Metabolite_name RefMet_name PCC 11801_Method 1_Rep1 PCC 11801_Method 1_Rep2 PCC 11801_Method 1_Rep3 PCC 11801_Method 1_Rep4 PCC 11801_Method 1_Rep5 PCC 11801_Method 1_Rep6 PCC 7002_Method 1_Rep1 PCC 7002_Method 1_Rep2 PCC 7002_Method 1_Rep3 PCC 7002_Method 1_Rep4 PCC 7942_Method 1_Rep1 PCC 7942_Method 1_Rep2 PCC 7942_Method 1_Rep3 PCC 11801_Method 2A_Rep1 PCC 11801_Method 2A_Rep2 PCC 11801_Method 2A_Rep3 PCC 11801_Method 2A_Rep4 PCC 11801_Method 2A_Rep5 PCC 11801_Method 2A_Rep6 PCC 7002_Method 2A_Rep1 PCC 7002_Method 2A_Rep2 PCC 7002_Method 2A_Rep3 PCC 7942_Method 2A_Rep1 PCC 7942_Method 2A_Rep2 PCC 7942_Method 2A_Rep3 PCC 7942_Method 2A_Rep4 PCC 11801_Method 2B-0.2M NH4OH_Rep1 PCC 11801_Method 2B-0.2M NH4OH_Rep2 PCC 11801_Method 2B-0.2M NH4OH_Rep3 PCC 11801_Method 2B-0.2M NH4OH_Rep4 PCC 11801_Method 2B-0.2M NH4OH_Rep5 PCC 11801_Method 2B-0.2M NH4OH_Rep6 PCC 7002_Method 2B_0.4M NH4OH_Rep1 PCC 7002_Method 2B_0.4M NH4OH_Rep2 PCC 7002_Method 2B_0.4M NH4OH_Rep3 PCC 7002_Method 2B_0.4M NH4OH_Rep4 PCC 7942_Method 2B_0.4M NH4OH_Rep1 PCC 7942_Method 2B_0.4M NH4OH_Rep2 PCC 7942_Method 2B_0.4M NH4OH_Rep3 PCC 7942_Method 2B_0.4M NH4OH_Rep4 Factors - Extraction Method Used:Method 1 Extraction Method Used:Method 1 Extraction Method Used:Method 1 Extraction Method Used:Method 1 Extraction Method Used:Method 1 Extraction Method Used:Method 1 Extraction Method Used:Method 1 Extraction Method Used:Method 1 Extraction Method Used:Method 1 Extraction Method Used:Method 1 Extraction Method Used:Method 1 Extraction Method Used:Method 1 Extraction Method Used:Method 1 Extraction Method Used:Method 2A Extraction Method Used:Method 2A Extraction Method Used:Method 2A Extraction Method Used:Method 2A Extraction Method Used:Method 2A Extraction Method Used:Method 2A Extraction Method Used:Method 2A Extraction Method Used:Method 2A Extraction Method Used:Method 2A Extraction Method Used:Method 2A Extraction Method Used:Method 2A Extraction Method Used:Method 2A Extraction Method Used:Method 2A Extraction Method Used:Method 2B-0.2M NH4OH Extraction Method Used:Method 2B-0.2M NH4OH Extraction Method Used:Method 2B-0.2M NH4OH Extraction Method Used:Method 2B-0.2M NH4OH Extraction Method Used:Method 2B-0.2M NH4OH Extraction Method Used:Method 2B-0.2M NH4OH Extraction Method Used:Method 2B-0.4M NH4OH Extraction Method Used:Method 2B-0.4M NH4OH Extraction Method Used:Method 2B-0.4M NH4OH Extraction Method Used:Method 2B-0.4M NH4OH Extraction Method Used:Method 2B-0.4M NH4OH Extraction Method Used:Method 2B-0.4M NH4OH Extraction Method Used:Method 2B-0.4M NH4OH Extraction Method Used:Method 2B-0.4M NH4OH 2-Aminooctanoic Acid 2-Aminocaprylic acid 208.9155 173.9599 165.7681 164.4503 170.5531 193.6407 1591.6685 1551.7646 1776.7901 1715.1460 1801.3004 1775.5945 1388.2481 902.9959 881.4905 1137.6182 4250.6546 3514.9093 3543.0336 3298.1129 2-Deoxyglucose-1 Phosphate 2-Deoxy-D-glucose 6-phosphate 832.3240 1774.9939 1773.7162 1755.6467 1442.6661 1457.0683 21.7041 5726.1407 5878.1456 2038.5277 7755.6454 7187.6000 4910.1821 4656.4450 4716.5253 4947.6427 4823.1058 4768.8501 2-isopropylmalate 2-Isopropylmalic acid 976.6568 1954.6308 1855.4243 1785.7267 1073.7424 1125.0534 793.8120 898.2411 896.6863 3919.7854 10260.5234 10351.0295 10866.6944 7822.2225 7703.7974 3927.8369 3178.3971 3046.1098 2663.9726 6352.4547 6503.8489 6247.6673 6385.6981 6329.4554 6398.0766 1838.2289 2723.2486 2282.7742 2923.6014 3PGA 3-Phosphoglyceric acid 959.3375 2404.8578 2063.0433 1919.8444 988.5938 1167.5980 105.3924 303.5201 185.6210 6068.5770 6886.5045 7071.7476 7202.7752 4775.9084 7052.2095 320.2157 371.2104 389.1051 2168.6622 1563.1014 1440.9970 1532.4445 16552.8175 16936.3785 16350.2225 17417.5619 16764.8572 17033.5998 1790.3506 1859.8309 1993.0643 1867.1333 3701.9663 5123.2800 6785.0539 8281.3679 Acetyl-CoA Acetyl-CoA 377.9309 1052.8537 880.6538 843.6042 361.8479 393.3998 1642.6634 1335.3678 485.4115 610.0535 285.9986 827.1403 777.4127 1988.8101 1024.3274 983.0945 227.1294 234.8791 250.2261 268.6062 285.4674 262.8038 282.6561 270.8324 259.1497 Acotinic Acid cis-Aconitic acid 3973.2494 3876.1211 5281.1616 5872.8725 3355.2238 2631.9002 2640.1845 2886.0502 3825.5960 3104.3229 4493.0450 4278.9106 4555.1215 2795.0297 5031.6024 3884.8511 4430.0055 3133.7514 7478.8287 3094.4343 7210.5717 7479.8701 3048.5527 5697.2506 5122.4716 7744.9280 5061.1407 2609.8514 3908.0486 5602.4028 6932.8939 ADP ADP 725.9366 1822.4084 1663.9276 1747.1391 591.3608 595.9129 809.8591 880.9605 1412.8212 1160.5643 121.0012 307.6512 227.6701 1858.2869 5503.4638 5424.5041 6122.5201 4341.4309 4202.6910 1080.4301 1092.0254 1332.2397 3463.7312 2836.1686 2463.0065 2510.4702 15512.0133 15705.9861 15049.0807 15024.8550 15122.7688 14747.9678 4889.9279 5031.3521 4847.0584 5692.9178 3217.5095 4533.0984 5355.9511 6280.5009 ADP-glucose ADP-glucose 355.1746 836.5621 723.0636 728.9379 438.0509 420.2390 1101.0202 4090.7435 3904.3443 5921.1304 3376.3685 3520.2721 1615.2188 1446.7818 1609.1903 1964.0066 1734.6988 1775.5039 1396.2049 4246.2259 4208.4321 4037.8078 4032.5936 4061.6915 3911.1617 1692.9046 2225.6528 1957.9658 1839.8213 819.2534 1305.2048 1190.4337 1504.8825 ADP-Ribose 2 Phosphate ADP-ribose 2'-phosphate 94.4580 447.0062 473.1128 605.4595 353.0156 374.2986 1046.5175 1016.1903 1055.7214 1161.4549 1095.8153 1093.3435 ATP ATP 1512.7117 3640.5616 2844.4262 3188.2614 2197.1205 2129.2387 2178.8548 2446.0072 3110.2410 2795.7697 1360.7963 8228.0135 8194.1508 12115.5726 7581.1618 6950.3650 2734.9892 1788.9199 2195.1922 2141.5632 1361.9431 1233.7231 1409.9498 41344.0844 42015.2414 40816.9231 38272.4313 37356.2413 37417.7530 15723.5567 16151.1661 15339.2014 18250.9343 4124.0770 6008.8204 9917.3469 11119.1829 Cholic Acid Cholic acid 14173.4974 5934.7760 7977.6641 4861.1595 7397.3474 2736.5104 40945.1087 10909.1030 41505.5431 28466.0087 5571.9168 6810.6594 1823.5911 15514.3339 75706.9969 74884.3413 74375.2414 68099.4170 59391.8191 32089.7772 29417.8718 12599.1018 19748.1821 23600.1250 3576.1190 25663.0232 63456.2384 69729.7430 59712.3404 60026.0863 57585.1860 56229.3526 10608.4683 57164.9452 48576.4709 9388.1250 12285.4804 27556.3565 28300.8471 6921.4322 Citrate Citric acid 4572.5155 7795.8282 7483.4085 7608.8721 6106.4825 6733.0424 58083.9111 44167.5938 56280.8893 43577.7243 2199.4261 7612.0083 7258.0289 25736.8699 31383.6506 31259.0603 34692.2352 34404.3022 32205.4855 54650.1188 47817.3996 51093.0734 30402.7184 31368.1850 26641.0767 28554.3655 37067.2821 37138.6571 36152.8340 34499.3780 36964.2052 35375.5464 61117.6263 61615.0418 60344.5789 59025.6796 27022.4997 25156.7386 36502.4785 37254.0779 Dihydrobiopterin 4a-Carbinolamine tetrahydrobiopterin 1010.2553 1039.5401 1000.9352 995.2942 1016.9548 1034.4297 2478.9421 2622.6701 2652.9435 2864.5535 3175.4598 2848.1206 836.6988 732.8837 609.0646 694.9636 3541.4078 3492.3659 3522.3075 3300.4378 3398.0295 3310.8069 1727.0757 1836.0458 1711.2962 1508.5730 Dodecanoic Acid Lauric acid 7060.9603 6842.3955 7375.5646 6870.1801 7055.3275 6904.1892 1464.9132 1216.3147 1552.7392 1360.6283 4179.7695 4390.1475 4612.6833 5343.6812 5267.8698 6740.8543 6412.9757 6663.7350 6865.2811 1769.0913 1576.4426 1861.9581 1165.7515 1051.7497 844.1829 665.4510 4536.0654 1980.8942 1657.2332 1884.8712 2284.7942 1748.7860 2396.5983 2266.6051 2866.1706 G6P Glucose 6-phosphate 715.2464 2235.8736 2214.6116 2489.9573 801.6748 914.9524 1316.6065 4207.4990 4389.4215 4198.0362 5284.4127 3894.8623 4248.1866 4431.1842 5058.7633 2919.2038 3320.9193 4936.2716 3115.0335 3073.7763 4529.5587 3123.4528 1736.0490 3776.5424 2470.1924 4390.0998 GDP-gulose/GDP-galactose/GDP-Mannose GDP-glucose 572.3335 1461.5535 1529.6599 1275.9836 1065.9018 987.1950 1223.6444 1173.9471 1127.3394 1152.4409 1119.1495 1136.2067 Glu-Leu Glu-Leu 417.1481 1066.6028 1001.8592 980.5308 766.8778 796.1372 6033.3092 7173.6269 6606.0873 1839.5765 4782.8434 4785.3651 6348.9372 4770.7043 4547.5545 10889.3469 9246.3130 8993.5623 8284.0117 4407.5883 4342.5496 4227.2703 4391.0543 4263.8307 4566.7761 4577.0958 6073.5983 5279.1621 6679.9646 Glutamate Glutamic acid 7772.6607 8886.6645 8650.4606 8393.6557 7905.4443 8569.6907 1841.0787 1768.5991 1899.9246 1785.2176 2283.5649 2602.9310 2583.6524 7352.6305 6716.5347 5891.3158 6947.9782 5970.4355 6521.3281 2615.2457 1984.8242 1526.1567 1989.7402 1220.2165 1326.8634 1015.7544 1256.0562 1178.2826 932.3367 1163.9653 1436.4635 1504.3912 564.2993 491.6767 490.4675 856.9978 992.2812 1370.9715 1144.9850 1312.5851 IMP IMP 487.6419 1473.4139 1478.7306 1775.1567 1148.9135 1163.5388 1262.0831 1287.3580 1271.4571 1211.2337 1168.3593 1235.8123 Lactate Lactic acid 899.8988 1375.1727 792.0333 792.8255 1258.4760 1301.5295 1852.9359 1402.4217 1648.5385 892.8924 858.8369 865.0828 893.6553 919.8789 1005.3058 1791.6433 1888.1907 1675.5431 1713.6814 1563.2564 1592.7803 L-Cystine Cystine 478.0588 757.2786 795.9883 1609.5304 1070.5262 1103.6486 1495.3296 1590.5355 1773.7406 1296.3847 1398.4584 1506.3696 Linoleic Acid Linoleic acid 16982.7652 18495.6331 8791.2920 8221.7836 6833.2986 7039.3060 2687.2001 2604.7788 2510.0237 906.0127 2944.7500 3154.4167 2372.3874 1581.3847 1535.9373 705.8144 572.5587 510.2310 508.4653 3454.7084 3405.4553 3487.4561 4688.4820 4589.0021 4453.3885 750.0134 902.0949 1364.0209 1361.2865 Lithocholic Acid Lithocholic acid 11068.0519 6336.0079 2831.4077 3962.6068 2219.1664 2712.9413 16442.8748 13054.2386 13559.8449 3704.3464 16267.2168 47876.0011 18980.6897 50236.6877 45338.4125 42754.0277 5530.2801 3059.9653 3734.6062 16347.0117 10406.7253 6368.5730 19127.0623 7531.3356 39323.1226 62487.1378 38487.4281 16712.8922 37213.6190 8227.8421 16039.5589 14821.8949 4655.5658 14934.1529 10752.0159 7140.9646 10753.3396 Malate Malic acid 90.3848 202.1407 323.1465 337.4176 223.5786 232.9166 13810.0856 13270.3789 13308.8749 14280.9022 300.3222 1338.5470 1399.5292 1789.7308 2175.8477 2381.9141 15786.2019 13366.3427 13057.5638 1412.2336 1445.9477 1331.5346 1353.2254 1372.5855 1341.7374 12590.7215 11738.5977 13260.6195 12619.8770 Myristic Acid Myristic acid 18940.8000 18211.9287 17051.5884 17253.3669 15762.0101 16909.1089 3956.5983 3650.2004 4480.2790 3930.4141 4655.2171 5847.6661 5435.5318 1142.2542 4678.6721 4417.8409 5799.1880 3493.0280 3414.3372 7868.0178 4650.2278 5509.9062 2616.6209 1844.4971 1733.5117 1513.2325 48209.2802 46265.5771 47620.1809 52115.2010 51820.9187 51633.3439 21883.1353 20857.7104 23334.2696 22217.0010 36590.3581 51595.1368 41257.8187 43466.1786 N-Acetyl L-Glutamic acid N-Acetyl-mannosamine 437.0440 1135.3679 1174.1657 1686.9639 1206.0085 1231.7085 945.3156 899.7669 870.8287 915.8359 969.1187 928.6800 Pentadecanoic Acid Pentadecylic acid 4688.7537 5070.7115 3177.8242 3225.6821 3073.3040 3201.4230 1171.2162 1314.2403 1356.8390 622.4318 1374.6069 1325.8749 1007.2709 1012.0517 1006.9358 836.6988 732.8837 609.0646 694.9636 2542.5125 2502.6765 2565.2328 3646.4357 3697.8414 3674.7589 1727.0757 1836.0458 1711.2962 1508.5730 PEP Phosphoenolpyruvic acid 365.5073 838.9039 797.9243 1383.4655 845.6937 870.3876 1191.6526 1147.8946 1120.6395 1249.9566 1278.6251 1215.4118 Proglutamic Acid Pyroglutamic acid 534.5225 1093.8752 373.2025 348.0604 971.2025 1008.7229 117.5174 1295.8125 1291.3516 438.8461 653.4760 675.0187 713.3800 1179.1403 843.8781 681.9004 813.3290 715.1182 RuBP Ribulose 1,5-bisphosphate 28.9924 63.6290 68.9605 260.6081 167.5218 148.6217 64.6093 63.6233 67.9472 71.6458 64.7411 43.4472 65.4475 9973.4218 10066.7365 9717.6887 9504.1200 9556.3769 9509.4253 3562.6049 3130.8348 2927.8584 5057.4582 1786.6268 2456.3794 4486.5908 4957.4037 S7P Sedoheptulose 7-phosphate 544.0773 1349.2423 597.5826 816.5669 369.8569 566.2630 1044.0719 3595.1775 3710.6531 2826.5056 2976.6561 3141.5085 3818.8963 2587.2537 2837.2849 2589.7679 3130.7973 3098.0676 2902.6834 2934.5116 2876.9335 2883.6263 1895.9874 2837.4391 2838.0611 3478.3024 Sucrose Sucrose 1606.0460 2024.6665 1552.7058 1510.2944 1680.7277 1653.5730 5985.6794 5789.1071 6461.1559 6386.1592 1698.4561 1711.1039 1497.8605 1070.0458 939.3499 912.6191 1103.6547 1088.2143 1356.5538 5405.9634 4996.4537 4939.0698 3656.1898 2688.6655 3299.7586 2249.4843 990.6663 888.2997 876.9164 963.7340 931.5472 1012.1694 2530.7810 1760.7629 1697.7384 4285.9617 1849.1545 2071.1630 2177.9257 2406.9703 Trp-Glu Trp-Glu 1363.5491 1529.9263 1444.3795 484.4258 1842.2660 1854.1701 2641.9342 1574.3895 1571.0366 17250.3994 15399.0744 14476.8327 12968.1484 1046.2019 1047.8323 980.8998 1074.5291 1112.3220 993.3161 6769.5472 9271.6371 8346.7297 9402.4816 UDP-glucose UDP-glucose 3402.2102 8060.4163 6973.8237 6859.6166 3982.4482 4089.5319 1421.2341 1463.2676 1907.3012 1990.6670 4442.2649 5017.5144 5744.4576 3746.4459 11735.5632 11601.3915 22155.0630 14608.4198 14332.4330 972.7341 1057.5062 1194.8355 16716.5487 13699.0653 13465.0618 12339.4759 15174.0202 15237.4880 14737.1138 17212.4400 16743.6432 16908.8544 6924.9596 10459.5623 8371.0167 10159.4363 UDP-N-Acetyl-D-galactosamine UDP-N-acetylgalactosamine 1711.8930 3971.1277 4301.1898 4128.3872 2788.1381 2949.8554 1258.3325 1266.7963 1363.3744 3153.6419 9519.4292 9600.6180 12398.1916 8403.4917 8381.4824 6924.3633 5551.2932 5393.8031 5202.6805 8076.0524 8189.1834 8000.7727 8942.3543 8648.3362 8858.1832 2955.0630 4247.3153 3482.9108 4183.1080 UDP-N-acetylmuramoyl-L-alanine UDP-N-acetylmuramoyl-L-alanine 2547.3353 2864.8475 3124.8234 2960.8645 2057.9475 5752.8406 5664.7769 8403.3440 5759.8616 5691.5791 2615.6955 2262.2969 2707.0251 3874.4696 3401.5137 3126.0939 2824.5846 4966.4457 4655.5514 4611.8110 5015.0871 4861.9185 4838.4201 2961.3845 3048.1022 3053.1638 2852.6537 1539.0403 2266.9285 2234.7737 2485.8267 UDP-Xylose UDP-D-Xylose 642.3448 1633.3715 1310.8844 1374.6068 738.2106 823.7611 1120.8268 3252.3263 3132.7895 5124.0640 3803.7726 3647.3818 4162.4699 4022.5736 4040.5461 4463.6010 4265.5177 4360.0561 UMP UMP 965.0234 2065.6600 2324.9125 2278.2683 1408.0165 1465.5384 1875.8846 2171.3813 2668.7583 2690.1756 502.1736 770.8997 908.9794 3835.0570 11488.6478 11579.0325 19175.4554 11671.4548 11915.3910 2910.5902 2458.9736 2693.3606 9313.9063 7711.1707 7188.3578 6293.5638 11228.9264 11559.6062 10499.2486 12507.7022 12181.5848 12682.6097 1567.5052 1445.4417 1425.0952 1897.7345 3632.3857 5468.5692 5624.8462 7093.1444