.6 1077.3 2349.4 3915.4 5282.2 328.1 2522.5 \N \N 2469.8 581.4 1687.1 2165.0 4135.2 1098.2 2870.4 965.5 MAL_13C_2 17310.6 20498.7 15476.4 31119.6 27338.8 29468.3 5983.9 4513.0 6867.4 7770.6 5677.8 8751.1 16714.4 27978.3 35624.5 5743.5 4453.4 5385.3 7284.6 11712.2 6627.4 30041.3 25296.5 27094.3 7836.9 13394.0 6669.1 MAL_13C_3 3941.4 5352.2 2644.1 26629.1 19816.4 19140.3 26437.1 17277.4 19400.9 1167.2 405.0 1058.4 13846.1 24156.9 27251.7 20000.8 20358.2 21985.6 2299.9 2337.8 1547.0 24215.6 18522.6 20350.7 21279.5 41795.8 21771.7 MAL_13C_4 \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N 36248.6 \N \N \N \N \N \N \N \N MCOA 4939.0 3571.5 3928.0 4683.4 6993.6 3647.0 4758.3 2930.2 3388.0 3526.2 1850.1 1220.2 1930.3 3196.4 5281.6 4935.6 2344.3 3266.2 \N \N \N 3785.9 1906.4 3849.4 2081.7 3567.5 4181.6 MCOA_13C_1 456.9 2127.8 \N 546.1 \N \N 1514.2 1884.1 \N \N \N \N \N \N \N 1667.9 1054.2 2416.2 1354.0 4221.2 2266.5 1960.2 \N 499.0 \N \N 97.2 MCOA_13C_2 \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N MCOA_13C_3 \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N NAD 64991.3 65743.1 79406.8 77890.8 105968.7 67169.2 58471.6 41856.6 45343.9 56456.2 36516.5 43255.8 48181.6 69381.7 86713.4 53839.6 33525.0 37459.1 25083.0 49792.2 21451.2 72039.2 58757.8 61641.1 34650.1 60908.5 37417.9 NAD_13C_1 \N \N \N \N 650.7 \N \N \N \N 789.1 357.9 \N \N 82.7 21.9 \N \N \N 152.0 \N \N 486.1 \N \N \N \N \N NAD_13C_2 \N \N \N 726.2 \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N NAD_13C_3 \N 60.1 \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N 95.3 \N \N \N 96.5 \N \N NAD_13C_4 371.2 50.2 54.0 55.9 89.3 54.4 42.1 32.3 31.6 51.1 32.0 33.1 35.8 548.8 72.6 42.9 25.3 28.3 22.4 38.4 17.1 61.8 41.5 50.6 27.6 50.0 30.5 NAD_13C_5 6989.7 6720.7 8689.9 11376.7 15687.8 10329.1 14439.4 10284.3 11491.1 4832.3 3345.3 4622.9 7208.9 7915.4 13833.6 16449.4 10530.9 11318.3 1034.3 4376.4 1596.2 11267.2 8330.4 10304.8 10245.1 17374.1 8233.5 NADH 6257.7 9331.8 7616.2 19300.3 13221.1 10743.5 23434.5 12541.7 19908.3 8448.2 4744.5 6070.9 5874.0 10892.8 13143.1 16288.6 22772.3 25429.0 8496.3 12739.8 4804.5 19367.4 16192.7 20081.6 12460.5 44020.5 13210.0 NADH_13C_1 \N 737.5 \N 798.3 \N \N 399.8 \N 768.9 139.8 \N \N \N \N \N \N 529.1 \N \N 440.1 \N \N 307.4 \N \N 83.9 \N NADH_13C_2 \N \N \N \N \N \N \N \N \N \N \N \N 2410.9 2439.0 3391.7 \N 114.4 515.3 \N 1228.5 \N \N \N 1027.5 \N 463.4 \N NADH_13C_3 \N 42.7 \N \N 59.1 47.9 105.5 56.2 90.1 \N \N \N \N \N \N 72.0 \N \N 37.2 \N \N 86.5 73.0 \N 55.3 \N 59.1 NADH_13C_4 \N 11.5 \N 20.0 11.0 8.6 22.7 11.0 21.1 \N \N \N \N 2.0 \N 10.8 20.4 16.7 4.3 \N \N 16.2 15.8 13.1 8.9 35.4 11.5 NADH_13C_5 \N 739.6 \N 2598.3 1589.1 720.0 5175.8 2543.6 5457.4 \N \N \N \N 1171.4 \N 4404.3 7029.6 7364.3 513.8 \N \N 2171.0 1618.8 1851.6 3304.9 11552.6 2935.6 PEP \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N PEP_13C_1 \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N PEP_13C_2 \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N PEP_13C_3 \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N R5P/X5P 2142.7 1906.8 1921.5 4123.5 2228.6 2186.0 3738.2 2763.4 4006.1 643.3 762.2 611.9 1643.5 3484.7 4945.1 2611.8 1203.4 2891.3 526.0 1607.8 877.8 1547.8 2338.7 1551.5 2441.7 2109.7 1890.4 R5P/X5P_13C_1 \N 250.2 \N \N 434.5 517.4 98.6 1170.6 40.2 405.6 305.4 176.7 283.2 135.6 60.6 675.6 555.6 \N \N 412.6 \N 212.0 68.7 814.2 301.8 1080.3 610.9 R5P/X5P_13C_2 \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N R5P/X5P_13C_3 376.3 \N 1.1 2.4 \N \N \N \N \N \N \N \N \N \N \N \N \N 1.7 0.3 \N 569.3 \N \N \N \N \N \N R5P/X5P_13C_4 24002.8 0.4 4511.5 0.6 8376.9 0.6 7688.0 4206.1 0.7 12273.7 6474.9 2359.7 0.4 0.6 8276.1 13385.8 7639.0 13924.2 0.1 0.4 2979.0 0.3 0.4 0.6 0.5 0.8 0.6 R5P/X5P_13C_5 19851.9 17966.3 15869.3 22600.5 25249.9 16163.5 98449.1 67443.6 62123.6 9076.0 6235.4 8439.2 11934.0 20175.2 21503.0 62563.9 36543.3 40951.2 7018.7 12668.2 7371.9 14542.9 12912.5 15203.4 27639.3 49457.4 26251.3 S7P 4222.0 6301.5 5252.5 9634.5 10438.1 6160.2 18302.8 14448.1 15606.4 6203.7 1093.8 2199.8 1079.7 3663.4 7303.8 15714.3 13157.5 15065.3 1756.0 4294.7 1176.6 7381.6 4225.7 3768.6 12919.9 25775.0 12875.0 S7P_13C_1 \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N S7P_13C_2 \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N S7P_13C_3 \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N S7P_13C_4 \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N S7P_13C_5 5.9 7.2 5.2 9.2 8.7 7.7 7.0 5.6 5.5 7.4 5.9 6.1 6.1 8.9 10.7 7.0 4.7 8.1 5.9 8.7 7.0 8.2 6.2 7.4 6.2 8.0 6.1 S7P_13C_6 1.7 2.1 1.5 2.7 2.5 2.2 2.0 1.6 1.6 2.1 1.7 1.7 1.8 2.5 3.1 2.0 1.3 2.3 1.7 2.5 2.0 2.3 1.8 2.1 1.8 2.3 1.8 S7P_13C_7 6185.9 7230.4 6936.3 9483.3 7290.7 6445.3 17428.2 11161.9 12882.9 4449.3 2619.8 3217.8 4476.6 8267.1 8157.6 12758.5 10783.5 13663.8 2742.3 4405.8 2388.6 6849.7 4394.9 5672.5 8865.6 17109.0 9373.9 SUC 40201.6 50001.7 34407.0 61492.4 68195.8 61773.3 3712.3 41641.2 37640.1 45715.9 39990.4 35297.3 49662.7 68728.8 73353.2 46849.8 43634.1 52597.1 42106.1 50089.1 42018.3 67280.7 52089.8 52258.8 39621.5 45101.7 47156.1 SUC_13C_1 297.6 140.9 \N 4046.5 3159.3 4134.1 6772.9 3174.7 4188.4 \N 694.4 9.6 1901.1 5245.3 3611.0 4237.5 3563.0 3849.3 602.8 511.6 \N 3362.8 4013.4 4938.3 4625.1 9078.2 3468.5 SUC_13C_2 \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N SUC_13C_3 \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N SUC_13C_4 \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N GDP 9651.1 8008.4 14290.7 8568.6 19748.8 8017.2 12251.1 8682.1 7606.6 17096.6 8215.3 6494.4 8039.1 8549.0 11908.5 13023.1 7999.0 9583.2 4145.7 6192.9 4715.4 9025.5 7064.8 7270.6 4719.8 7927.0 4853.0 GDP_13C_1 \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N GDP_13C_2 \N 190.9 67.5 287.3 \N 118.9 65.0 73.3 122.1 \N \N \N \N 155.4 49.9 \N 46.9 191.3 \N 196.9 95.9 145.0 324.8 61.0 152.4 60.4 \N GDP_13C_3 301.8 \N 270.9 373.6 315.7 273.4 339.5 223.9 444.3 15.8 11.5 10.6 429.3 336.3 708.5 243.3 219.3 711.6 235.6 300.3 192.9 604.2 255.4 182.8 210.0 252.6 240.1 GDP_13C_4 288.1 \N \N \N 265.4 \N \N \N \N \N 2.1 1.4 \N \N \N 218.3 153.5 \N \N \N \N \N \N \N \N \N \N GDP_13C_5 237.6 3422.7 1371.4 4154.7 6699.0 4228.2 3619.8 2743.7 3024.4 1643.8 217.5 995.5 2699.8 396.6 5121.4 4601.0 2816.6 3291.3 873.3 286.2 204.1 273.3 3102.3 3201.5 1534.3 3407.0 180.6 GMP 3875.1 5638.0 6718.0 3831.6 9992.1 5969.4 3312.2 4895.4 1534.8 7740.5 1719.6 1099.7 3489.8 3295.0 10884.6 4417.3 1728.6 2616.0 487.6 2448.4 738.8 4776.1 2506.3 3068.8 1707.6 1458.4 3103.6 GMP_13C_1 \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N GMP_13C_2 \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N GMP_13C_3 \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N GMP_13C_4 \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N GMP_13C_5 \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N GTP 77321.5 71375.7 78311.5 80869.1 101701.3 79001.4 60405.4 62158.0 44983.5 66387.3 35884.1 40102.1 52244.2 82028.0 91281.8 42727.5 38750.7 46776.3 24320.6 47171.2 25399.2 82181.3 55395.9 73448.6 32981.6 62960.2 43578.6 GTP_13C_1 308.7 \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N 32.1 \N \N GTP_13C_2 \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N 155.5 \N \N \N GTP_13C_3 52.1 598.2 492.8 1204.0 319.6 1414.9 671.5 160.1 225.5 289.4 200.8 168.3 153.3 694.1 326.7 243.5 540.3 259.6 239.6 619.5 159.4 839.3 192.2 719.7 434.9 293.1 91.3 GTP_13C_4 1079.1 388.9 777.3 281.0 1942.5 2375.8 241.5 635.1 245.3 320.4 161.4 419.6 320.4 2003.3 2004.8 229.0 136.6 222.7 220.9 1134.1 206.6 2016.9 1944.8 1741.2 \N 286.5 357.2 GTP_13C_5 30420.7 29105.5 27603.0 51231.6 56994.4 47916.2 35067.8 30196.3 24761.5 21955.0 15088.1 15933.1 27471.3 42577.3 55703.7 21177.5 15508.9 25472.6 9396.1 18800.7 9481.1 44064.7 28013.4 38477.6 19175.9 38196.4 21809.1 CDP 4672.8 14257.5 4140.1 8585.8 3871.3 5878.6 5063.8 5400.0 3540.7 7320.2 3828.7 3697.5 3402.7 4788.9 11733.7 6547.3 6248.5 3019.6 3596.1 2807.6 1854.9 3162.6 4601.2 2915.1 1937.3 4851.8 3363.5 CMP 3006.2 2587.6 2260.4 559.3 1082.0 1501.4 1189.6 214.7 1086.1 932.3 721.6 1308.5 997.4 958.1 1215.6 742.1 559.9 1137.3 2674.3 1694.9 544.6 754.1 1383.7 1870.7 1302.3 1263.5 1219.2 CTP 83597.1 85070.1 79907.7 92639.5 84313.4 59495.0 62945.7 52455.5 73529.1 69744.5 76993.7 68663.1 62240.5 78390.5 48998.2 58789.3 49750.5 40658.2 74751.0 63700.2 38330.7 85367.5 77607.1 102896.0 47379.6 66385.2 66697.6 TDP \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N TMP 347.3 207.6 304.7 619.2 259.5 760.7 470.9 417.0 410.3 265.9 226.2 278.7 710.6 211.7 214.3 218.1 205.8 433.0 225.3 224.0 310.2 235.6 296.5 262.1 243.6 206.2 TTP 15993.0 13585.3 8303.7 15041.1 15589.0 10244.6 9277.8 7908.7 13188.1 12512.8 13822.7 11103.9 11444.8 14518.2 7177.9 8699.9 9031.8 2059.9 11879.0 10808.3 7310.6 14453.8 13288.5 17710.5 6097.9 10100.9 9800.8 UDP 12996.1 12426.5 13682.5 23594.2 13395.6 17410.5 17785.2 13792.2 13191.1 17899.7 11890.7 16212.6 11128.8 16888.9 29656.8 21389.2 19768.3 11578.1 15962.8 9881.7 8498.9 11358.4 13050.0 10758.0 9058.3 15304.6 12419.9 UMP 1661.7 1891.0 2239.6 2337.4 2232.3 2110.3 1636.3 1840.7 598.3 1672.9 1905.6 1946.6 854.0 2618.0 3408.8 2178.1 2251.3 1438.9 2010.1 1378.8 1275.9 2471.5 2152.6 2462.0 1000.3 3688.4 3406.6 UTP 257911.2 213921.5 211133.6 230072.4 205274.6 157041.6 169235.2 126238.6 191264.7 169989.1 188267.4 163794.1 144870.8 185536.9 115843.9 143126.4 123609.7 96031.6 198220.6 163903.1 105567.9 187066.4 181291.8 245373.0 107364.4 162404.7 153792.0 metabolite_name Full name PubChem CID 2PG/3PG 2 or 3-phosphoglycerate 724 2PG/3PG_13C_1 2 or 3-phosphoglycerate 724 2PG/3PG_13C_2 2 or 3-phosphoglycerate 724 2PG/3PG_13C_3 2 or 3-phosphoglycerate 724 6PG 6-Phosphogluconate 91493 6PG_13C_1 6-Phosphogluconate 91493 6PG_13C_2 6-Phosphogluconate 91493 6PG_13C_3 6-Phosphogluconate 91493 6PG_13C_4 6-Phosphogluconate 91493 6PG_13C_5 6-Phosphogluconate 91493 6PG_13C_6 6-Phosphogluconate 91493 ACOA Acetyl-CoA 444493 ACOA_13C_1 Acetyl-CoA 444493 ACOA_13C_2 Acetyl-CoA 444493 ADP Adenosine diphosphate 6022 ADP_13C_1 Adenosine diphosphate 6022 ADP_13C_2 Adenosine diphosphate 6022 ADP_13C_3 Adenosine diphosphate 6022 ADP_13C_4 Adenosine diphosphate 6022 ADP_13C_5 Adenosine diphosphate 6022 AMP Adenosine monophosphate 6083 AMP_13C_1 Adenosine monophosphate 6083 AMP_13C_2 Adenosine monophosphate 6083 AMP_13C_3 Adenosine monophosphate 6083 AMP_13C_4 Adenosine monophosphate 6083 AMP_13C_5 Adenosine monophosphate 6083 ASP Aspartate 424 ASP_13C_1 Aspartate 424 ASP_13C_2 Aspartate 424 ASP_13C_3 Aspartate 424 ASP_13C_4 Aspartate 424 ATP Adenosine triphosphate 5957 ATP_13C_1 Adenosine triphosphate 5957 ATP_13C_2 Adenosine triphosphate 5957 ATP_13C_3 Adenosine triphosphate 5957 ATP_13C_4 Adenosine triphosphate 5957 ATP_13C_5 Adenosine triphosphate 5957 CIT/ICIT Citrate or Isocitrate 311 CIT/ICIT_13C_1 Citrate or Isocitrate 311 CIT/ICIT_13C_2 Citrate or Isocitrate 311 CIT/ICIT_13C_3 Citrate or Isocitrate 311 CIT/ICIT_13C_4 Citrate or Isocitrate 311 CIT/ICIT_13C_5 Citrate or Isocitrate 311 CIT/ICIT_13C_6 Citrate or Isocitrate 311 E4P Erythrose 4-phosphate 122357 E4P_13C_1 Erythrose 4-phosphate 122357 E4P_13C_2 Erythrose 4-phosphate 122357 E4P_13C_3 Erythrose 4-phosphate 122357 E4P_13C_4 Erythrose 4-phosphate 122357 FBP Fructose 1,6-bisphosphate 21125049 FBP_13C_1 Fructose 1,6-bisphosphate 21125049 FBP_13C_2 Fructose 1,6-bisphosphate 21125049 FBP_13C_3 Fructose 1,6-bisphosphate 21125049 FBP_13C_4 Fructose 1,6-bisphosphate 21125049 FBP_13C_5 Fructose 1,6-bisphosphate 21125049 FBP_13C_6 Fructose 1,6-bisphosphate 21125049 G3P 3-phosphoglyceraldehyde 729 G3P_13C_1 3-phosphoglyceraldehyde 729 G3P_13C_2 3-phosphoglyceraldehyde 729 G3P_13C3 3-phosphoglyceraldehyde 729 G6P/F6P Glucose 6-phosphate or fructose-6-phosphate 5958 G6P/F6P_13C_1 Glucose 6-phosphate or fructose-6-phosphate 5958 G6P/F6P_13C_2 Glucose 6-phosphate or fructose-6-phosphate 5958 G6P/F6P_13C_3 Glucose 6-phosphate or fructose-6-phosphate 5958 G6P/F6P_13C_4 Glucose 6-phosphate or fructose-6-phosphate 5958 G6P/F6P_13C_5 Glucose 6-phosphate or fructose-6-phosphate 5958 G6P/F6P_13C_6 Glucose 6-phosphate or fructose-6-phosphate 5958 Gl-OH3P 3-Glycerophosphate 754 Gl-OH3P_13C_1 3-Glycerophosphate 754 Gl-OH3P_13C_2 3-Glycerophosphate 754 Gl-OH3P_13C_3 3-Glycerophosphate 754 GLU Glutamate 611 GLU_13C_1 Glutamate 611 GLU_13C_2 Glutamate 611 GLU_13C_3 Glutamate 611 GLU_13C_4 Glutamate 611 GLU_13C_5 Glutamate 611 LAC Lactate 612 LAC_13C_1 Lactate 612 LAC_13C_2 Lactate 612 LAC_13C_3 Lactate 612 MAL Malate 525 MAL_13C_1 Malate 525 MAL_13C_2 Malate 525 MAL_13C_3 Malate 525 MAL_13C_4 Malate 525 MCOA Malonyl-CoA 10663 MCOA_13C_1 Malonyl-CoA 10663 MCOA_13C_2 Malonyl-CoA 10663 MCOA_13C_3 Malonyl-CoA 10663 NAD Nicotinamide Adenine Dinucleotide oxidized 15938971 NAD_13C_1 Nicotinamide Adenine Dinucleotide oxidized 15938971 NAD_13C_2 Nicotinamide Adenine Dinucleotide oxidized 15938971 NAD_13C_3 Nicotinamide Adenine Dinucleotide oxidized 15938971 NAD_13C_4 Nicotinamide Adenine Dinucleotide oxidized 15938971 NAD_13C_5 Nicotinamide Adenine Dinucleotide oxidized 15938971 NADH Nicotinamide Adenine Dinucleotide reduced 439153 NADH_13C_1 Nicotinamide Adenine Dinucleotide reduced 439153 NADH_13C_2 Nicotinamide Adenine Dinucleotide reduced 439153 NADH_13C_3 Nicotinamide Adenine Dinucleotide reduced 439153 NADH_13C_4 Nicotinamide Adenine Dinucleotide reduced 439153 NADH_13C_5 Nicotinamide Adenine Dinucleotide reduced 439153 PEP Phosphoenolpyruvate 1005 PEP_13C_1 Phosphoenolpyruvate 1005 PEP_13C_2 Phosphoenolpyruvate 1005 PEP_13C_3 Phosphoenolpyruvate 1005 R5P/X5P Ribose-5-phosphate or xylulose 5-phosphate 77982 R5P/X5P_13C_1 Ribose-5-phosphate or xylulose 5-phosphate 77982 R5P/X5P_13C_2 Ribose-5-phosphate or xylulose 5-phosphate 77982 R5P/X5P_13C_3 Ribose-5-phosphate or xylulose 5-phosphate 77982 R5P/X5P_13C_4 Ribose-5-phosphate or xylulose 5-phosphate 77982 R5P/X5P_13C_5 Ribose-5-phosphate or xylulose 5-phosphate 77982 S7P Sedoheptulose 7-phosphate 165007 S7P_13C_1 Sedoheptulose 7-phosphate 165007 S7P_13C_2 Sedoheptulose 7-phosphate 165007 S7P_13C_3 Sedoheptulose 7-phosphate 165007 S7P_13C_4 Sedoheptulose 7-phosphate 165007 S7P_13C_5 Sedoheptulose 7-phosphate 165007 S7P_13C_6 Sedoheptulose 7-phosphate 165007 S7P_13C_7 Sedoheptulose 7-phosphate 165007 SUC Sucrose 5988 SUC_13C_1 Sucrose 5988 SUC_13C_2 Sucrose 5988 SUC_13C_3 Sucrose 5988 SUC_13C_4 Sucrose 5988 GDP GDP 8977 GDP_13C_1 GDP 8977 GDP_13C_2 GDP 8977 GDP_13C_3 GDP 8977 GDP_13C_4 GDP 8977 GDP_13C_5 GDP 8977 GMP GMP 6804 GMP_13C_1 GMP 6804 GMP_13C_2 GMP 6804 GMP_13C_3 GMP 6804 GMP_13C_4 GMP 6804 GMP_13C_5 GMP 6804 GTP GTP 6830 GTP_13C_1 GTP 6830 GTP_13C_2 GTP 6830 GTP_13C_3 GTP 6830 GTP_13C_4 GTP 6830 GTP_13C_5 GTP 6830 CDP CDP 6132 CMP CMP 6131 CTP CTP 6176 TDP TDP 164628 TMP TMP 9700 TTP TTP 64968 UDP UDP 6031 UMP UMP 6030 UTP UTP 6133