metabolite_name 01 Blank 02 DMEM/F12 no adds 03 BT-474 Xeno D3 Acetate 6 hrs Plasma Fasnall 1081 04 BT-474 Xeno D3 Acetate 6 hrs Plasma DMSO 1089 05 BT-474 Xeno D3 Acetate 6 hrs Plasma Fasnall 1082 06 BT-474 Xeno D3 Acetate 6 hrs Plasma DMSO 1090 07 BT-474 Xeno D3 Acetate 6 hrs Plasma Fasnall 1083 08 BT-474 Xeno D3 Acetate 6 hrs Plasma DMSO 1091 09 BT-474 Xeno D3 Acetate 6 hrs Plasma Fasnall 1084 10 BT-474 Xeno D3 Acetate 6 hrs Plasma DMSO 1092 11 BT-474 Xeno D3 Acetate 6 hrs Plasma Fasnall 1085 12 BT-474 Xeno D3 Acetate 6 hrs Plasma DMSO 1093 13 BT-474 Xeno D3 Acetate 6 hrs Plasma Fasnall 1086 14 BT-474 Xeno D3 Acetate 6 hrs Plasma Fasnall 1087 15 Plasma Fasnall Std 0.2 ng/ml 16 Plasma Fasnall Std 1 ng/ml 17 Plasma Fasnall Std 2 ng/ml 18 Plasma Fasnall Std 10 ng/ml 19 Plasma Fasnall Std 20 ng/ml 20 Plasma Fasnall Std 100 ng/ml 21 Plasma Fasnall Std 250 ng/ml 22 Plasma Fasnall Std 500 ng/ml 23 Plasma Fasnall Std 1 ug/ml 24 Plasma Fasnall Std 2.5 ug/ml 25 Plasma Fasnall Std 5 ug/ml 26 Plasma Fasnall Std 10 ug/ml 27 Plasma Fasnall Std 25 ug/ml 28 Plasma Fasnall Std 50 ug/ml 29 Blank 30 Plasma Fasnall Std 0.2 ng/ml 31 Plasma Fasnall Std 1 ng/ml 32 Plasma Fasnall Std 2 ng/ml 33 Plasma Fasnall Std 10 ng/ml 34 Plasma Fasnall Std 20 ng/ml 35 Plasma Fasnall Std 100 ng/ml 36 Plasma Fasnall Std 250 ng/ml 37 Plasma Fasnall Std 500 ng/ml 38 Plasma Fasnall Std 1 ug/ml 39 Plasma Fasnall Std 2.5 ug/ml 40 Plasma Fasnall Std 5 ug/ml 41 Plasma Fasnall Std 10 ug/ml 42 Plasma Fasnall Std 25 ug/ml 43 Plasma Fasnall Std 50 ug/ml 44 Blank 45 Fasnall PK 1908 6 hrs 46 Fasnall PK 1907 6 hrs 47 Fasnall PK 1906 6 hrs 48 Fasnall PK 1905 4 hrs 49 Fasnall PK 1904 4 hrs 50 Fasnall PK 1903 4 hrs 51 Fasnall PK 1902 3 hrs 52 Fasnall PK 1901 3 hrs 53 Fasnall PK 1900 3 hrs 54 Fasnall PK 1899 2 hrs 55 Fasnall PK 1898 2 hrs 56 Fasnall PK 1897 2 hrs 57 Fasnall PK 1896 1 hr 58 Fasnall PK 1895 1 hr 59 Fasnall PK 1894 1 hr 60 Fasnall PK 1892 15min 61 Fasnall PK 1891 15min 62 Fasnall PK 1892 15min 63 Fasnall PK 1891 15min 64 Blank 65 DMEM/F12 no adds 66 Blank Formic PAR 1183878.767 6112861.096 1468978.729 3207783.752 885386.4936 5499614.697 2164743.152 1373905.167 3391474.608 2060501.037 4539023.576 4286545.925 4730654.747 2666782.903 1765228.698 1646813.344 1793456.757 1182290.048 4762962.499 2755911.718 904632.9055 6833561.116 1868968.958 5984883.944 4995943.826 2193384.482 1694865.428 2232739.581 1647445.097 1807471.735 2135805.028 2200961.096 3955470.196 1565223.435 6283632.828 200200.991 4031344.019 3555849.396 2390974.88 1474323.584 840641.397 4514382.684 1080190.264 1796598.422 2142203.895 2291168.904 6539396.972 3716085.448 3257624.119 2271605.173 2266507.297 4732674.301 3007658.153 2149746.372 2081103.154 5054072.55 2346550.289 1854435.092 5526299.739 1973859.044 5702362.394 5451946 5265295.369 1407991.121 9179493.669 1791414.207 Acetic PAR 768690.7122 2033953.935 23783345.92 967237.1132 1627446.131 1373335.659 1506768.312 1180362.896 968700.472 1074282.455 2131929.443 876367.6494 2194141.53 1016596.454 569940.3968 864965.477 1300975.92 1743822.904 687792.7673 1853903.99 1260957.254 1758746.332 1836733.553 1574516.948 1975021.117 2063388.033 2022292.448 1751873.568 93627.3414 879319.3603 586227.0978 805926.3173 1986561.74 647411.6405 1588637.527 1662543.976 2138707.761 2218632.822 1894440.25 1828071.857 1294225.648 1469007.697 1862162.997 1235729.387 854439.3611 957424.2006 914631.4864 1258789.13 698191.2195 1263776.122 1366360.564 744123.8614 989157.7017 2118281.093 1155540.644 1209135.982 2452402.133 1184620.044 1532564.207 2079297.134 2064587.296 1756017.993 2513421.44 142312.224 3266315.599 331335.6157 Acetic PAR ATTN 69185.89935 337588.7793 3090022.982 124399.4777 272379.4516 171036.0264 247478.9315 142881.2513 143394.1187 176054.8185 338160.7967 161516.921 317104.4914 132508.275 63057.86882 202760.2063 116452.8499 202608.6075 184725.8011 167929.9511 191897.1224 220665.5811 227257.197 180516.4021 203311.4406 224668.8783 212745.5819 204661.0683 69246.58197 284384.4304 121773.2643 129357.152 255283.8106 132029.389 272210.4551 243850.7393 189582.8222 238847.0113 206795.3602 172841.6589 107810.852 244226.0618 287281.4553 32377.94008 282085.6443 134018.9145 119089.9188 178040.8288 248709.589 117517.9223 193635.8893 158213.3035 161730.9993 286137.959 157491.9562 138497.1431 215793.6453 123028.6729 230487.1723 236283.2031 260591.3797 302771.4066 338703.8032 75191.44509 246760.8717 113860.7991 [D3] Acetic PAR 2182366.059 5789858.485 29784771.99 9137209.681 8058126.065 9202149.882 9207648.45 7119197.546 9588718.474 4170347.496 10003182.46 6369591.129 10407006.86 10166916.72 1475540.202 5188840.322 5232971.709 9099888.601 8877212.708 6403816.114 8521215.206 11542917.32 7024608.924 10563752.84 5687004.885 8171016.781 10274734.13 8112942.509 2426489.322 6082411.992 2280736.984 5545559.192 7475429.491 7139365.1 3973884.361 6940713.587 9992520.997 9719890.977 17649893.83 5270526.311 5640099.364 12766464.3 8813784.611 1623676.722 11598394.71 7167896.955 8821051.821 7863040.431 6727870.525 5571273.855 9036934.299 9605544.327 5073053.915 7816632.712 8155891.482 8113765.108 6353719.599 9634222.218 8392768.443 7081584.087 9257005.872 8383039.363 8734786.645 1897702.342 7977374.753 2501046.597 Glyoxylic 45 75710.06178 6038.669394 16530.14954 28415.37999 12529.11359 31339.01438 18002.16476 19245.98105 27503.65155 13595.23424 29081.58458 8651.493756 30602.40736 25942.65932 5912.563337 16646.89958 6078.688973 73426.12334 6497.863701 68488.59219 73471.12618 73794.97656 72105.87228 59753.60147 69298.27124 71407.69916 68155.44114 75970.72294 69740.07596 10560.95357 4695.804175 5380.028516 70179.91111 11204.21334 76594.65898 76348.33406 60971.31259 66185.22525 61962.46187 69822.46288 71871.79057 61201.0117 87937.37676 70795.48116 17853.46279 30762.35439 26271.22714 11091.67485 21792.68339 25815.91847 39265.21029 18750.45598 23421.86214 30040.22546 26847.4362 20615.22689 25837.84652 19079.90972 31073.96918 28592.34351 26718.01555 35791.23001 35493.06286 88653.77837 4623.440355 75967.51438 Propionic PAR 548153.5329 328213.4524 556389.6871 27942.05236 91751.91587 1504281.056 117424.007 1265905.456 1250645.141 1229714.721 1202747.185 1450002.211 1832353.196 1323409.766 1898971.157 1729635.661 14919.02068 62597.37527 133034.7262 1438678.866 65273.35272 1270450.993 1344797.616 1461259.558 1258350.379 1851351.265 1432325.403 1456381.236 1930799.431 1668953.693 8783.139739 319108.9647 365949.1597 442303.8187 269714.8168 326409.5398 366103.5877 381727.5437 303015.8318 334241.0803 434660.6988 421855.7358 614572.6142 480843.3589 734696.1336 494844.0804 87206.24636 28631.77186 Pyruvic 32 3409.384589 1535445.505 112100.1523 243266.9584 75649.21963 52339.06218 53942.33557 174100.1352 50746.71304 53803.42244 95007.56574 23165.93251 73408.07137 179437.3209 5649.191542 13043.08243 35365.44806 222840.0296 27812.36883 341351.9587 241696.4644 310603.4833 336264.0677 193604.1987 260994.3486 228248.4959 231122.6366 302323.6817 7374.517612 3471.834794 15049.7525 26187.55706 326588.2403 21721.85951 289570.4729 208970.4546 313677.6866 344465.2925 239135.7419 212485.7858 186470.3491 246182.7158 344015.1024 3821.676343 63790.08096 58720.2348 73546.88582 49884.82135 68315.21825 79747.92432 65292.36852 60838.74118 60589.45375 75907.99621 75023.43896 93270.45334 86878.88711 54716.36517 110322.9287 89207.92585 59330.14168 91933.07017 57282.95264 10337.81408 1567694.734 7955.302636 Butyric PAR 1588071.792 265753.8391 331924.4279 261132.563 158136.709 116476.4798 261375.5328 139458.5795 153235.2374 166269.0121 109494.9178 218812.6737 308843.2005 30444.79789 44670.35249 112655.5663 119683.905 15540.71091 64662.3479 126878.6856 102746.8805 106977.4804 145047.0607 123641.932 128418.4902 146410.8358 159582.4804 135294.8659 129087.5178 144014.0788 136191.9305 161423.3024 191948.9105 158711.5419 143712.0107 160059.5739 106838.0216 109325.9936 154182.8312 105997.7698 49133.94387 1675957.227 Oxalic 61 70871.86701 126977.333 116831.5963 154520.8842 114699.8385 156469.7713 71827.53498 71831.36575 116888.0845 20727.36795 103439.8417 126827.9017 96485.37795 133403.8309 281559.7893 306004.0903 137306.671 106882.4987 273767.0252 199592.902 81565.16788 109193.5215 118465.5722 117086.8701 164008.5589 165472.475 128723.369 193513.2212 232574.039 253430.1218 264446.3834 243800.9844 140426.2142 225288.3969 116455.523 199522.8326 73074.60733 107847.6884 94417.74363 88660.08026 72815.70391 140781.1291 138327.364 210157.9498 107313.0152 94066.34547 82815.38308 91202.48701 101786.1818 107042.511 145121.0709 96972.16033 107875.274 129616.8017 88888.36643 107257.0624 106086.1001 139960.0243 109493.4914 149526.643 180299.8829 117033.514 160684.2809 288310.8569 176888.513 265925.7283 Lactic 87 887199.9791 234323.4834 160315581.8 195257137.4 94929725.24 161508380.4 172612907 136570625.7 166459386.3 108278005.8 205476167.9 76127802.25 181374650.1 176736665.8 6323458.698 34073031.79 55613311.85 98047544.68 52070667.43 100208799.7 101197037.1 103830210.3 99702403.57 90192931.02 104164670.8 99717945.77 101974299 116286249 787786.0371 7040240.443 30539850.03 53204024.35 106404667.2 48900886.44 107108507 96451429.41 102600369.7 104595439.4 101052132.6 102161645.5 99148117.32 105129827.8 116404630.2 792153.1255 179674718.2 180215544.4 198660278.3 143692285.2 179691609.5 190404455.5 187325473.7 167383674.7 152258875.1 214719853.8 215623141.9 149611847.1 217578824.8 148406105.4 235492629.3 205570505.5 172897673.8 220838783 182076126.9 1010649.142 294245.7398 812958.1286 Lactic 71 8122.946484 3169.869216 2107524.9 2789137.653 1030841.568 2086003.544 2352128.732 1656863.015 2203969.4 1166386.705 3172818.29 826434.4806 2558401.655 2375462.982 52444.07486 314510.3251 552221.408 1742270.75 472941.8751 1766965.845 1814027.18 1758737.9 1708994.173 1668516.282 1672130.436 1688108.116 1790471.966 1982344.381 10068.27546 67045.76148 318597.8158 507985.3572 1757732.016 455528.8561 1758355.883 1715376.919 1664338.942 1754075.661 1793833.509 1806725.036 1716989.334 1821012.322 2019241.436 5227.428739 2446229.293 2326136.893 2816046.983 1777922.046 2529151.604 2718424.208 2557968.53 2161457.777 1953997.767 3365136.777 3110434.28 1903518.211 3362769.938 1724439.884 3485329.445 3015166.293 2282471.956 3282708.429 2471525.475 8503.105681 1905.997698 7373.223995 Valeric PAR 130075.2736 361149.4348 402957.3326 186302.9025 335268.9251 285344.0669 285770.3451 265275.3984 241599.7591 433419.4095 331107.1201 225404.9185 593793.4475 226755.1149 27311.125 142773.4715 235505.9473 400062.403 195433.5828 293319.2618 295202.5497 383278.4298 297936.4278 308881.2459 297191.5424 285866.9155 319321.8909 267190.7182 126296.5921 23048.94582 137314.9573 269287.8795 333094.6578 148770.7158 348076.4911 313820.7822 353931.9406 289515.7201 268290.0488 356542.8127 288124.1741 329157.8979 259158.9643 175553.5397 138649.2641 175369.9477 164739.2017 118540.0591 113458.578 116346.0515 194450.2018 136072.2058 153108.6397 217617.6291 157434.3421 187684.3699 130173.1449 155965.7094 156375.1833 229663.849 306972.6378 264195.8244 288909.4934 214033.1951 380264.6931 172413.3879 Malonic 59 32065.38851 28094.99355 269694.4217 47633.52862 246629.8187 73616.1746 166361.2651 65883.49347 90825.73686 66915.32698 75362.3672 55355.82369 113553.0892 57970.59536 28221.05925 28085.32699 42610.37287 34609.117 22006.00137 101331.8987 9014.532048 46175.02009 107219.4266 70342.59487 6732.295548 3389.048934 53711.97902 93152.6615 15391.98556 21648.84963 30013.22262 56136.84546 26902.91533 54462.72217 30036.9011 89980.52419 13043.2324 38277.78291 54939.72645 28686.13792 41663.10301 7474.989824 13563.87496 43919.73652 54717.51502 37295.90244 50143.61999 53050.90366 64897.58342 52028.21982 86408.40741 71442.28288 35143.09926 35885.9263 48748.524 57457.93578 32977.02053 40111.18685 46043.80562 116755.7918 58742.70858 87721.88063 50972.50068 27223.25464 31283.79217 15659.54437 2-Hydroxybutyric 17 468.7227836 3333.456225 1031.553548 771.8203108 111.2630809 112.6784197 344.3161991 113.0238545 227.3700049 113.9904404 113.8481923 112.9274795 111.802343 351.1551614 115.3203832 114.4308378 113.7237983 113.5415364 112.7724902 229.3715704 342.2109161 1174.143 1280.637944 591.1664379 584.3793698 942.9200643 931.8257227 1646.369138 1400.61429 936.2179857 749.1079154 587.2597966 705.4585141 595.9534159 339.1714734 113.3028033 3-Hydroxybutyric 17 71724.83349 13188.70528 43106.86135 27882.53352 28284.7114 11891.00713 37025.20287 12222.98148 23276.99148 16840.79463 26084.51665 9936.498927 347.3199675 689.2071277 2269.91332 1880.048692 354.6124327 1286.440788 1755.251197 1794.127665 2736.763871 2013.140276 3508.974421 3694.643212 114.777543 561.5546285 115.0825093 1776.989743 915.4628314 1903.950378 2160.549748 5207.476893 1542.571777 2017.563372 1889.725228 3527.72506 2120.580661 3296.772349 115.6360986 1178.919566 3398.992022 3539.499997 832.9976506 801.991938 2114.547571 948.3242616 2102.537756 3067.419504 5172.109907 4195.15902 2126.622899 3860.092875 4109.677282 6008.129678 4728.31438 4369.065693 3661.838086 3072.282362 115.7359691 114.7778683 2-Hydroxybutyric 57 12158.55322 23533.47788 597317.9507 211943.4061 367194.2522 210738.0078 287576.652 355072.9968 339718.3627 181281.0997 657445.84 213313.0243 293723.1282 177311.7313 42402.86479 43630.83095 48970.45778 5667.000833 56537.75032 19539.34103 2678.616906 5862.512129 24293.69414 10609.27084 21721.92992 18254.70425 4995.920658 13182.9743 11598.38493 29891.49728 57346.91651 67282.69442 6039.118799 61027.14741 3522.43173 8127.207916 23496.57214 5679.549967 6837.057353 4034.619304 10656.06076 6351.480207 6705.839712 11728.94499 217492.6967 245468.7428 310953.0362 122403.3982 143161.7705 265037.4373 194079.9386 127596.9563 158031.3344 384171.1351 401973.3198 225144.2419 419853.8007 140381.6311 375222.7064 341700.4668 206588.0853 349035.0944 178159.9433 9492.530041 9242.052283 13876.91161 3-Hydroxybutyric 59 34226.46634 31763958.44 6048491.634 20013427.62 13364351.09 15733032.27 7095705.977 20157929.53 6792198.944 11258658.25 10079232.05 10733486.69 4982857.883 52014.12329 167557.5973 264370.0631 728640.7748 274567.741 755399.6318 650527.982 665499.4094 699210.1039 743048.1075 980168.7035 700345.8429 1085491.172 1283924.337 31308.9341 42602.36928 177474.192 323306.63 972433.538 260926.5532 630571.2419 675043.5553 1051437.486 686107.8987 1096748.735 741650.4546 825055.1663 1121266.954 1312923.242 31877.02734 788457.3889 1310739.554 1324425.467 795043.2668 742625.2116 1027244.31 950491.894 759912.8057 1077040.139 1894341.936 2020231.51 1835092.382 2766896.394 1334012.305 2208734.518 2370274.846 1382354.512 2710832.77 1369880.802 14717.42931 22478.66043 3-Hydroxyisobutyric 73 2081.034452 746.3396889 3240963.364 1024921.33 2132326.837 860645.3395 1130809.656 1226287.179 1142164.069 709558.2939 1183840.957 825400.6301 1060561.302 983445.7006 16954.87467 75762.80815 117906.713 320524.4335 112626.2125 304475.7882 312125.1278 309073.7335 292583.9815 318575.8559 310534.9815 304123.0056 343978.7309 334223.5937 1837.554129 20809.94471 63285.52725 114542.6801 317426.2236 104815.0908 298908.0439 300872.773 322749.4216 299185.1216 303209.4286 325447.4729 315969.7351 325853.0065 364938.3167 3588.458347 335371.5528 556372.8333 511466.422 323316.2641 339747.471 358532.4671 333613.7392 382347.4097 551020.3971 940760.5366 993524.0922 1134207.024 660661.618 776935.8959 1075488.902 1228462.293 665549.995 1370602.322 703530.4109 1670.998512 1617.434432 1225.086544 Fumaric 71 24776.42992 11411.73836 1255730.055 402595.7789 746002.5261 1747897.126 453815.9721 294450.3818 440262.6782 189065.8053 971881.3955 132069.8159 688051.5802 194848.0845 50657.20845 245061.8049 305788.75 953485.5926 326238.4517 818266.3005 765022.745 841889.7606 873643.055 850994.9439 875275.6838 810894.8257 819407.7457 912677.1891 19341.24161 114816.8593 307750.6785 393461.5052 755961.1819 305606.0086 821239.4623 886759.834 820781.2525 904403.4243 799985.3614 918187.0079 793819.1096 748005.6546 806052.9487 34297.97572 560990.9277 697290.0105 704215.9262 144202.0493 436729.5585 572479.1116 842507.3867 621712.1306 528308.8333 1439410.786 1501990.748 823450.4951 1356218.484 659892.8093 1407544.657 2055771.04 524766.8308 2027767.447 501029.7855 19950.39731 16355.27314 24177.93549 Maleic 71 96224.20396 127813.5246 14459.37266 16455.00616 56635.65049 36311.9181 19353.61483 38239.58807 32497.21452 33199.58465 18996.12004 21887.85675 68703.45692 34621.58555 15216.79845 37658.40096 14571.07368 53646.53122 49801.31396 58247.83432 62350.55029 41625.79248 39300.79407 50880.92187 44827.30489 34342.85245 66816.54426 63044.80455 89567.13001 64496.00069 11972.34441 60908.57407 55325.58063 31682.29331 69250.80671 53802.11529 49959.88384 50795.59874 51269.84017 45912.15332 48674.72022 43940.92413 38129.8071 87999.86977 6743.344369 7543.785704 36614.96187 22145.15489 32012.80115 34090.45542 15066.15201 20070.82032 32101.28854 12859.43026 22757.49337 14809.47035 47009.33012 25413.44075 14457.69679 28641.29672 21783.8767 98698.89934 40301.97664 151739.1299 113732.6684 98999.11988 Maleic 27 N-Acetylglycine 74 1572.703244 2268.034758 441312.2703 298105.144 481442.0873 331397.117 256559.0564 244265.4903 528422.8382 247283.5957 307791.1043 396151.0549 292410.3445 226000.297 3289.360471 29293.44442 45160.16236 6526.544045 37242.5873 9313.979735 4484.814439 8582.744111 2545.901269 6780.234811 13461.6511 9230.603375 8943.316424 7493.673247 2272.486759 11203.1084 26575.42571 41291.19205 4685.548562 38989.3306 816.3026472 15210.0456 6047.678447 13424.73912 2715.702151 3734.212172 10882.79124 11884.47405 6210.952162 2100.772477 90575.97955 122853.8525 128875.1876 77618.92503 95859.07512 125984.3406 56865.03796 98937.31432 90813.7987 115538.7471 131455.8938 125448.23 141678.8458 89043.63006 142661.7675 168024.9103 131050.6792 195836.4499 122705.5768 2923.514011 2410.349957 2801.72614 Succinic 73 20554.83679 56920.80347 860418.6898 653981.1726 726349.0832 2015436.302 10296183.14 1317903.327 12106687.32 861861.1862 26340277.03 938342.2076 11294816.85 286951.0727 159705.0125 755330.6217 1412274.886 5781881.904 1347244.488 5569658.348 5565529.496 5382034.888 5476008.497 5491849.283 5376384.28 5708767.746 5489251.055 5760928.267 7550.450884 234243.4725 813374.8775 1418153.351 5391135.04 1353326.775 5268651.512 5329614.695 5529613.117 5505603.063 5250456.576 5301250.479 5383493.472 5410787.11 5972858.453 35882.90768 11003021.79 12999100.74 17383954.13 4493807.694 7807908.943 12876668.85 9131073.971 4994587.496 4782783.132 18619990.79 22388981.84 8576197.178 16466560.38 1895428.619 19267642.88 10420079.73 6735447.177 11904226.3 6933231.24 79211.79493 100771.1386 36328.20193 Succinic 99 3608.422588 17068.05143 121286.365 82405.0791 90234.5982 238440.6786 1287385.654 160092.4944 1568985.505 117796.1939 3434834.283 118964.46 1389804.61 32962.30899 15641.67565 90600.62535 174873.7901 743435.0064 183506.355 735478.7689 714898.6883 724701.2956 687512.0105 685792.7457 692229.9016 717097.1373 696583.6905 732195.3087 6082.643131 41712.68601 93264.74645 191719.2596 656419.9447 148292.1826 706123.7714 675886.1538 720502.9988 688467.0512 651857.9534 693526.0755 709770.5988 676891.8932 760514.7331 7660.817991 1389384.385 1634435.2 2160452.233 572009.5186 973923.5437 1632474.758 1100928.98 628960.3399 567261.8173 2309270.216 2942886.413 1089692.401 2084255.857 243276.1204 2454742.61 1314643.89 877246.0739 1504296.264 888296.3198 11728.37081 7843.293899 18615.25214 Methylmalonic 55 535.5678556 7698.145046 4384.315893 14288.85285 1974.745483 6378.207094 4245.435959 5335.553824 1885.350026 9015.580653 1830.827904 5293.31051 1191.689159 420.1197492 964.9073727 1599.734948 1742.762317 624.3219516 172.0214252 157.9030024 1517.615218 1256.43938 299.6638289 281.6010023 442.9659902 194.5671732 1133.230078 302.0469997 315.2604023 401.8087225 1094.004542 1205.932614 982.4370492 390.0013782 1580.097639 276.1265351 437.4615174 541.9397266 482.3649666 1211.104412 396.3537872 5902.218755 5621.972994 5471.422734 3298.459034 3812.880812 5049.480123 4015.611273 4931.337477 4458.500107 7672.296355 5052.980412 5273.495303 6191.257696 2513.606331 5922.464358 6162.126275 5171.79999 5931.497419 5293.909726 196.4482348 101.3822551 97.42188754 Methylmalonic 73 18268.315 2914.773044 80082.91734 33357.52052 194718.3579 27071.59663 92016.69757 35981.47157 71627.90287 25375.74745 142838.069 22771.89882 70890.17111 31869.84724 8082.98386 13132.54256 17791.16049 1861.06302 23366.26641 8333.541109 4526.489715 8530.726786 3081.333631 3659.392459 13857.35349 7580.025546 22622.9813 1977.668375 4950.399815 14644.20832 46454.54939 21206.87252 12067.87955 3753.84217 18156.1348 5326.38421 7017.448877 7253.876281 7216.334264 4718.757413 71626.05902 72252.58808 83716.88187 65933.68594 52107.29068 77717.33418 56416.90778 63148.47708 56994.84495 109376.1375 107975.3399 73228.96894 66549.8466 51318.23416 91923.09006 91483.0871 58589.37316 94236.51291 58360.10414 7511.596916 9778.194773 14547.84871 Benzoic 77 64748.25021 88812.75387 40052.8826 23698.89609 21101.76121 41681.79942 28914.46118 19971.59782 18830.93796 28294.75139 11948.25434 12802.89509 30202.49366 32601.97807 18331.78561 45448.17937 51100.47914 54436.56429 21540.74709 35222.70764 51916.05796 50643.82432 45965.03317 29991.8997 29590.41737 54574.69775 44615.74462 24658.91373 73002.05725 72135.5736 47459.21979 76946.25488 51692.00835 30986.94012 59098.91677 63854.45631 46304.62966 48424.33328 46571.79659 45758.4974 38810.23176 33912.7836 27186.90765 56939.22694 13754.90276 11989.29894 27351.0642 10628.30293 28841.66239 14325.95871 29685.98549 15197.41764 18103.12141 21584.51372 21665.67291 16258.2245 15065.31352 14944.9652 21495.82711 37772.47389 94918.5119 56267.03144 123364.3573 30550.38039 141121.7798 53149.83484 Taurine 80 2934.205239 25694.85636 18221915.7 13657107.93 31883468.36 45952020.64 30016926.04 27818848.18 10554512.91 7397878.429 27147659.21 7733155.535 27094070.87 8610884.424 1843645.525 4111658.682 6059778.385 16890494.18 5686369.201 16889332.1 17359480.44 16478899 17624272.32 16668873.28 17277586.78 17159661.23 17245972.44 17240036.56 3768.939217 1243496.219 3882142.488 6226206.455 16402076.76 5829292.61 17632897.37 16512537.09 18053264.47 17550814.52 18160160.98 17104858.73 17311955.13 17665781.34 17522849.5 12546.00515 11732709.3 12059824.81 10931889.53 11834450.25 10803528.69 10077500.92 21118055.34 19892722.65 19151188.92 39988494.17 19970189.48 14333767.61 11674147.5 11633032.8 14317351.1 43550709.71 11023587.77 49961690.96 11404717.11 16161.90145 31494.23528 8672.90125 Ethyl sulfate 97 9916.447665 2647.856535 25304.16906 2694.791201 24486.19009 20994.96307 3355.684243 4517.72159 1750.958667 1707.950862 3792.236209 3372.504314 6596.072959 3039.921165 722.0150659 2357.775806 6340.669771 34046.73583 2669.719798 22706.15325 21464.79678 28966.07651 20868.65019 20687.8988 27529.34882 27047.89871 27736.03931 25563.10134 5382.028112 1861.461257 1592.972098 2053.851667 34859.74468 2186.391421 16879.56815 19121.6303 25941.71184 23780.34375 20401.20258 29678.58453 32345.9671 30410.95967 29808.49319 6235.103492 6729.896718 6637.885755 6347.860914 5058.122357 27949.7175 6225.979935 4073.702465 5023.764083 3535.87585 21203.03353 8732.259593 4975.864148 22519.25824 9095.291892 11513.58295 15822.53902 17944.3771 21011.04651 22241.85001 7272.527415 2230.739616 6979.682526 Ethyl sulfate 80 4805.844976 1185.351847 3476.009472 3111.50669 2856.183415 336.4534849 7263.652618 3478.381103 4934.818892 5193.425357 6178.331889 3661.03433 7052.775889 4640.592898 3055.023933 6756.064679 5010.095825 4804.925673 2658.624807 2453.588586 1347.729354 3080.635598 3663.724872 2258.995064 1438.709133 750.9440215 6632.449644 Pyroglutamic 82 2527.509132 1594314.246 254133.277 48586.08165 87081.61895 1487819.66 76761.76618 76778.84153 107048.1899 50534.40997 123562.1925 34595.73275 104694.7102 27505.2871 2631.484171 5880.53037 8009.988252 22828.88994 10625.59559 24528.01524 25652.23091 22280.95481 28309.90179 24873.96305 25705.78899 26831.97634 172083.0965 37162.66571 1052.901525 2430.318054 10155.76494 7808.221816 26054.11929 15919.80962 24052.41355 23181.56681 26709.85113 24866.03462 20044.42649 28693.00988 22166.96662 185346.0022 37340.88248 1139.353573 31050.22583 33282.24809 34804.81984 29001.07016 33875.85948 33270.83943 52933.27486 41656.51632 59018.02075 127196.8879 44860.42742 30712.36278 25956.78089 23858.19488 40764.75098 55640.28807 54548.47695 62664.84468 60714.14745 2369.187601 1779820.769 2473.628648 Citraconic 85 26620.74964 25543.40815 13589.65417 4722.404678 15798.94965 24557.35248 7333.548487 6733.655974 9789.756465 8807.438315 10371.38818 9389.238073 14612.78095 8835.605188 13352.62761 11686.65452 9927.782735 33269.72828 23881.83227 29878.9886 35878.42707 33310.69812 32850.37442 36899.08648 29865.07123 38010.60555 40360.35106 41804.32506 14299.20928 5928.826531 7512.154467 7242.524386 34125.08754 2799.911871 28396.53934 34569.02961 36266.70879 38456.69772 28086.9285 34335.9085 29182.02583 46836.05182 42281.51973 21709.57672 7218.977799 18667.67089 11290.62632 6828.273179 13650.88992 7604.78479 6903.238496 4561.838909 9431.612344 4762.470881 13699.14927 8172.813234 17326.83269 6135.95311 18067.32779 12399.77785 10418.59335 9267.179107 9539.027677 35263.57429 30284.98367 23596.45314 Itaconic 85 10173.65821 8003.75891 25740.12528 8879.677276 15192.61972 9008.7964 15184.30279 9842.406716 26097.85061 12084.99658 35368.11854 6352.709909 27238.19642 13797.29713 7740.387214 9026.639574 9910.002204 28878.94056 22208.54702 13484.98123 11331.76222 29370.09136 16798.89369 23262.82955 33355.11554 16608.34405 12477.9388 19197.58954 13222.61463 15518.5609 10156.4049 19619.87041 15433.97553 23659.96382 14485.88877 21298.2786 29188.16014 17604.47245 20480.31833 17522.13223 24651.54207 32326.55665 16165.20281 5408.291723 13158.2014 11254.17239 16467.75764 13117.28849 23525.11729 19922.82927 14687.62064 18032.94367 15210.49009 19793.51808 31830.74448 16361.34011 38249.28462 20461.07816 21028.97722 25645.26052 31066.28352 11408.89448 27231.5934 14436.89293 11527.22242 20278.11611 Itaconic 41 1237.812038 894.3184372 963.6375239 353.2808583 2524.204112 1470.724467 314.8439283 1340.94619 2054.457635 1379.939219 1657.695 663.7202156 974.2377953 732.489175 1110.407419 1573.687123 2877.186538 1051.223808 794.2604827 2548.225094 864.668508 762.4064832 703.2938617 2519.089244 2753.414886 1026.086204 3565.126259 2395.503241 2421.120139 2487.195945 2557.258275 582.8023942 1530.763355 1428.859378 2185.336855 2065.018145 1275.317961 1934.546321 1996.9671 2498.113858 692.2753897 1770.256924 1145.646377 1259.171636 692.1575318 850.8904184 673.3776942 764.0455797 114.7652833 510.4835939 831.611342 1354.469155 1592.584524 2664.41134 1824.357378 1980.026745 2026.597647 331.6428764 2102.668011 655.0264541 996.1995619 2309.695276 681.8250495 1817.820178 1752.455295 1618.401274 Oxaloacetic 87 2976.35423 4381.543264 345950.6891 15704.4176 615234.5675 29443.47748 33101.06689 21206.10807 15440.03643 5193.912535 8223.928992 6610.946551 34421.76407 5801.192199 10326.11721 7283.129072 4437.998625 14085.61346 5131.436225 22619.23428 16319.31175 11130.70079 19985.23339 12328.19169 12553.04737 13117.20504 7203.67817 24396.64285 5328.659033 5505.498235 4180.43584 18064.32155 23602.68047 5764.551237 15615.22588 14326.02615 4166.684895 24314.14096 6947.120551 10022.49033 18186.29812 16433.67275 18833.78387 4125.930968 8675.189077 5222.401866 10814.78742 8761.57337 6807.847856 3954.70612 11244.34633 7109.982169 6664.12449 7520.923218 9168.903634 5149.705434 12431.66512 6678.54669 9546.502182 8401.691512 12910.78189 2985.728757 8108.50751 8094.314528 2707.551805 7032.304066 Asparagine 113 3830.00136 1120931.62 317800.3825 55300.28039 63731.50001 97447.39042 174208.4672 145217.6027 198848.1915 16505.2629 237070.6829 109203.6023 187298.9153 84355.2018 7691.54587 43151.97104 71719.69817 209908.295 88386.87958 245848.682 232737.7263 250341.9663 270953.3915 242666.9293 245806.7984 247554.615 245320.7233 231194.3882 4047.129105 30639.97764 72722.97049 107957.68 248346.6266 105407.4529 262877.5803 255077.451 277759.8861 275270.2149 280581.8414 255224.6778 284042.1725 271255.8792 283498.2695 3563.496272 140697.1213 258901.1118 253632.4863 254510.2894 252570.2269 364799.5649 218319.3432 216174.9505 249999.9411 334152.932 346447.73 293052.1382 145237.5421 136175.582 189194.8736 210810.3021 22507.90252 208849.627 33401.19759 3536.129549 1250256.041 8504.925768 S-2-hydroxyisocaproic 85 2583.593542 5724.118819 207333.526 69153.4595 138675.2654 45428.52156 65747.73337 74385.8555 85676.43646 35295.20626 69246.28553 43425.2883 59223.08995 77539.20363 3110.522758 16306.23219 26320.39849 34800.87538 19704.95335 35605.86143 41854.69967 37974.05747 34148.28901 36463.89448 37229.25941 39945.66283 41047.8563 40488.18058 3618.737068 3628.942588 13653.61244 23637.14028 38610.83979 20524.34517 36811.13918 35007.17888 37760.53953 32185.60024 37991.67352 41500.47376 33382.64259 36399.02269 36875.09902 4891.399532 41607.79863 32262.35266 49817.41064 39526.37978 56721.46841 42808.16203 32112.52491 36053.35712 30927.75609 40263.17331 40596.97339 44320.92137 40673.39008 45649.30454 53404.06832 53586.23214 48377.98028 62391.56435 55038.63432 3515.574717 7390.369168 2487.364725 S-2-hydroxyisocaproic 113 125.78667 2034.662099 1164.913323 1019.635551 989.5433705 1432.143257 1375.808637 578.8295445 384.6258277 963.1857999 90.58986515 1033.753072 1477.25956 184.6071036 557.3827759 309.4188762 834.1421695 881.0576751 141.6160746 550.3734383 176.4554077 214.5094736 482.2016041 135.8744629 240.7853653 437.1277604 114.5151707 277.9865368 1056.970813 222.2734155 359.5380846 158.0700733 Aspartic 88 2526.484072 6456278.238 91617.51269 147621.0466 181471.691 554759.4007 279650.078 218822.0202 81703.08204 42528.47288 247543.3591 145363.9127 152409.1648 101125.6351 22091.35364 50825.09378 85118.17592 322092.7958 135143.1185 322985.8485 384663.2756 402996.7818 391999.5004 420899.4949 389289.5959 386756.7718 377576.1084 407560.8701 7937.490076 87160.66236 195474.5072 218111.6964 472596.479 292895.4646 520669.0384 514124.7318 503185.5164 503161.7592 497639.2952 548728.5939 508160.9003 578410.2774 463236.9098 13031.74988 102294.5596 172547.6755 114856.4975 241430.4851 116320.435 155525.5293 84821.99214 320946.2655 394103.7611 442945.4964 210257.748 223213.4354 103592.2738 103717.8366 144369.9728 431812.1135 59981.61644 428118.5578 48325.21125 9384.500791 6965975.962 9941.896859 Aspartic 115 1719743.391 28380.10523 31593.00978 40561.33916 146154.0252 78126.76932 68400.89805 27585.24046 10788.44091 71086.70781 32138.63007 40251.32632 34113.60476 5346.127888 17225.919 24815.87173 91357.44135 44128.94565 114001.7091 102810.5946 106951.5938 116430.7872 95009.96536 119375.5688 109642.0806 102729.7021 98404.9566 332.8488504 22237.48696 60668.61554 57473.927 137766.8456 67426.01978 138145.7494 118117.1997 161697.0129 148904.0067 129788.4214 134766.7204 141502.6268 123800.8454 146232.7705 1560.228961 38191.05659 52399.17286 36133.80259 73495.7151 43947.34983 50830.90358 33529.4369 76528.68495 113162.3938 117837.4583 59189.29233 56187.35287 24445.58232 47095.05225 39862.79977 117406.0435 10241.80564 116887.7177 9001.493529 437.5861827 1833078.019 1709.848433 Malic 115 61291.95286 303276.5004 22636670.51 7304346.246 12540016.29 28946598.29 6231515.474 4781381.027 7585784.036 2271822.647 15432030.61 2289344.992 11618189.17 2807881.294 1095798.007 4502251.835 6445880.514 16690534.34 6072552.899 15726685.21 15385820.61 15118619.93 15705172.86 15041436.36 15305627.49 14652336.06 15445640.93 16450594.79 117728.9311 1079851.426 3930696.23 5928103.65 15391311.98 5721714.458 15017612.88 14639768.28 15194965.61 14967884.49 15058533.53 15561167.66 14946182.64 15581384.34 15867496.67 77383.19204 11485801.51 12785287.04 10927155 2482163.285 7380879.544 10670873.87 13395912.03 9445118.761 10316900 24076294.33 27480247.29 14118688.05 24125777.12 11146425.9 23234880.85 34317979 7626283.557 36184456.17 8054396.954 146639.3361 263307.356 98989.40589 Malic 71 15360.5064 13671.83339 7334451.393 2440323.231 4009320.606 9290185.454 1992426.479 1627094.526 2390823.702 778964.0537 4871925.076 719621.3222 3846133.16 894442.2837 353408.8267 1352264.213 2123272.025 5283066.187 1954594.886 5030840.014 5096438.084 4940189.974 5280132.742 5024640.399 4720001.028 5052819.135 5108277.222 5398701.186 33217.23877 407265.8781 1219393.846 1983134.889 5057250.851 1990841.571 4645181.218 4875408.367 4911925.137 4919644.404 4853889.326 4913613.573 4902095.48 4744829.978 5263026.714 32837.86874 3677986.136 4334398.348 3437208.378 766532.7567 2400609.02 3409511.436 4251172.806 3259440.674 3281014.711 7789843.305 8778639.959 4515156.226 7958631.613 3532021.273 7560859.855 11610662.15 2593814.173 12155482.95 2607138.289 12868.86417 98241.10421 39497.00615 Ethanolamine phosphate 79 2019.560975 4325.653758 311750.6875 361070.5531 380410.3796 880296.0742 228319.3501 72937.21435 69291.84846 78656.50244 214572.31 66371.1617 146765.2553 79627.20455 22268.88025 18875.129 49126.82147 204221.8696 54420.40167 200286.9956 148344.5678 168083.2261 207107.5983 190455.4422 213788.4185 146692.6247 214957.1363 222724.8861 13809.08623 17507.05368 15769.49024 37752.50602 197193.8129 24268.70903 182503.6738 171857.7761 199706.7151 206281.3485 173191.1945 191046.6319 204490.632 208066.5118 216817.3985 22697.57419 208265.8356 199370.4063 166975.5749 73071.84606 86224.57511 121811.5257 168373.0422 163616.1563 194940.5535 429268.3806 204651.6869 115047.3604 67841.1239 58127.95866 71227.0068 300219.1866 102796.0129 300366.2359 106079.2806 12463.57156 9686.975144 1810.919463 Ethanolamine phosphate 63 217.5033612 13660.68192 20031.82399 22802.04663 55556.95404 15051.47873 5088.488118 13277.60805 6628.182949 11035.1876 8258.410506 12539.11795 8777.640913 2231.482319 1691.275894 2829.930723 11993.27 6170.27386 6410.028426 20209.25943 18745.33435 16269.80974 7881.745579 12467.28796 18095.59093 14350.48001 12945.16361 2547.674108 299.1096648 2611.906707 8725.5545 2417.645773 10905.13909 13858.08131 8524.361859 16169.17887 16007.82723 6327.573036 19366.93965 10084.24134 10556.94805 1097.9776 12857.54644 10646.79514 13849.88195 6947.666888 5969.653553 14152.35391 15697.50911 16651.28052 17846.48248 34855.4388 14696.75336 9837.583742 6241.756544 4691.132474 8693.030699 28503.70673 8206.669094 24998.3042 9617.840869 1823.376855 227.712446 148.792598 Octanoic PAR 600258.5949 477827.7578 543231.4442 782240.8002 400133.2959 584870.0971 845640.1522 542963.259 1123924.781 860886.2082 844614.7216 481140.0408 1070276.458 698678.0301 38502.04832 243844.1052 466016.0701 1088475.17 512963.3962 1739103.185 1257256.49 1888233.539 985129.1 1817289.182 1491463.335 1170165.555 1327908.425 1151042.321 569111.4734 69228.42368 221544.7628 830361.2997 1155393.007 540028.9434 1784503.839 1199694.698 1771195.776 1025250.842 1718115.043 1547554.871 1151000.684 1283110.641 1103701.379 609464.2605 382453.4882 312707.0289 414205.9608 305349.463 313942.842 336567.7488 536249.8305 420211.2664 312464.6033 444396.5746 428422.9607 379294.8334 428776.6602 359330.4643 360004.6385 422738.091 878975.3859 667541.7047 900529.1172 621637.7812 476608.7155 626309.6675 Ketoglutaric 101 103620.6797 282024.8758 1560215.259 632580.1211 459337.9774 200575.4774 449514.4861 1474523.61 1624835.157 602023.3917 1805109.48 382620.4975 598637.8728 566732.9111 799972.351 1015659.531 1140066.38 1639304.186 1393534.341 1389020.538 1673199.65 1584231.855 1633784.193 1655763.026 1702827.479 1578475.569 2002488.264 1730295.133 157850.1891 1565928.22 1107845.754 1266635.605 1420436.377 1222477.927 1801334.473 1750388.938 1739705.868 1893898.32 1929006.71 2029415.174 2255882.64 2416945.83 2379610.676 229359.2531 687751.9416 296369.0599 740290.2763 733077.2552 1305295.649 1417227.064 479757.0548 792622.6725 1245060.837 426910.8072 2444937.521 1985738.703 2477521.013 1319994.258 2211617.277 170988.0157 218959.6537 131345.5235 135332.7875 251742.2654 294906.5949 103909.9 Ketoglutaric 57 67831.93276 272366.0719 649368.5093 121193.888 384513.4193 123403.3363 304081.2495 788246.1075 952834.7549 202553.6829 531977.3129 493205.4453 650416.1269 740584.3368 658128.605 182637.2455 224633.8759 385274.5783 1120025.29 500075.4921 479368.0956 203913.2144 713536.1849 577445.2127 501333.1689 559879.4135 545549.8257 422315.9228 145914.7083 440895.3113 1168487.792 597552.0594 413874.8934 1024728.539 243707.9611 509090.6046 358637.6461 418098.3671 642347.1851 736667.5194 780428.3057 767194.7271 780913.5985 175215.5236 235738.0739 173101.0123 180705.4905 407271.7186 776625.564 802687.7516 981033.6478 1354736.579 708157.2041 704836.9684 1095597.034 724047.3032 893213.0688 1014072.255 549301.8566 745623.5625 1216790.65 642116.7854 749528.2342 304365.0482 46044.9635 O-Acetylserine 116 302.2608715 1732.177179 314791.7404 131838.4819 379753.846 373941.7956 93271.91027 122591.7093 109051.6761 81624.537 142294.2142 79894.43491 123839.3495 107896.5944 6275.181588 25879.19982 49718.1558 128446.2813 47536.56377 123170.4297 121519.8181 122931.1228 109416.7983 138317.9893 124267.4172 123012.5633 132898.3937 141435.351 533.5043377 4487.938993 26691.49854 45326.4669 114713.7807 44739.00687 144794.9215 133320.3907 135548.878 126664.528 127746.74 109813.3594 131964.0992 121932.2068 137150.7247 1212.652504 105118.0413 152599.9402 161016.5698 84741.6845 116297.0066 134714.8926 75065.15873 112068.019 118193.127 199809.1184 214262.7077 138106.997 136481.9915 105890.3222 180273.0686 213141.9202 136609.8226 233588.5223 143741.9885 595.2096532 2307.94486 241.969594 Glutamic 102 13434.27012 9013936.625 444176.5567 556727.9915 720336.1436 2485379.382 1140281.218 764182.623 417048.6613 840506.4999 1507441.759 310173.6298 1453488.136 341281.4594 96014.75344 202692.5039 302116.4166 874292.5829 301980.1417 763381.1226 789798.388 759427.4085 759853.2379 756226.3362 794205.4601 754589.7512 769067.3358 784050.3217 16572.45266 34753.90049 135356.0868 252079.8267 765638.9732 207494.7434 701652.7125 712543.3945 725743.5972 729566.3752 668128.1204 686361.0856 747015.9813 712298.3933 740596.7998 13863.37211 254934.3195 307226.0767 349104.2651 342473.8259 260099.7727 357213.2528 1174753.991 633619.8357 738721.7039 2051642.705 635272.0398 419465.2753 294426.5263 308445.264 424583.6774 1769026.382 918984.9689 2100378.701 938111.6875 17415.13364 9457907.26 16503.25558 Glutamic 128 1029.796402 1835051.213 188973.2927 113912.5677 134950.4801 583742.7159 238003.0324 137770.127 125481.3795 234105.9674 307659.3207 80743.98645 303577.874 72905.90122 30217.4011 50513.20454 74382.1116 164704.3629 50170.95623 139289.8783 156679.2155 148442.5999 149659.6399 135778.9236 141751.9362 145500.4695 149177.008 149853.9278 2053.276462 11473.74161 38310.01374 54216.85584 130174.7718 54131.4569 135051.5726 143117.5752 130974.5847 148073.214 131605.8759 139835.6515 140195.4382 139192.2921 141933.4727 1152.033147 93340.82815 140231.0612 136816.614 100199.3944 136400.472 154578.2187 243921.7556 126197.152 148034.8047 422357.3319 116664.5656 96346.64527 65398.37441 57222.69239 83742.62929 462416.9271 207666.0091 422019.5223 207961.8983 1628.913884 2288630.521 1036.254021 Xanthine 108 1495.768098 3005.090459 6705371.853 10289.19264 10315.34318 8938237.528 15056613.1 15079.84656 14164033.75 977160.3399 18763045.32 6165.835821 16716212.84 8590.249368 288812.66 1275760.164 2310982.474 5688057.4 2123755.005 5403657.191 5244778.128 5305417.94 5390235.829 5369791.708 5376473.204 5323053.321 5267177.878 5435972.055 2717.529989 304454.9154 1326365.763 2210852.086 5167538.339 2025790.797 5092991.794 5120109.386 5074110.006 5185970.179 5117579.128 5159910.69 5118167.079 5087764.108 5441850.125 1521.466777 9075530.234 8472500.879 10121636.1 6093660.034 5996847.128 6597484.476 10182746.73 6163650.569 5159156.526 13518765.38 9029357.569 4051580.84 9177439.796 3178441.597 8296408.757 9741877.129 9456503.888 10630165.73 10027097.02 2790.472317 2414.032663 2092.401606 Orotic 111 3495.894294 4402.918216 429699.2113 446800.955 743589.1379 408676.0904 380801.6937 465995.2304 552994.4307 261897.6443 623613.9717 260102.7852 373626.4646 417514.2963 23058.32734 113137.6396 220655.743 783352.1013 199650.1144 784126.9033 735255.2387 773512.5079 774833.5564 759518.431 784279.3734 736538.7625 753102.5224 785899.5627 3529.87096 28841.81277 123375.6371 212900.8279 732932.5269 182888.1374 741168.0906 710771.4426 718031.1851 680362.8951 707313.9965 690181.3041 682954.8124 680731.2615 730850.6163 4409.615341 213332.1942 168640.6521 254594.3257 206119.3487 231867.523 242845.9454 138568.0949 248869.4716 256567.9635 327861.0455 355406.8555 353618.1072 382612.1498 504121.2903 601936.7958 376411.5184 252929.9993 371981.5397 316350.6839 15248.10082 16317.47589 6030.671974 Orotic 67 1566.153524 1451.458864 7540.51585 6922.849392 8804.030996 7934.625797 7030.387905 5189.353635 6654.613579 3484.040635 8907.997136 2168.380868 5362.11246 4619.208374 2345.015839 1810.512428 3997.616449 10320.60273 3541.886116 10332.13806 10527.83025 10315.84608 12465.14667 8098.353924 9702.249207 5176.072764 8409.389532 14946.77152 586.7723434 1175.268931 2813.593619 5493.802105 12201.68961 1821.633389 11492.26787 11376.1293 9660.43352 9261.313527 12908.19131 12282.05688 9763.512086 7088.983381 10475.83236 659.679542 4178.064351 3590.577545 4845.459547 3777.548632 4700.6946 6953.823459 3784.290337 4900.515901 4920.884812 3315.815348 4994.682304 8091.806851 8295.604575 12873.11723 11651.60539 6301.569901 6174.725637 5351.123357 3334.979945 2200.651032 3773.032749 1880.997084 N-Formylleucine 114 2130.307712 4556.336336 13161.0338 7076.119894 30866.56637 13800.35337 15269.95411 13397.7861 26813.38027 9233.989205 44460.59305 11765.28849 22756.90974 5323.517196 3317.244096 3941.214308 6907.419514 9798.070353 5502.241713 9994.706283 11090.77426 13554.18715 10224.82127 13939.71859 14978.26194 12705.77303 9908.614375 11550.82267 1851.862514 2026.809423 5402.215134 5314.634039 9117.440413 5162.267381 13974.15298 15350.86802 11493.4021 9868.064929 13113.63406 13193.39326 11518.10525 12494.26808 11170.82398 1154.685491 19086.78297 20886.05073 23504.37873 9696.720275 15072.29053 20380.57109 17465.19317 11231.13741 12167.24781 32046.95046 27992.06187 14054.28227 26611.55871 8930.462961 30769.12545 12376.57025 7519.011307 17365.09205 11586.04929 2708.896195 6132.254085 3783.643241 Indole-3-carboxylic 116 3454.898312 54870.58812 138961.3304 100000.6898 215805.1101 240932.3372 66668.2139 99886.9706 98134.65867 74534.32734 113960.3493 82004.06298 88609.76213 75821.4817 7595.247725 17094.66952 34907.63495 59678.47154 25753.21221 92037.76671 83047.55178 78725.86413 76320.48656 61231.49238 59262.84848 63950.52714 57980.34909 68389.52196 19216.32176 5134.910749 12577.5837 32657.24951 58353.65316 21309.66477 85055.837 54222.44254 56875.89637 82057.54273 71303.76797 74312.49753 57703.65733 63509.63243 70862.62882 5493.46414 102502.6924 141243.6336 127521.6658 83505.08815 66833.48291 109476.8393 68558.25306 83225.68732 91750.78276 175631.6964 164427.0649 113849.869 154033.8724 96712.81395 164663.2293 214546.7282 124465.5008 193171.2875 131788.4502 12811.60937 60610.75861 11367.60858 N-Acetylcysteine 84 453.7617487 714.9077057 1562.915179 2086.100514 2896.865833 1187.364305 237.0807111 457.9711178 690.9394335 695.5076246 1277.188423 347.0803035 1179.65107 587.0640858 697.4914466 1035.589848 234.9083142 2187.680637 912.2450698 1866.452336 2432.897471 1175.640201 3037.971084 3306.300877 2591.13445 2842.379216 2201.217134 2349.891173 350.2711378 901.306493 346.5499111 796.612582 2467.769727 1024.090831 827.7217002 809.0705465 2583.814736 2815.870084 931.044959 704.4829543 2289.230009 1267.345716 2217.185575 230.5128623 2321.819946 2803.592367 2069.535827 1169.327197 2826.413324 3033.585682 1998.438951 2470.147799 2798.633884 6751.962319 2430.369859 2684.976 2166.537495 1398.435786 3742.725999 2363.904223 2489.669608 3081.655623 3758.533741 347.0004717 350.655828 1617.599127 N-Acetylcysteine 120 119.34815 240.331373 903.1683109 825.417471 234.5038302 236.2737631 122.4534039 122.8759692 Phenylalanine 147 1187.374328 12592382.14 5272266.765 3082420.552 4185990.764 2944988.64 3759840.243 4376514.088 4158358.378 2827035.837 4638744.353 3389478.141 3173998.783 2795598.096 69857.13304 347897.9713 622198.8142 1991895.121 569911.9013 1805384.569 1757869.266 1869862.436 1921671.928 1964831.894 2004128.922 1771046.847 1908832.222 2046261.917 1724.553661 67552.45938 347684.7809 570247.9343 1885625.005 569956.5253 1882128.594 1857549.014 1886525.678 1857734.229 1595922.449 1791694.77 1800421.352 1830114.37 2050494.756 487.3141328 2906535.456 3507686.196 3146035.469 2746379.931 3142692.344 3562606.97 2980200.577 2987703.378 3052516.334 4043130.662 4172105.841 3780095.924 3882964.948 2805719.465 3683255.334 3161586.905 1967958.479 3307704.934 2149155.612 202.592167 13291461.49 1068.953757 Phenylalanine 72 5168884.292 1930031.84 1099036.667 1509297.711 1077192.538 1446068.306 1624425.037 1597878.425 982693.4967 1677077.598 1206222.569 1284867.543 1129528.455 20608.11219 102912.0748 211850.269 766452.8206 194272.1271 765137.8569 744348.3974 742586.1973 806445.7455 729530.2145 782196.7799 736112.2266 792820.9764 832884.0631 4776.51248 90070.1778 221966.5439 721880.2088 181971.2393 719129.3892 771654.1149 743304.0351 742688.1083 721309.541 722019.8428 727188.6482 769287.5826 760404.1539 1031152.715 1269741.472 1313805.072 1098757.052 1162450.235 1442239.25 1065723.955 1073482.059 1083816.284 1494669.804 1657836.98 1409331.153 1596850.632 1097690.969 1521232.147 1184740.106 781856.6817 1354793.032 782978.9649 5401429.495 Phenyllactic 147 15082.09381 9077.214582 121015.1596 46513.11526 62897.69475 32069.45299 31286.20588 47895.11633 35617.84282 16976.48804 55501.30389 29999.46649 30581.82622 59917.77072 3462.735022 11099.53413 21494.32797 31240.04883 18373.01211 20350.27567 30970.43979 37044.57259 33328.85088 37105.62404 31829.5458 34244.38043 28095.29975 32930.85685 21556.98307 4393.091321 12143.42597 23019.31427 31694.86791 20444.11971 33109.3954 30248.02366 14160.60989 21314.61509 32948.6598 37968.24919 35229.14637 27168.83476 39305.01987 9516.563139 62777.78092 32317.43846 57020.53906 47791.89339 111590.3565 122408.3356 56102.45154 65929.34934 37589.36804 66068.18108 60172.6203 50490.76413 81344.28938 44355.24147 98181.06484 62450.62405 66105.90275 61259.57103 68851.04862 25350.22957 4527.12752 22951.31517 PEP 79 512.5725743 563.5188962 468436.9079 136336.008 318071.3097 1416368.165 237551.8738 202491.4863 24108.69469 267774.1745 101064.861 50845.18756 177633.0002 75782.62979 4975.23639 8930.397246 12528.42261 35947.63453 16038.91235 32708.01991 37121.29117 39413.60484 38437.45564 34873.69369 38280.08172 36132.97547 37191.0788 33993.32044 1113.330375 2322.354348 6660.156344 14916.52822 32782.19401 16209.29754 33615.19418 34429.25724 32968.60631 32949.85641 34086.78706 34487.21241 34227.44828 32928.95699 38917.37362 1797.89292 38253.90906 36148.23984 25603.68507 23583.80898 21937.39461 26019.31901 442731.7741 116136.6228 96243.64204 365629.1779 38093.02475 24686.01925 23111.99288 37255.00199 34998.49381 681373.3645 623158.3527 710711.0275 599786.9993 9236.035634 5075.572003 2659.210815 Uric 124 1051.328423 1702.839287 18265489.35 10288856.8 12825538.86 11769911.67 19174934.46 18926595.71 20244487.6 12348166.81 22210131.5 11359224.1 18944308.3 10883201.8 481167.7043 2698652.076 4506868.553 9915337.763 4394903.14 9705596.939 9531034.006 10028685.7 10175390.57 9584915.736 10329691.47 9754087.58 10933236.46 10808379.89 746.1699907 590072.2783 2562978.701 4577471.273 9728936.362 4405260.762 9553332.131 9608722.175 9931395.814 9854946.758 9632580.362 9736199.306 9686788.686 8983581.284 10154604.49 2825.178 18700523.57 22232276 23261831.78 13485744.47 14752376.73 18477949.99 15260087.18 12510015.48 11955435.39 20210337.56 22739204.69 17345543.73 24543180.81 10838064.82 21684709.25 14874090.1 8672291.704 15473383.89 8932624.313 965.3288667 1418.426895 951.2053719 Uric 96 6830908.095 4009309.327 4447889.721 4164325.478 7354075.62 6977739.808 7639632.936 4618734.883 8108682.183 4702494.348 6677337.424 4108946.926 171294.1756 1052808.447 1673324.01 3639746.059 1682035.118 3606686.897 3685403.201 3621390.242 3716304.564 3585209.917 4010141.595 3462177.017 3966292.671 3823320.795 208601.6104 932261.6917 1706999.464 3609232.724 1679575.975 3511819.139 3533037.162 3535102.511 3653943.068 3366905.253 3638186.339 3721567.331 3527564.661 3878058.951 7226784.882 8115174.583 8879842.888 5116117.713 5537504.236 7406932.131 5692436.015 5093461.686 5060575.876 7724197.854 8496032.82 6443295.701 9242812.273 3904940.629 8501899.335 5675170.746 3193590.388 5622514.593 3255120.607 DHAP 79 1131.15103 855.2861167 587216.5428 101965.7376 356753.4849 125626.3033 211348.7911 112542.5798 48722.79765 116086.2406 168368.9003 72012.70625 269453.1477 89618.07436 4525.227173 17090.42544 36963.48305 108260.2807 35870.92978 105841.232 117504.9323 119616.7972 125764.6764 113688.7848 109778.0127 108565.9927 117031.0205 117406.7251 1063.415079 7427.581035 22150.75584 38276.80318 106865.3156 35353.23575 108217.1042 114583.165 116445.3133 106776.9154 109666.4025 111355.1896 116926.2508 117102.2759 130554.9339 420.1780732 42418.79512 25045.96162 33141.5457 28641.57614 34522.32021 25120.01867 450437.4828 208312.6545 162332.0268 343446.8777 62821.42208 43096.21971 31793.37663 60947.96944 40320.69378 769448.4707 343550.1692 814661.0775 324448.1273 634.216843 261.0189372 607.7620174 DHAP 97 717125.9806 72024.45457 454385.2642 119371.9579 231726.3292 137947.2171 20599.40495 83378.81724 185229.5883 42554.73377 215299.1231 64867.23786 4078.260236 15647.5391 62619.42647 16887.87513 69494.14991 76046.73082 84179.37429 80328.65694 97251.21941 82337.67286 97605.0927 65450.73628 105252.1885 767.6133874 19734.04225 72364.92616 12184.71752 67775.01666 109949.1695 73997.68024 80013.33316 112788.8564 76175.1306 84372.30816 104536.5856 121844.8817 42354.60833 6362.199522 13084.06465 16707.00263 12941.0647 588710.8029 164347.7677 121504.7345 419397.5927 92796.15558 14257.80542 34973.63473 24452.76064 848042.3379 333044.906 959363.2794 334188.4736 Glycerol 1-phosphate 79 1053.312818 728.6729769 72842.92791 86397.7398 105933.4899 258613.1779 125801.288 104363.4011 86923.75886 143588.6621 109567.0666 60495.82611 90354.22422 80485.06498 9482.844484 21327.674 30790.46338 85699.44135 23422.4905 85825.62852 76275.13265 80367.87598 76238.64634 73905.40878 74842.19284 72833.93308 77832.64808 75945.01893 4055.860964 6937.372906 21792.80886 26504.8557 70777.36259 31928.15365 68718.93398 62628.72308 75711.36025 79540.57069 69864.79417 79509.90187 69416.72188 82091.47169 81943.20424 12880.92164 68055.45101 84657.19426 83130.24882 78480.89213 75932.91829 85237.1634 181889.0208 134926.588 121551.6217 156568.6189 96035.00935 74714.61196 75054.41516 81018.18412 96651.62707 212162.5714 159983.7694 260211.2945 166208.4096 8379.60025 8574.346749 4684.474814 Glycerol 2-phosphate 79 2925.928312 804.3835384 3233.145543 280.8359038 4055.860964 12880.92164 8379.60025 3515.346354 Glycerol 3-phosphate 79 614.616759 1006.613058 1347475.079 288633.887 503101.1466 2374212.302 1247039.499 744442.1223 603248.1434 1258113.037 1930535.56 199010.1243 1178845.038 285524.3192 47575.36699 193698.4992 380254.5272 1258267.298 455323.9366 1423742.147 1401603.266 1433539.512 1472766.656 1482057.925 1378130.14 1454937.157 1520371.917 1503154.708 11534.28096 69030.41335 353572.7826 543479.6591 1504352.441 525326.7571 1559194.678 1530099.568 1631986.363 1623907.53 1563498.643 1648981.192 1645917.019 1712479.731 1584852.944 5562.240399 992405.2795 1347014.192 1506251.452 407789.8678 677904.8373 996886.9243 3100142.704 1025649.926 1017156.547 4721241.504 1962558.216 775938.8631 844856.2809 398338.4505 1347459.182 3541408.46 4057133.393 3820374.997 4009541.904 17607.92418 7466.656001 5703.22674 N-Acetylleucine 130 3200.991112 9680.469658 1096946.872 321041.1323 1446548.152 401404.1365 243485.2875 801035.3838 317307.0791 490645.5243 553240.9769 571436.1018 278734.915 276856.81 11198.61993 50630.63498 88332.00646 140097.0475 74917.35823 131645.3845 139268.3847 148400.5024 146868.444 154628.641 154816.8571 154003.1969 155997.5334 167472.856 1406.557088 9477.925707 46983.42561 76293.07879 139451.5754 72538.29121 133480.1907 152637.4041 128745.4509 143521.0841 135338.1244 158624.3605 147238.0824 132836.6016 156156.8641 925.4515783 264457.2178 505919.913 408655.0553 192169.9117 272150.5007 427146.0052 215296.9453 255893.9576 240972.6738 509154.7932 697159.9641 497196.2521 594929.791 268135.2604 548204.3185 490654.7707 261234.7474 578528.7684 270692.8345 716.2808702 12649.36694 1490.002109 cis-Aconitic 85 29675.84137 16980.93757 1872865.721 518455.1058 3042257.392 798372.7206 794014.0199 508227.5988 817505.2289 214232.4439 750033.9328 410113.0667 772805.4368 559084.1003 31373.87243 76007.46908 117211.2172 424103.6483 124347.5123 385185.0683 427514.3728 427911.8424 395727.2989 430797.8319 396665.8127 409738.4739 415887.1238 451996.5189 53925.43596 51321.51152 64258.35834 130063.5458 417186.5783 117546.1499 428797.1707 385349.7081 377825.7471 388945.7099 404299.3518 416797.9556 372225.8999 418075.5102 423968.9171 33358.30594 354332.2468 287258.8663 306415.5465 222123.6284 241726.6775 236185.2621 400668.7563 521674.0507 420696.9886 724041.7473 648450.9963 452619.0552 468339.4301 640690.8586 739595.4114 702371.2289 248385.7301 652931.9084 277165.206 57557.16065 46965.62147 45506.72771 cis-Aconitic 111 1589.244803 1581.660354 4352589.805 1276913.004 7142731.002 1816569.064 1940020.672 1141503.503 1633133.874 471192.8538 1791279.2 968332.0252 1834836.447 1294407.208 30123.13988 127068.0517 242504.7563 1026271.665 227684.409 911389.4898 1012354.744 995732.3043 1003770.055 898498.4238 897587.9624 927078.4348 972799.4991 1020872.787 3470.45837 31150.8658 115038.9104 250997.2511 874340.3081 226320.6764 876874.1544 1001686.893 856498.2985 949903.0944 924782.4198 984478.2012 904332.4577 921462.6223 1020557.246 3176.685021 760410.7851 681984.1486 747075.0641 537446.5646 563861.8807 566103.4655 935319.7058 1277492.461 994112.2012 1776576.705 1342158.551 1035905.105 1042830.12 1559312.261 1781239.549 1580927.351 550300.2212 1710736.13 613294.6225 3145.886067 2527.732781 1426.722421 N-Acetyl-L-aspartic 88 808.6734442 803.7614064 78845.07155 67363.24267 179074.0847 379064.4382 302848.4624 124485.7203 105645.6714 269757.1938 214355.2998 65525.0345 261559.6546 56304.11005 11760.65774 26541.16755 43690.55817 155210.6955 43969.13528 127774.4058 158116.0059 156242.3779 147378.6474 158194.3257 147195.1963 152659.0453 171917.846 158360.6753 403.4557149 10793.07817 42259.51876 55417.18273 163722.497 46103.85694 164177.2267 174611.6281 193676.8046 189240.2538 175994.306 189585.7687 187107.2 191188.2254 190770.7447 848.9909793 180845.2485 233791.2607 207800.352 146874.3071 187649.7749 191913.9155 126948.4068 199080.5741 177926.8626 359443.4704 235195.0915 169429.0337 193835.6979 140355.9846 199673.4717 216979.1601 233232.679 248599.1629 225418.5369 715.3073886 1998.717798 538.2113936 N-Acetyl-L-aspartic 156 42222.75318 37368.89258 18142.96924 17971.566 36344.8812 7666.61543 13919.48846 64153.31535 50230.40542 36288.06513 19488.41974 34162.51664 4099.567792 1219.73855 7816.093148 52600.21981 6583.695677 39913.75634 61529.27802 29241.59456 35671.46614 47927.71862 61358.84992 41789.70529 62960.9624 60794.7091 1102.032344 2900.280871 16199.03994 63219.90813 10615.88558 49685.7728 41694.47292 57352.83472 37906.59651 37593.34699 28834.61235 54301.67353 42761.87891 68116.34009 33421.18408 39992.31094 24174.73083 47297.41915 11287.333 57625.50011 80845.46328 29462.81505 39154.72267 79069.93242 69286.97649 17148.63461 59756.93424 41634.12041 15896.7282 97582.02065 77252.47694 56728.02694 40921.92878 Citrulline 131 2519.601209 14307.84007 10778694.03 3313571.621 6253796.274 944326.2544 1576567.368 3099380.328 3472916.306 1756619.648 3792176.575 3432099.256 3437377.64 3035660.047 186640.8804 988614.1153 1569456.18 4692662.757 1768020.102 4841207.959 4988570.62 4834657.204 4986759.299 4796066.15 4806060.265 4777709.197 4953623.411 5073438.528 2503.275199 256322.6662 1137081.058 1987319.562 5080286.424 1822144.271 4957547.45 5117387.695 4992828.665 5101005.52 5102899.352 5074879.525 5164030.008 5134888.437 5469830.622 3602.970511 4220247.355 3760560.119 2386474.463 3088642.758 3851778.502 5575955.292 3042897.286 3764359.655 4352223.524 5089516.448 6911739.087 5062115.848 3285990.378 2896875.626 3363522.036 3736308.111 2348304.364 4062001.677 2401568.713 4819.095902 20481.05236 8035.350996 Ascorbic 157 48611.5822 65932.7671 6815.133086 37551.37328 13322.08918 32691.20767 9525.606829 2905.103251 7620.183053 3714.825165 12638.90557 7829.676938 5764.437488 7286.177704 27609.41784 35046.81318 24582.5181 7109.818482 28315.86147 6018.527163 12190.89148 16604.20755 7379.964227 10530.08432 2717.757236 26238.26458 13008.0944 13476.54242 24175.93037 35178.71439 17783.41914 11742.79851 7777.102973 45916.45519 7827.302484 7766.995638 8173.670406 6226.848524 3467.482866 6643.937609 4833.411597 9920.244786 6147.458305 28915.84691 7904.734721 6887.950205 8287.449045 11625.2764 15533.38404 6558.259193 8467.902656 4100.073557 4419.125809 6214.796772 4475.583083 5910.114819 4603.560147 5426.359568 6308.288806 10408.26588 9265.578126 9555.410056 8667.172817 20576.35141 94270.22108 17104.93995 Ascorbic 79 13524.24625 8292.850006 2367.420373 655.6410938 9345.712199 992.3491503 1319.453317 950.6197162 1109.82758 9764.397338 3472.152002 6677.493292 4321.54243 18273.59496 25740.70526 8421.759318 9950.804469 11583.45699 5445.197486 5410.180803 3144.675617 3154.469742 4184.599516 4085.302649 5135.479067 15614.31988 3082.570222 8674.661024 62864.20791 22380.67573 8182.849049 4600.081827 14797.19535 8819.17133 6059.682246 4295.738457 8112.17667 11983.43496 4505.327547 2434.108387 4460.554 9932.879711 9349.228043 215.7574057 631.5850208 854.0309621 413.4773498 1360.507464 2410.851427 5212.564248 712.7626993 17905.61894 1034.733214 5726.264137 1017.983184 891.2067396 2592.12417 1043.898038 2437.26471 4957.646523 1039.804828 6059.215635 21637.56379 16621.73974 19091.85945 fMet 128 525.8303606 1228.761994 13296.56301 18927.46371 17144.19949 14561.65618 10559.98923 13462.61059 22182.40043 9791.55185 17366.27248 9581.812637 15378.70767 13564.75012 3381.514548 36068.63161 72572.17779 168631.0398 57559.65627 179691.6774 181614.763 194950.6616 173431.5599 196859.9483 186216.7893 187238.731 188859.9757 181886.0235 571.9797908 3564.056573 30632.50725 65431.91309 165417.7407 59981.41203 188207.3646 198463.0941 197158.304 184768.5888 187073.6558 186769.8954 179445.7477 159406.6716 196521.8299 601.1054111 16339.62671 19193.51122 16665.19098 19333.6498 21072.30084 29596.6325 8690.175774 21078.69998 20988.22984 18922.68301 23660.81538 19137.85663 21807.0187 13496.36589 22327.7001 25079.67015 16025.22877 22759.63124 18780.74802 502.501116 518.9969286 506.3840868 Glucono-1,5-lactone 129 496.3595191 22690.89055 3676.751505 2618.199239 15122.97358 2776.551971 5449.164371 2375.749822 6942.848085 855.309398 7680.368907 2153.203153 7467.010446 2252.161361 1477.367626 3423.281746 4757.237946 3187.876052 2493.792733 884.1243922 2384.594473 4152.018304 1887.410425 2018.519185 2579.53855 2567.593763 4770.673672 1894.000685 738.1099166 1735.220193 3900.969685 4447.027318 14665.17655 4115.15272 1705.926804 2212.001028 4883.04716 4288.880747 1762.53659 4172.428701 2344.303537 1202.219333 1998.140153 210.897804 9671.373984 12552.80338 11588.07888 4815.35549 10925.51597 9221.804992 11994.15364 5589.197714 5546.682191 17723.59698 17544.11468 7379.405944 13628.56809 10312.04689 16871.81075 17388.29277 2674.200646 21735.09472 2159.388271 538.5203616 21785.14388 538.5388736 Hippuric 134 4682.206423 2837.75411 85255.94649 29434.31198 368556.2267 88150.95608 33337.44892 35569.42273 20019.0734 33754.19429 30356.11693 14169.7399 44245.17401 28059.20286 4317.102941 5134.185017 7057.416711 20113.73538 8987.8444 21258.44103 21861.62122 22159.85657 20999.58274 20207.07867 25176.21142 19103.70558 23977.31334 27643.27459 1589.300549 2693.335101 4097.951649 8370.12517 18223.55684 6555.365107 25454.68474 22487.86791 23907.36487 21406.83008 18775.01396 24003.13612 18856.52851 22119.3002 24979.90315 1398.761609 30337.80373 35438.99112 41187.25327 34979.02531 40733.58318 35871.37053 57452.4315 42863.20588 52917.40838 81128.25597 60140.75294 61481.7488 94927.70778 86747.66901 112064.8581 180826.1978 156795.931 195918.8848 187816.5348 1732.664962 2692.330003 2476.30801 Glucose 59 24024.35123 119560932.3 5653321.752 13656887.66 11677388.16 9501239.807 8648628.856 21169901.22 15209290.46 9437103.746 29681336.67 10978772.91 7432574.777 17341277.56 1857598.923 6104816.779 9142687.767 23078052.51 8607981.016 22578455.77 22362496.74 22021352.23 22057809.62 21646694.53 21746008.91 21657743.3 21941014.44 22685172.93 33569.28061 1735456.98 5847135.843 8578577.514 21379872.35 8293961.715 21407255.89 21423478.33 21448868.7 22013594.85 21078345.35 21808804.22 21683432.11 21511472.49 22998691.27 4065.885964 38992454.06 48682637.37 52008482.92 16950650.01 21498403.16 40054102.87 28239074.03 18519085.35 20901333.57 43899812.02 51228289.17 30389636.43 46796889.58 20267081.14 48674254.61 29670710.15 11036150.16 33067092.4 11172447.38 18713.9663 122379849.8 28268.51464 Glucose 71 14454.79868 51642695.57 2147480.693 5281899.45 4595056.408 3655622.615 3351936.809 8262173.903 6037667.748 3592780.403 11650948.27 4290642.04 2891958.108 6764466.404 771866.0694 2490526.177 3690528.668 9050384.099 3428786.811 8818698.282 8712364.098 8467062.92 8646090.543 8450978.761 8477264.1 8454548.852 8568160.012 8997503.101 15339.70265 746026.2845 2326327.319 3383754.219 8446725.572 3287356.853 8234200.192 8332674.996 8369402.439 8412467.36 8235871.99 8637207.673 8375832.098 8300865.965 8980084.333 10956.99635 15029928.62 18764930.52 20413790.1 6629523.925 8482692.59 15357878.93 11108372.4 7248905.285 8286046.587 17452996.59 19904350.56 11984331.98 18232967.22 8017535.077 18845358.21 11694170.03 4305365.237 12965507.08 4455730.061 4580.040427 52914728.75 23866.24152 myo-Inositol 161 97061.92437 1876479.715 519475.2063 564355.0896 459312.7333 565419.6511 243668.9817 136737.7872 83745.34169 98812.93282 195357.3986 110061.2624 189689.4434 182832.4593 24226.91292 68177.71859 112493.1733 243953.0124 127076.9512 240567.6993 252160.3486 212891.9601 205669.2271 202862.2162 215259.4887 221829.6434 224254.1045 190856.3109 6747.034069 37480.75896 87785.9738 112582.3623 232397.6731 112100.1661 254029.0903 194875.0536 209865.0746 227021.7798 204756.3089 206921.4977 200944.94 206063.738 243567.203 2967.912683 235094.6322 177513.5092 168352.8208 85514.2277 139735.9496 155612.7866 120932.2617 176839.8989 172758.5765 333409.1745 246221.1642 149497.3371 119396.6645 107190.1212 158725.1208 254482.0063 130589.9334 283868.3501 98381.10783 8659.662095 1813828.904 7507.467626 Fructose 89 1806.40872 33220.31962 87802.50622 67868.34807 50582.72436 61229.98799 46615.67158 40024.97402 28612.47054 38193.57062 23389.03214 33305.5407 25120.29068 10783.27235 12633.16668 71850.62863 29385.25322 61702.18957 55698.529 57423.87379 67454.00326 73789.84791 54641.35832 65479.31031 58355.31557 66396.73629 1912.439513 4201.190544 21821.04884 47871.08008 19787.23471 63204.98373 67833.32905 52642.09491 55275.21822 51645.74242 62949.12708 63708.66749 14674.19104 36559.03041 30682.97304 49247.24316 29128.38227 57192.63655 53808.72984 71327.23669 49342.47598 69415.49588 33957.98075 31039.72486 59839.77584 69842.02372 78594.24472 59975.08954 92312.0948 2576.072518 60016.8967 963.0936896 Glucose 89 6116.475107 159473062.8 8209029.505 19802558.07 17336632.1 13249191.74 12471541.1 30921782.53 22167812.49 13502313.39 43102087.84 16100689.94 10534120.88 25417314.03 2832584.506 9057334.812 13860299.1 32688346.92 12465606.77 30841442.95 30336264.67 31056753.83 30853244.69 30980720.01 28997862.33 30381453.73 29711394.11 32074366.89 9176.003784 2618492.306 8427286.525 12169701.18 29087206.15 11818139.48 30038390.88 29697112.99 29988961.96 30337607.21 28332429.41 30117435.24 30185053.69 30128713.56 31412890.47 5869.494209 54155362.53 67258492.51 70042172.64 24156362.42 31476358.2 55558339.12 39764799.83 26483833.37 30517525.15 61813472.1 72633213.49 43395660.88 64579668.42 29479593.68 68376860.17 43948679.88 16146254.14 46790218.34 16504148.06 9566.299528 164631441.5 7836.9713 Mannose 59 10766.81887 5204944.104 11282393.69 9084271.045 7506684.137 7403749.856 16115401.42 13009970.04 8277704.264 9501959.426 6342185.276 14358986.25 5364076.409 8417225.491 17051371.07 7959190.879 16174813.79 15239331.28 15523821.29 15453170.31 16061947.54 15798694.61 15291651.12 16227028.44 15833469.44 630.6911622 1800015.348 5046323.107 7280387.723 15592089.29 7197354.129 15323382.98 15007552.58 14866021.49 15132156.84 13782354.88 15397866.51 15324257.92 14836729.9 15242260.61 1194.315589 30443781.54 36894923.92 13941980.87 17325060.76 31535203.37 15583034.22 17314959.92 33626118.48 25607198.16 16928181.33 38168226.73 23175889.35 27073687.37 9514065.081 5764.429445 7068.946945 Mannose 95 3762.43799 185473.8403 342486.0048 269762.8195 243969.3266 201247.179 502862.3177 378282.3895 283869.9236 402626.3494 246066.8864 505194.9517 209545.4908 505242.6332 512709.4804 455045.313 502066.266 441317.3974 472633.4609 476850.5999 510831.7609 450459.6428 12580.04617 426.7580879 165285.1033 214031.8342 422443.6901 226863.2045 499858.2675 442609.3639 425069.6409 415580.5307 407488.033 415329.5686 473055.342 417954.1072 474467.2317 1510.406538 888005.3883 1159252.751 466557.3555 524525.7781 1005271.249 469451.2817 475147.9648 757918.97 1106535.67 528279.009 1228683.577 735897.4644 270246.4881 803546.414 319521.1161 1701.756448 17289.27375 Mannitol 89 4029.289268 270842.8854 92655.96743 50333.7864 130397.2822 85538.30295 118289.3875 70366.96458 156149.6867 67941.74764 227821.6025 46730.16573 107678.6664 72514.26612 28098.38599 78765.76551 174271.0697 342120.1205 158881.2292 312326.8046 343803.4149 244448.7755 282480.1859 305444.3503 309564.6954 300212.3674 293852.1486 318581.0906 5456.274272 22891.42999 108313.351 161943.9034 345467.8455 168564.1003 321075.0636 278938.375 297864.8732 276024.0452 294099.6365 294497.4739 295114.5988 313664.3071 294545.7788 4094.965027 142355.006 190668.427 167521.7942 109907.2448 307205.0544 158930.7903 283815.2817 150342.5545 102450.26 415141.8682 192397.3683 122112.3724 229297.1914 101095.2028 190222.305 250353.2501 260587.7933 302418.0474 226908.0797 3905.927553 297517.6499 6083.307605 Sorbitol 71 1428.693529 205773.6159 65067.77571 49506.85265 91436.95107 42083.29072 88338.50435 55857.61264 87364.23745 49141.55301 178823.849 37518.06025 76054.57077 44556.66472 20256.84642 84065.05328 138158.4857 253645.0649 101480.2529 241253.4133 238450.7667 183902.1599 240070.7036 240428.9234 253403.3671 172599.9857 233732.4943 245665.727 2718.481649 20163.19724 83191.9359 134484.019 235507.0748 131800.1491 232280.8943 217514.9552 231741.8671 218897.7095 220545.7965 247989.1486 224576.237 230940.0321 246146.024 1656.878122 100684.6288 120296.8111 126122.9882 83798.10906 177975.5682 132619.8191 191956.1542 104135.0119 78331.4251 302403.271 138495.3888 93305.56792 186688.9679 78930.61919 130908.0593 203667.1697 201874.4846 239829.8329 215976.9071 5222.024475 271709.0387 7819.168236 Saccharin 42 4695.451206 8202.128106 1595.119504 720.9607139 4054.23017 2918.738902 9051.541795 2967.092624 3746.123334 10215.14427 3646.326258 7414.700885 4433.993464 5532.39701 8181.449628 9949.311864 1361.169725 1545.295111 8191.60858 1779.009647 1742.531934 8530.829549 2041.744036 3133.978776 5483.215217 8943.479213 2912.901847 3433.542326 5280.876494 5130.347678 5908.824373 3281.783322 6287.799351 4976.94382 4413.020634 2713.90119 2713.82999 3264.563169 5601.63005 9076.371641 1408.051262 6144.259924 4872.786121 1734.920102 5955.728115 6518.715286 12679.26359 2559.447188 6547.608285 3990.35429 7951.381031 4449.409053 4366.986276 3660.960422 4523.544442 4781.739222 2709.532048 1761.496036 3399.643036 7312.341607 3997.767238 6288.3256 8362.965831 1925.192057 9779.2303 Homocysteic 80 2526.901044 3390.781053 3339.151945 2765.977604 5245.648524 1714.292175 591.0306557 1572.970215 633.8526702 607.1156275 3165.25794 1724.339864 1453.291083 589.9866665 1218.2693 5048.335054 3768.623654 6142.687017 2726.218226 8985.525014 5095.238909 4368.348525 4973.588543 4650.61326 8132.67714 3740.505698 5971.272268 6147.916046 1395.753038 1085.578497 1473.611119 4282.288072 4242.954725 2827.64241 7840.705159 3578.702998 4611.064408 5957.158275 8185.226173 6009.691907 8351.267021 8557.827847 4457.375288 2159.62292 4040.244914 1984.276538 3173.802764 1288.409189 2033.022296 2320.248047 1278.0006 2337.646871 2859.491584 1579.122334 1465.496687 2000.863161 2452.524864 3728.094759 3423.006742 3578.194059 1174.767859 3423.708042 1076.957249 1020.410085 4816.180476 2886.870646 O-Phospho-L-serine 97 751.0311418 868.6968976 4139.659938 3268.142749 3559.464724 13031.92884 5216.222759 2908.03893 4631.0769 4929.584312 5582.977659 3507.045161 10448.96777 5132.432732 2109.512518 1205.108497 998.9224266 1238.804674 1667.387977 627.6045293 581.209427 626.0267746 1029.633813 1702.181364 798.074889 1814.440019 1400.170934 2330.287963 581.1395785 2042.186952 926.7653226 753.3129771 469.2474454 684.7764615 978.406336 1101.475352 1242.619122 1414.639443 1215.392263 1709.286744 1207.373912 1325.554193 1236.993944 1275.624118 684.6756417 816.1343034 3105.713885 2654.138582 4061.245015 6513.492318 1865.155102 5811.94259 3638.453266 7706.075733 2314.228067 2974.838484 2119.113491 1639.721978 3185.797921 2243.482813 1923.672804 2304.353164 2542.715622 2358.171847 744.638892 1812.835783 O-Phospho-L-serine 79 240.2444099 3PGA 97 3037.473394 5258.234906 622004.7432 237488.3038 488172.0872 1548009.225 255361.6492 244315.6136 65612.05903 62820.79946 57944.5043 45578.19781 150800.4811 28188.49902 12317.1689 37230.79095 31456.83131 67831.14387 22918.55798 75605.87626 84334.42438 89648.17231 89231.61613 85946.63415 84121.49859 82998.02738 79100.10379 91596.20213 14009.9122 10458.28539 11082.31517 8657.602996 70010.12148 16594.07389 41970.56818 65349.41123 80412.21426 84176.0841 45236.7283 73130.44298 84574.48757 75371.83116 99856.0066 23179.76605 37444.95375 36212.23164 47500.41978 12335.30038 22854.22226 18137.25182 289178.47 64431.32604 60331.19135 133725.4674 44484.44661 17580.80978 7245.924772 24685.14106 28340.4281 481045.03 29172.79551 301407.3502 97468.9222 10258.97305 17467.2903 5807.140039 Citric 87 5172.010192 20604.58322 34174520.14 9144040.424 64831568 17454139.75 18656906.64 9259481.34 11973949 448355.7632 20718008.28 11430936.69 31391568.2 13864285.74 805278.8122 1131633.687 2249766.183 8660740.588 1843831.763 14583514.69 12904851.83 9413324.662 12440181.06 8899382.071 9237440.377 10273587.25 9762524.594 11283292.88 315584.7781 517038.5091 680104.9638 1344748.596 8888286.712 3628869.797 9766418.918 11711347.01 7228984.733 8127778.727 6848264.06 7092926.59 12527528.65 10730762.2 10523686.35 769955.6463 5808829.131 7390189.987 11059776.89 17225999.68 12457800.43 12037163.48 14799428.6 11403239.89 15405564.15 13954289.96 13475662.73 21883272.52 14362438.44 19211398.75 22943492.26 16904968.58 3805500.426 22936020.18 3289791.858 403380.657 950715.4861 Isocitric 73 1418.004944 3263.45282 4119074.517 1094484.899 7682129.629 2168287.066 2350429.147 1151190.288 1169837.969 20783.98086 3051292.841 1670233.985 3324246.182 2366054.82 107566.4028 213807.0249 437160.5417 1656773.325 404100.6533 1601427.893 1680696.756 1542050.56 1729997.45 1616660.925 1547612.092 1701239.682 1586726.704 1636988.15 74195.78091 62451.79284 182268.9307 392225.4299 1500997.758 410365.4589 1625483.783 1401968.335 1547209.142 1495647.966 1563839.28 1521180.265 1583871.462 1617803.162 1628108.875 71349.90223 1260644.2 768763.6529 931931.0497 724117.1823 690469.3598 633981.2008 1907798.28 2018271.346 1790950.02 3118799.373 1786324.113 1177630.434 1164800.201 2303876.035 2515512.795 2917107.968 133668.3706 3160097.2 105940.8326 23449.10484 27915.73904 10630.87046 Isocitric 117 2129208.352 604209.2407 4482754.735 1298647.693 1311248.384 570776.8001 609513.568 8663.286964 1555452.193 877374.4009 1866764.656 1301576.967 59853.95922 106132.0864 224055.9896 867560.923 230272.369 871014.8773 895935.4649 843980.7265 810750.2774 910819.0689 791807.6471 836441.9057 815567.0676 860807.9939 35974.18153 36934.97478 74714.44458 192330.0235 707703.8364 219492.1366 773721.0268 784158.1134 790599.2322 803127.7702 794128.5325 820106.4534 886723.9757 825280.2891 834539.0272 36526.37433 612639.8055 391752.9362 475154.8194 357926.2544 333009.3792 302064.935 1002467.377 1012311.502 894703.5733 1590771.695 936207.282 628928.8351 541521.327 1249182.046 1274975.427 1632345.727 46327.42382 1611400.569 67262.32123 10374.82643 11451.23257 1465.27373 Citric/Isocitric 111 8969.649618 47013.7002 117265318.4 32831916.75 211371515.8 38889540.09 71918347.07 35141218.86 41891309.94 1654567.49 70030374.63 86386219.87 108866526.1 59555151.06 3905352.227 5736015.614 5629744.872 49150975.28 7204795.36 44197479.39 39716484.43 36687954.06 51031249.73 41546373.06 35072918.86 31168767.93 21839559.21 57750962.17 3372936.844 1421315.312 4930471.515 12287513.12 26191226.85 8909584.209 31801141.73 19034192.89 34559156.94 36175985.28 51509999.56 57881137.8 43565922.52 41737528.84 32361842.49 1709727.84 31589263.84 29491823.54 47242134.91 36645582.55 42704112.02 35778713.74 50424038.44 33199568.87 54362208.06 59269278.79 49237303.32 83843158.11 79692613.39 69498490.91 80737722.74 85518894.17 13514021.67 80649168.04 7812910.428 1365233.77 1755285.034 974462.2399 Citric/Isocitric 173 4586.866645 4617.708376 10241652.92 2948147.717 20469270.85 5709466.263 6566898.064 3195489.45 3060863.662 80773.85711 8481058.053 7632322.531 8902801.944 6727075.041 753396.5579 727102.3899 1527637.482 6567592.845 1751653.348 5201579.933 5678535.009 5294612.837 6801877.892 5596004.898 4612808.097 6082701.608 6511607.494 5676919.637 354364.1332 276423.9043 713781.1693 1391232.871 6123220.877 1695869.155 6103701.283 6444940.889 4918324.881 5177650.745 6719087.35 5967558.532 5792018.211 6124199.554 5816813.982 186560.8904 4676380.106 5461065.759 3050604.544 4744574.884 4794428.297 3941291.249 7244200.012 7203994.277 6072684.076 10802950.35 5691558.223 4488299.435 5888163.186 6613138.306 12708234.7 11565930.92 1244186.612 8951811.5 735447.7642 144827.3034 176726.0373 Sunset Yellow 2- 171 326.8976313 562.4097443 456.9605028 2606.479988 3133.60682 2290.945098 1609.479494 1613.399065 336.2853949 341.3937069 1145.223346 903.4734015 1256.095282 2496.893487 334.3522893 113.9416223 332.8698975 1142.990384 553.9087701 1495.86605 2025.313167 907.431697 1522.297861 556.6561951 553.5051332 887.269395 115.8219267 468.2554984 678.0967952 443.6216986 339.1297292 1375.24865 782.7596075 343.4948366 1326.301865 2094.736142 859.7188357 470.3718193 665.7043532 770.4806842 780.8434247 2133.697642 630.0693896 578.7975734 580.3925787 697.8256185 115.3434075 465.0517363 436.5105297 1727.284544 4608.027987 2083.995113 1271.306973 233.9579026 227.0692397 274.3452218 453.606614 2074.491427 795.9643417 442.2739657 2117.772677 325.8231794 1007.998113 1417.274921 Lipoic 171 70.45131848 72528.47874 2049.407163 924.6033701 1457.841721 615.2489079 401.2113766 849.0993985 695.9982414 149.3636423 897.9451914 484.9213014 784.9190723 711.3708181 144.9793399 196.7597202 286.176573 348.2677191 69.96298813 328.2591403 70.44994529 211.2756062 149.9703847 808.1326893 846.3792596 275.3015573 335.888256 338.110485 73.67261011 482.9583083 147.0308715 444.5716612 332.3046131 228.9017404 141.1490252 217.8613321 341.9325689 429.8805494 142.6652361 417.0261306 74.78136848 779.9390511 203.8117672 130.1856314 723.45642 500.252369 76.01868535 796.770589 1448.524242 942.345659 565.5263918 364.8980538 222.3621082 293.7395309 268.0373409 701.2365742 652.6213398 947.2359423 727.0465174 1748.111905 148.1492074 89446.23182 257.7143278 Lipoic 137 422.7319175 153.8814352 68.89793632 142.4603776 365.1300072 153.4309656 Phosphocreatine 79 1126.91053 303.5084855 977527.1011 383851.9949 334631.7659 77376.98167 84308.31575 530717.1884 36958.75314 316228.8148 98721.75794 69562.17963 121091.2001 222021.5895 8260.806504 29843.68564 51008.44204 167275.1813 51305.50872 165229.038 178925.5666 178670.3049 192863.1148 171644.9495 177305.9993 176110.7691 168626.3454 188595.6111 887.1964702 10087.04508 36474.99983 64376.70454 177086.2513 56198.42453 184658.4305 183046.5585 165446.5285 171729.4956 166439.4791 186562.5312 188892.1775 177301.1066 191855.3146 978.5013557 37260.7954 43854.72716 42513.70109 47650.70389 54550.76428 57053.52245 20965.46453 63149.51222 88319.43671 56851.68521 75913.14786 74268.35047 69401.94365 107307.1897 76087.2448 54114.60843 44992.53723 49467.91715 45937.55175 483.8690306 1233.054427 744.8725809 Deoxyuridine 111 371.5177354 373.395129 101029.0343 144894.2795 92846.73888 161166.3429 190356.5622 159848.9748 122802.8506 130788.714 139574.4474 141710.559 112380.9579 173911.6828 4482.473675 20397.44572 34261.59419 66667.5075 31365.44553 66239.62708 61347.4269 56716.10509 61535.43335 53941.29813 67859.10356 63052.15318 61868.13326 66038.41561 742.381944 5349.187506 20472.91338 26657.00402 71929.55632 24927.34025 62034.20567 62778.56287 61639.23559 68456.52027 63616.60894 66485.23329 69729.49245 63830.14322 74171.62871 247.1048965 67667.70743 120989.9896 132658.4807 77020.19312 110824.4678 95761.81193 64822.10468 85054.91152 105292.9541 120116.6363 89590.92348 137104.5608 82310.95693 152680.7025 145424.6456 84066.69579 85050.96484 116423.6042 87761.23722 738.6416917 894.9054235 377.3570859 Myristic PAR 45970.13787 58928.81138 2573123.939 1406660.728 2300500.285 2143395.279 2302412.507 1274281.477 3441206.597 978560.5392 2266046.627 1803543.793 1725674.187 1081462.322 41816.40093 130532.0457 312325.2136 675085.2424 156488.7688 521893.6157 483398.1983 460994.2992 508797.7638 426506.383 468821.6535 427150.4026 433690.3393 543651.2688 36857.96243 49921.38294 109409.4307 340414.9395 591264.6203 182582.7656 463356.2982 494095.2262 406437.1441 516246.9955 414504.9895 451741.2369 420974.5412 432778.9975 525986.689 26594.0953 657741.4595 332400.0963 484266.1747 704693.9356 464620.3331 418205.2354 499438.689 500311.1355 513156.884 781968.679 969139.3602 511824.4384 929502.1307 647920.4634 388739.1005 668047.6874 852409.1426 740594.774 887066.4196 60148.6413 65304.48889 51532.72783 Tartrazine 2- 211 2359.356745 6935.301417 2218.065348 584.2287684 2214.493254 2587.17966 661.748019 3231.275598 1155.119728 2391.447014 148.3290324 74.68185891 299.1078056 239.2148318 64.64027951 117.7199571 43.76325738 160.9630624 87.97566154 97.39440647 86.19242733 81.34304013 45.6875667 64.83968061 219.2735731 121.6262768 95.66663267 15.96460687 121.2837001 91.03833365 164.1798102 164.2382138 155.3550248 132.7765984 89.86130919 128.2933499 77.64207822 155.6313185 45.39309727 33.78050021 92.60293954 60.78800542 30.1125505 147.4721028 152.2114892 85.96886781 95.02347583 118.4600641 155.6511504 145.5018785 404.5996335 131.1612129 224.8684845 151.9675514 98.96974208 371.5695957 111.0893664 147.3621403 118.0383597 443.4640603 196.035065 188.9692432 383.6646044 180.1312117 64.18916294 97.52342988 HEPES 80 469.6942398 28239777.57 1111.155525 380.8945107 274.1642321 2309.059923 1926.55162 403.554219 774.1822494 783.62572 274.0353141 304.2817658 801.5334798 850.7460856 285.8865428 814.9839846 404.2338956 404.9480927 305.4025664 479.5377758 1151.625393 787.0131052 523.8754134 606.719483 269.231191 782.5973295 405.7428528 275.3292986 544.8064732 1185.394721 283.1608385 268.9274527 781.9175419 276.6320131 1097.954803 564.6123457 566.7958436 960.3690011 31139706.07 1126.507082 HEPES 107 791742.4855 395.1967923 389.7823875 289.8831479 283.3207651 383.4672601 281.304367 412.7353688 351.5065039 268.1569794 245.642405 382.6929092 273.2919245 547.8790178 391.733446 283.0146253 385.2442138 393.0977592 407.8107315 387.7153856 283.8792161 833537.8035 Cystine 120 16125.63648 5319503.835 2976677.372 948199.9568 3383332.812 169181.4876 195906.4728 396251.98 631771.8979 48964.33554 601174.5411 597503.5596 656774.8908 567302.4998 20373.87749 140837.5315 258089.4204 656034.0723 232776.4009 723678.5969 640716.7647 715161.472 738348.4204 707857.9485 717133.7504 671967.8649 689862.7726 821036.7133 12363.50572 33603.95832 191595.0145 288674.2158 796327.239 259900.6652 753371.5103 785820.4905 725386.4166 830413.8853 722259.0753 696956.119 860735.6153 685207.2241 750723.7891 12237.22217 449398.4015 347814.5675 204768.2509 365378.6245 411378.6059 417237.5592 159740.9599 707435.5779 540424.266 367490.3452 483119.4407 672776.8649 469603.0402 567738.0248 414281.5425 623897.6389 28248.31533 658079.1686 33272.30204 8603.638085 9294661.072 13949.87254 Cystine 74 2646.618466 1407302.757 814199.6001 249468.7264 882644.0495 34287.74428 50555.03225 101181.7283 179030.9801 18515.08444 167414.0009 165163.8207 172917.9155 146366.9546 7362.083627 43545.55681 73057.46233 152839.187 78638.29369 208597.8054 193915.7137 177169.1154 193248.928 208836.3759 185538.4311 178628.1205 179750.0352 241044.8049 3701.432744 8433.864428 40310.6861 71361.0927 225649.0582 78320.85761 209013.6531 203817.4505 229356.3086 220981.8999 226521.7373 205366.231 214992.397 181271.222 233253.2332 6345.541291 134614.0621 115657.9105 47890.25665 87804.76959 103793.4543 115555.0815 44987.68932 204033.4916 135104.8536 107914.8219 129654.7767 176251.6914 131528.6329 154226.7626 108410.7237 167206.9849 14640.16517 175618.9601 10974.67412 7768.585363 2409485.103 1924.484505 Uridine 111 1414.466872 814.1056836 412152.0138 748193.6501 739840.9318 1549534.347 4794793.627 2126986.243 4031442.431 1471675.874 6801141.697 1105581.723 5458682.994 430366.0136 105215.2003 534368.5498 910922.2953 2143093.989 730727.195 1974482.649 1913007.745 1929514.963 2051876.175 1876569.383 1938867.819 1891549.682 1898959.539 2016962.509 777.5912216 118988.3101 498354.185 788772.9205 1928124.362 689246.1505 2001872.461 1876460.727 1863024.464 1888732.019 1914043.074 1965041.855 1860266.472 1922306.045 2034878.88 203.0642942 3957199.437 3774141.636 4485143.128 1985817.648 2485979.486 3210758.757 4560786.553 1969817.372 1774850.401 6732447.304 5753715.388 2742458.23 4880370.028 798134.3235 6515877.402 4838816.276 3774092.043 5534884.086 3941238.174 296.7075532 512.244143 414.1137342 C75 209 7043.651204 4767.468068 29946.02226 7884.772825 9318.499775 14817.80604 13185.10491 7499.279074 6343.150616 7715.387527 8796.813319 17872.24108 10853.85187 15631.1971 3488.708801 4707.351693 6896.582653 13767.46207 5577.3098 20733.97566 18374.38784 12511.14894 14753.18771 14369.97467 12273.75519 16213.93539 9919.874136 10085.54477 2681.530962 2992.282867 2042.606557 2755.181719 12327.39719 5520.686541 18198.73773 13398.12143 8694.179631 15943.92169 12777.04699 13986.31243 10821.11821 14899.5809 14290.36221 9928.761593 5830.208237 9349.398162 5861.161168 8084.270722 9372.593131 10158.1647 4570.562153 7589.674473 13509.96816 21387.83478 9018.472874 10020.45219 9715.736963 4793.621328 9422.391161 9836.639218 11115.8585 14320.53919 8061.817649 5909.441155 6323.150949 7907.269751 Palmitoleic PAR 47450.75629 19168.21325 5170526.498 4449749.508 11067600.2 7155453.11 5816198.45 4623085.461 8597202.634 4245456.355 7289112.016 7353994.114 4034631.257 4036770.063 65344.92678 281285.5437 484278.8765 1034604.62 399874.8463 999809.6641 1032538.762 1039493.352 1000305.613 950051.5157 987655.2699 889469.7212 935565.5599 1046159.787 53408.01722 65993.616 276029.0403 406596.1194 957900.1784 377373.9167 988059.8332 964364.3772 883986.8601 1013242.578 943419.8001 986119.9938 933305.5097 959441.1164 1000420.826 46116.03917 3098780.734 1112701.665 1595221.6 2052190.07 1476931.742 1668206.151 1952941.729 1683668.529 1729388.387 3216335.244 4525027.232 2382673.256 3356768.428 2545314.741 1329051.189 2185281.508 2554443.046 2514825.558 2633319.692 56827.53501 39653.47923 63726.92993 Palmitic PAR 342556.8719 459863.7641 24991044.62 17085933.46 23953233.51 26984496.7 23405188.86 17476918.37 31092533.52 14372993.83 25629716.55 23739254.25 18370286.84 18663954.05 317746.5853 2848721.71 4071418.582 7960712.713 3276782.821 7503407.476 7485050.533 7503164.474 7378488.336 7159048.497 7411453.742 7122035.375 7328727.442 7707997.754 285238.5458 683211.3834 2496546.393 3548041.643 7979096.854 3164369.646 7666000.672 6988650.902 6927956.499 7337977.704 7228436.239 7298178.535 7029757.934 7397192.781 7522545.48 282348.2778 8983699.309 5852954.641 6666230.168 7692379.061 6679391.348 6857138.843 6784651.046 8568750.675 7812727.001 13398967.84 13956926.42 7863632.469 10262751.95 8093453.226 7586373.345 7910557.143 10617772.93 9433465.254 11332520.17 362958.0078 549099.7321 429848.3754 Glucose 1-phosphate 79 520.0880085 311814.9726 103213.8745 216732.037 103650.8747 35504.91466 30547.1399 13465.21656 27658.72724 64728.98469 32884.60442 130550.4053 27460.72237 4189.931791 20067.72084 49908.90341 125642.0019 40099.45337 130496.6321 124355.098 135676.1492 57032.94883 125323.6988 114079.6412 115240.0068 130062.6699 72093.0659 1679.675862 14089.48125 23926.23569 27449.95524 123954.919 41082.54139 122009.2686 111212.0803 127508.8509 135234.5318 117404.1924 115413.2825 123224.9243 122821.7609 132929.1755 617.3063233 73385.11535 111371.1665 34190.18407 8675.636002 28795.72411 22676.91783 310475.3437 104721.6274 112653.6328 367347.828 97250.0819 48693.44476 44390.84884 72164.32219 64887.61354 525464.0602 108837.7335 571531.8134 115027.1549 1455.742393 3017.450754 Glucose 1-phosphate 151 579.9503036 3701.388756 1434.891687 2026.987767 1572.37381 1718.690716 1450.62766 1092.632509 686.1690884 3161.049214 302.2192931 294.7955632 300.9365433 135.1679562 301.1825706 202.809028 805.7701521 1382.564814 403.7849598 1109.27214 393.6635336 309.0107063 265.5291542 814.4976516 194.8485339 498.4783865 696.359069 296.7831197 383.0955435 574.9208336 837.4452732 1470.233014 1287.387037 165.6084961 1330.371688 812.9956417 608.192911 1020.208862 1210.740951 1193.525696 599.4131573 691.4168022 298.133752 4276.494565 507.7807233 494.3142035 5438.413446 2335.585287 1178.136967 543.2979556 1617.385935 3642.821313 2394.647932 4705.943917 3307.640372 572.7468496 286.2626834 191.7952286 Glucose 6-phosphate 97 2800.084082 796.4145287 1267200.815 329522.9526 1061262.481 582792.9263 845933.7815 328249.4788 66575.87961 50667.65854 18031.03382 33807.17438 62580.06456 123319.8879 342275.5115 102297.3439 344893.0612 330448.5131 305216.6301 323329.8571 336305.3208 319082.2362 329032.5071 317892.9885 352921.0745 16020.41708 26066.76783 57133.3524 130779.5613 355120.4241 86806.93426 326378.9776 323452.0049 315235.5372 330887.381 319261.0828 322350.7177 304104.3292 334658.7106 338416.6318 13423.64231 297524.6733 375316.8907 227492.8135 58602.05208 80624.55871 87269.63054 50055.90318 225655.0577 4306.664492 149605.2701 50881.45733 58947.0377 27716.28899 11926.44048 6199.124579 Glucose 6-phosphate 139 71443.41573 6221.655248 62333.89953 27249.73175 49518.99524 9824.453702 10094.95932 13958.52643 5163.628314 9453.423484 12718.6566 3202.164361 12158.29123 4735.487647 8329.42062 7976.807303 10247.22986 9866.469888 3357.315384 14020.06944 1294.337677 8742.750526 7283.95354 Stearic PAR 29890.84453 71994.10502 1032626.322 537189.8186 651096.2266 925944.0913 780983.1399 630912.9 856950.8611 446113.4942 1390458.523 654104.0842 689128.5934 697463.7286 43192.66237 178407.4489 241835.3795 313006.5203 183241.3416 296083.4015 304329.7895 304200.1212 281908.8636 258757.8406 293543.7007 268948.712 298617.0169 359623.1292 26970.38898 35711.90463 138081.3975 209535.0977 340329.8959 185711.5367 297182.3073 284133.8508 259259.1642 305548.6301 290285.4004 299553.3976 294288.1108 290702.006 322166.2624 23404.89211 752798.3397 288619.7843 476713.8426 389001.2221 552940.4745 520563.293 588241.3671 569671.9334 467246.0354 913309.7699 783591.4621 541068.7716 424053.4158 521276.8787 452491.068 477475.7797 586515.6416 591431.0279 625452.6486 24739.21061 44364.75546 38720.40195 Xanthosine 151 307.6357608 430.9751941 145070.2331 59040.85178 201557.4475 253540.6384 1122125.226 589403.4719 1712873.232 151212.6491 5379252.071 124886.3627 1582734.752 38721.5647 23098.49161 143553.203 245856.2527 3755.244056 230014.1788 1321.711934 4931.320876 18806.1212 818.471855 3173.764678 4895.380782 3199.65927 5663.75781 1627.045993 666.6726346 29530.28809 131301.2191 245426.642 16558.74597 207153.3863 3338.103833 5071.582173 3585.322233 2122.360395 3981.07016 608.3640053 7833.630866 518.1719276 3728167.144 2726106.498 5084293.653 694652.2944 1181305.654 1919856.104 3220835.516 633600.5822 423670.716 4471683.415 3717472.686 451670.3839 3251380.246 109498.6244 2013641.601 1352482.707 845659.7144 1533065.565 896253.4737 407.9038014 714.6082748 194.745382 EDTA 273 16568.05738 2402.452307 95564794.94 96936388.19 103701792.5 46427068.57 32491112.54 37833184.91 36244884.33 39155896.5 42923347.66 43189949.79 44446590.16 58564230.77 3078366.949 16698326.05 20212751.92 44879284.05 17299989.05 41682474.94 45502278.36 45044452.83 39563774.43 45358412.11 39761647.83 42887298.05 42076637.4 51168428.35 6142.635556 3672797.628 12318216.97 20136047.55 38777407.57 15673199.71 38520349.65 44669555.99 37463637.32 41833212.58 41704034.97 41554045.05 41029613.22 43056077.74 41951817.12 6377.197999 52549881.63 45719440.45 44546839.8 27236403.62 36884377.32 50651764.28 60876010.19 52342225.86 48390945.91 66788308.98 66552017.69 56575840.62 60335113.04 53130240.85 65232645.67 56686953.4 51781815.75 67389166.3 52343335.43 16019.56979 7553.109375 7664.427696 Mevalonate pyrophosphate 79 2200.017909 870.0904994 5831.021902 2808.445611 4364.087882 5251.670141 4663.415574 317.4775346 1510.6819 3681.327487 2149.243031 1875.685587 2673.687135 4076.036846 1084.12001 2724.789355 1171.994199 8131.42211 2828.704038 14101.16626 13207.70399 15944.21719 11992.32901 18418.81332 13292.22042 11136.45128 17212.77395 12556.52042 892.7529381 627.8888732 1767.292897 2343.797227 6635.447798 1843.448265 18406.80899 11792.68419 19347.88113 4791.415254 11764.34927 18981.18894 10836.50668 13728.92275 22393.98184 836.273636 5800.986184 2347.523073 1865.039184 1771.704452 864.0779721 1678.67722 2514.837238 1570.467968 2537.627135 2763.048177 1939.042558 4215.214242 5705.521053 1936.94615 2517.963555 4614.708358 2881.667791 4981.647912 2775.715928 963.141658 1182.039552 924.1137239 Penicillin G 289 4939.556802 4939.145257 1032.254792 990.0991839 512.0788346 1533.418829 498.9733447 1420.159643 1979.968803 2502.550332 1530.866317 4241.478829 3002.665969 961.8850274 2473.039469 4395.308057 2012.041828 4394.531609 4939.895419 2915.403885 5269.258982 5419.787833 2916.284945 2395.033061 4361.207427 5875.026636 3932.987964 2907.339496 1485.493063 1437.429922 1487.350783 3911.569927 2444.977709 980.7361374 4015.132932 4404.990067 9296.185578 5893.564142 4399.519473 1345.657881 3411.829127 1995.317376 1495.306916 2037.616516 1438.635842 3954.112392 1025.952785 1023.809474 511.2081314 1029.310649 497.975207 507.7701848 983.0114257 506.0487911 1481.372938 1994.263496 493.7429399 977.5714963 4505.095496 2436.379903 Fasnall 178 54.74853728 400.0933841 2994.251014 94.95874132 4161.688962 582.0944822 464.7508885 246.8173501 487.0549079 52.44991876 285.5098913 97.27902986 187.2690573 243.8213327 109.2675573 415.2896003 188.1387637 271.1860476 1346.481919 1588.51967 3918.495472 3022.061835 15298.70092 30413.15794 72815.29749 145110.6884 359119.7497 831051.1192 252.3615491 102.6717925 105.0230275 543.7808952 197.8718361 576.4284241 1842.136135 2524.386141 5830.766806 8027.509877 19381.50416 43507.83362 138279.4766 362034.762 822633.7234 358.0936337 1923.444236 52.55085077 160.4038359 544.9871161 335.5646841 805.4951487 1208.853112 1508.435724 233.3576639 1339.030129 1421.09405 1385.424924 469.2914598 4056.770863 4307.711236 3647.40164 3990.122949 6342.635017 3242.973134 54.16834697 444.8946287 Fructose-1,6-bisphosphate 97 961.4921973 654.0662597 1909.125641 341.6577802 546.9956732 331.5563981 226.1401276 443.6127126 786.170498 569.7584858 555.0274846 332.7697766 460.6228361 452.4728044 1530.510474 1217.036505 1042.378522 1094.177768 1001.975937 1616.440255 1096.218951 1651.740421 1122.508189 2131.743412 1364.282452 2293.970774 690.9879279 1698.335129 1125.96441 638.7630553 887.0861693 649.0714215 1454.878453 927.2029263 2371.848032 619.1073319 572.889447 1598.950539 2146.484196 570.2440878 818.7144571 965.5130027 893.5587235 1290.768358 112.9949906 116.5663111 444.7220646 115.8592736 563.5102726 1117.283086 688.8538376 1020.095242 805.6166031 352.4267797 341.7772522 443.0793979 1173.197751 573.1713807 351.2655019 3085.455911 622.7098826 3474.958026 797.1717264 558.4624252 2529.97682 1054.62073 Fructose-1,6-bisphosphate 177 Cellobiose 161 29711.21338 265988.3395 479175.8663 100371.4338 115696.0053 33337.63941 46272.818 103890.4407 50969.44273 94158.42411 34822.3601 30178.69388 59014.54565 94161.0963 122827.2767 120158.9676 45054.55693 92822.56279 134904.3169 139251.0088 152774.2234 158594.0294 144895.1896 71761.35438 149121.1484 157035.916 153339.2915 151387.5818 73812.03899 125063.8583 170661.6911 133245.7745 159186.0855 148620.638 80854.22003 141483.9273 173802.3404 138533.9284 164375.4232 173316.9389 150336.7253 138777.7265 165432.6342 19962.01222 57143.69395 12625.61728 35912.47744 31973.84892 44822.31608 48927.16394 1183361.593 57028.50084 53563.70994 735983.8733 95310.62129 67043.77302 76208.44584 109696.553 173465.891 1232094.423 139392.9851 1366100.233 235209.3685 33240.38332 328191.1678 24013.42254 Sucrose 89 17958.78696 4857.41031 15375.14226 12382.59705 12703.55726 52826.27352 34483.51922 32234.21022 13615.36636 17445.19088 7610.704376 6096.75968 22763.75484 14225.21652 3528.143036 15915.10052 19074.66414 20031.0397 24740.47726 39837.70426 90512.93754 104728.2958 164881.3185 24429.46713 35445.08366 42729.89008 41528.64842 40381.05189 44592.25978 32879.65789 53305.83525 28075.96572 34441.21821 35037.09609 45484.82666 76921.51615 115647.3521 156963.4095 38301.32905 24779.49502 43829.17631 25932.48031 45860.5428 14191.19156 10865.89256 18485.29248 30900.90957 7336.210137 12746.16724 13593.07944 272977.5066 23708.81784 21530.30879 166530.7082 24670.52678 22343.74528 15952.50358 19290.33679 40767.46804 274563.2123 37050.01637 295175.715 46652.6302 6717.192895 2565.12849 19442.58083 Trehalose 59 23818.74137 45490.85576 31330.37006 13785.8686 13175.31539 5509.24771 4234.284204 5655.985786 14171.62976 23098.48335 5028.019005 7463.487199 9788.276949 6934.430809 30798.03386 19465.95926 24144.11671 8336.561523 32990.23873 20491.35169 17278.76158 15543.46738 3212.074269 16513.91692 11752.02039 22265.63937 41240.86896 15353.18475 9735.032698 33452.79602 18244.16769 15441.39402 23342.62618 4903.925893 10356.79953 13433.52354 27399.82798 17429.29129 16730.13308 30114.03805 49796.62402 14907.97125 22880.00107 14133.17343 15067.02653 3573.097102 17412.74669 9829.403338 2627.197008 10783.98107 115169.911 9547.255026 10924.04825 42993.44842 13315.8745 7391.828132 12780.451 9191.818935 21681.72077 105042.6951 33908.43747 139819.3661 32051.39278 15575.36411 58530.18671 13879.10636 AMP 79 1929.552885 1567.946185 681295.2179 855744.3706 684302.7437 1527283.961 1370636.362 727697.058 70557.3283 801631.8471 618155.8676 252465.2889 1254637.207 513726.7434 46283.45694 213032.0466 359239.419 981087.78 318651.3843 955598.622 897035.2822 844464.1212 856630.4877 864277.5527 886470.2114 836422.9983 832939.1266 903316.9619 7485.012083 51571.35174 190174.1914 326054.9054 820614.3691 292799.2641 816805.8189 800466.9671 783956.5626 800827.8677 768893.2378 771289.2491 804161.246 834321.2405 911967.0451 4496.259035 417853.4499 245747.2751 232558.6497 242880.3698 286715.2644 84682.61488 1762007.718 1078433.941 1540538.309 1310838.285 658463.421 256788.7932 111120.0887 184475.1668 365896.1777 2046039.511 1855226.404 2428931.994 1934473.655 12923.29221 1921.070985 2773.247195 AMP 193 25390.81435 36263.59374 31170.38381 73016.03295 66378.2769 37304.86247 3230.933215 30773.55793 22467.81232 6049.623221 53606.02192 29582.98264 542.3575779 13569.80925 13465.26793 46248.45943 10766.95168 47289.6818 39632.72458 44119.06126 45156.7644 42967.68045 37159.88765 42028.62164 34464.41796 43338.75581 453.1015257 4167.642588 4569.281035 37867.45811 13237.56367 35993.39932 37435.80301 33966.96352 32108.70744 38014.68106 38201.16746 34682.25978 33523.37482 42519.30741 19787.45368 13788.02247 9919.431125 6392.675649 12606.91954 2039.067832 77815.95959 52261.08018 74685.38256 63974.78056 35093.45539 13867.59729 1010.364751 6985.372911 15754.82927 108646.6198 95711.22365 123865.1081 98438.12355 IMP 79 914.0082577 365.0436169 69652.04428 106737.389 81445.8677 176257.8229 160872.2483 85747.3715 11255.3202 94956.03764 69576.18285 32100.78374 132113.0436 60191.3393 4738.655272 27458.57066 41267.49203 113551.0742 42283.38712 115121.7105 112775.2699 97627.96457 110768.5063 101264.9976 100364.3739 102784.3546 99989.0937 111587.6903 1164.909085 7736.912624 21133.35154 39609.54756 103239.8852 34727.15808 98485.76845 90708.86419 104903.4978 97671.96609 97987.21224 96117.48475 98812.90001 92991.07327 97713.31975 3095.286849 48629.43617 30167.07153 30474.89417 32927.39873 39961.05746 12481.02142 204440.7987 127944.0181 161777.3673 167147.4269 73422.42746 34331.16834 13963.16481 22924.44228 47510.85248 242320.955 228427.6607 275772.513 225324.1317 2825.70646 1031.954738 1874.85266 Phenol Red 93 5373055.507 630.6373664 674.5060751 316.5496288 324.2301814 624.413583 1455.009362 299.3201283 336.158162 311.2556525 313.2028315 603.7707177 662.0803059 569.1911594 308.5415059 329.7034378 329.201417 332.5427373 1145.370063 648.5544081 1007.327879 333.1895829 340.5958789 575.8501401 879.1440168 1216.223066 332.1685051 920.9707877 331.8730096 337.8780539 684.9823202 285.4537234 678.218704 2551.145931 6354252.862 658.062077 Phenol Red 195 4543227.283 5531985.329 GMP 79 2049.441475 2403.264465 76590.72749 81794.51192 86668.47992 220342.5632 113505.8716 33635.97689 5196.577597 5643.993236 34042.33869 12195.13629 23226.63827 22477.43319 9613.602386 25142.13699 42205.60146 105679.5953 28617.04206 106073.2184 105346.0452 107368.7067 105596.8907 101168.3409 113383.894 106222.8182 99855.30023 116661.8467 4422.263552 15077.88847 19210.2641 31064.62892 95628.51171 28563.09074 103021.0051 93270.00631 93425.15029 98324.0808 93958.66145 102908.4093 107287.1384 112915.2758 116473.2741 5418.345346 52077.3546 24994.59307 26280.80003 19787.63612 20338.28598 5255.909314 89927.15726 78468.05385 89823.22326 91700.50893 42936.50065 14375.02351 8068.440133 11915.39141 25077.31819 119053.6464 30658.41174 135117.1978 37004.05132 3121.988907 6685.717227 1735.53975 FAICAR 79 2004.066037 1001.596514 15219.47079 4991.500761 7764.137985 3037.210725 1205.301553 937.8031709 112.3265383 172.0729011 384.3634877 266.412583 193.2573094 717.1979007 1721.722979 3031.933996 3939.033451 6297.030939 2760.640856 11798.9111 18848.66692 19736.47283 18806.45833 11218.61611 19695.82378 8975.62586 24669.39202 10020.23616 4678.281408 1404.913377 3117.499023 3314.51369 10144.80413 4985.04959 17317.33529 12597.32128 17293.51321 16067.67142 12830.50833 11678.44926 16904.30265 9448.837898 21835.06127 3061.363774 3637.781641 3998.203291 4192.526006 174.1286378 244.833339 344.712432 184.5624621 457.5426159 105.8922096 1162.598143 628.4759751 141.1930236 228.6964808 277.436329 1336.690566 817.2616589 445.4340128 451.2893441 261.679278 3735.598032 2112.037424 3975.998329 Riboflavin 243 256.0459965 2378.759455 131.5027547 389.7844679 130.4060806 255.9254537 128.9509058 128.9126342 517.2390222 259.9262794 119.4242718 775.2701849 1485.869772 381.1417759 128.4863139 259.9776651 500.4886509 249.3239336 263.8205187 129.504722 397.3005703 250.7659633 515.5120208 377.0978161 514.4116749 268.1892075 128.4051713 129.8363859 259.9135447 248.0935249 127.2493389 130.4763423 130.755119 648.8087791 391.5517375 130.0858831 261.0028092 380.178971 131.4126739 128.3675262 260.3063506 126.253848 261.8918327 127.7982322 523.9304576 384.1331342 1501.388298 CDP 1784.111409 806.8596307 14376.07451 13961.68053 18778.21579 21722.87315 8300.139974 7788.750685 754.0282911 1009.658279 1571.132034 1284.546291 3931.973989 1221.084215 3149.943385 988.6545047 4228.797869 18155.41997 5543.096648 7262.810277 7940.243236 11964.45634 17341.39427 7856.983142 4060.453667 5256.743596 10637.88198 5196.05005 1922.932384 851.5089678 1225.574939 1749.674701 11919.61544 3072.436634 11839.66612 3038.173063 7073.556705 13365.00256 11094.23176 4322.753809 3357.770679 1250.374932 4919.357456 1442.670824 3515.716985 2480.789638 2314.286119 430.2641517 657.9155617 648.6256049 3867.987833 1067.683522 2510.921175 2208.552773 1064.396667 638.3399625 927.2385277 875.2228981 920.5594246 6282.311111 533.7940603 4763.79192 556.0810066 2163.530785 4337.921233 2070.156372 UDP 111 70.76334241 264.0487566 5636.666308 3284.048921 8977.261035 12934.32479 3496.222764 2750.661363 547.6815358 1254.81016 315.2714174 1111.079726 2749.313266 1927.543844 548.6225465 1233.577091 2024.153501 6003.629248 2142.14316 7166.80261 9138.386246 6891.661382 9180.22027 5002.776828 6801.159837 6617.543338 9988.18939 9455.610674 856.004019 856.3710746 1305.15698 1141.432649 6872.248605 1264.047908 7458.747888 6893.811803 8664.419013 9294.454356 6339.363018 7839.52424 7539.079695 7536.856916 10349.02001 391.9925938 4451.867722 2603.20742 1577.508493 3146.892893 1481.399987 2111.624332 2543.161902 3401.355568 2715.846435 3111.881556 3068.990682 1867.997632 1494.290685 971.084019 1695.093421 3130.223364 1265.231173 5452.808664 1146.177654 589.725608 294.0835361 269.2654549 UDP 79 2859.3214 2894.817745 63632.52855 61554.38487 70238.41361 89111.71538 26217.1413 20173.06711 3323.556134 735.6733749 5771.842441 10576.49993 16219.43768 10799.78588 6973.020183 24287.03834 18573.98152 87982.08595 30320.45859 81903.46269 93504.43112 94668.76322 94530.17639 89371.62575 94272.58956 78479.33474 97719.32011 91029.09806 3866.843785 8608.497792 5184.960539 11809.20173 86278.35402 25417.06884 77058.73587 70441.05676 79332.98168 90131.53753 77523.55672 88779.74228 88763.66246 88545.63538 96319.90541 9828.444372 42486.7473 36569.53633 20961.04057 9147.447655 13244.29549 4595.259947 28999.63533 26509.42565 21345.45079 21604.13868 21530.90903 11331.49457 4938.774952 7736.844984 12778.27595 39604.07714 1106.817874 40087.27264 1427.213131 3164.585076 5724.581364 2226.541305 Cholic 343 66.94219502 88.86456815 744264.9747 77615.32959 14787.43089 513126.9319 18382.67386 81697.14281 16893.66372 12016.06992 726781.9625 7358.461037 131649.5848 16798.1127 407.6413694 1526.106995 1902.639589 1793.161152 797.9019155 2144.227084 3384.198938 2506.254254 1962.828954 3991.696589 1434.993874 1812.431529 2063.195023 2722.969762 247.50236 257.7009681 883.092201 603.2286916 1885.422088 885.676617 3208.747437 1778.533393 1253.407311 2086.487481 1687.962944 1523.79945 2062.236629 2662.27897 3662.379324 172.3284442 1110661.509 19457.77027 13451.79657 26389.38439 42559.97962 13104.63759 543071.4605 9382.542047 5135.856468 113499.7838 393714.3911 1164.060825 35427.80053 20102.08459 10214.5037 17290.84435 8129.639792 19461.98534 7469.1581 96.28554118 440.5693399 174.1002944 dGDP 79 3615.856117 4932.714105 705254.7357 387432.1245 259837.8393 466211.0844 146361.7561 236770.9041 58999.96065 24393.82315 139436.7784 194137.8203 397822.3514 344492.4533 69931.7108 201763.6265 386088.8671 1254909.61 368875.3546 1351877.129 1363389.269 1405099.518 1308324.238 1415410.634 1374965.035 1311936.465 1347353.545 1459314.174 32042.81072 70276.48131 218304.4721 367272.4621 1296994.29 370521.607 1406827.254 1483192.686 1297638.035 1317035.609 1356875.189 1191577.823 1378492.85 1328439.172 1446239.483 45808.52702 423289.4831 206826.9694 93628.02617 192266.7762 385863.6037 124177.0434 545889.9858 1031754.224 767028.7626 244493.0477 721181.2186 234073.2791 135287.0496 190595.4255 391783.6812 806312.702 26528.69804 919901.632 35749.44597 11761.8052 19301.83736 11097.76449 Pemetrexed 297 991.0224542 695.8918798 385.5379044 380.9522136 390.0450289 386.2946366 351.2944445 693.3534985 508.5954157 403.2741594 1156.331245 1488.602427 1046.103655 1540.378828 1152.320248 322.3549047 401.5578349 367.3410351 401.5796206 639.4428582 369.4863058 814.6516533 327.056872 702.452823 342.5778968 393.7146345 812.1474909 341.3648741 1231.758359 Pemetrexed 321 Folic 311 2120.807215 1415868.981 324.2062502 794.5108677 158.5573144 447.9732747 1081.086132 828.0727042 807.0743567 316.688879 589.2268156 641.777136 1023.929996 622.6876232 159.1450641 319.7370041 800.5141364 322.6710039 320.7800402 690.3165381 622.3590086 303.0223592 285.5167829 323.7199646 455.4989773 460.3922379 623.0522657 657.6405918 348.5668627 1069.714737 322.1526344 153.8462894 312.7555924 158.9851504 317.6542333 486.7727788 315.7001155 600.9044882 787.1716965 1471.557035 296.7641911 766.9810401 203.9449114 166.6549856 960.5655232 312.8797276 313.2555095 441.9811486 452.8595834 371.5692446 459.3537991 655.0966191 159.397139 468.2384564 1044.996576 2093306.818 317.1169779 UTP 79 1359.640813 1038.479632 6427.336969 22686.09743 5690.693721 15313.53329 6656.935763 8503.994873 8406.716344 1237.058759 12015.39276 6669.952349 16143.22849 1495.392543 4772.086557 14010.20042 44109.53254 20168.16224 42829.73177 46579.20924 52003.53165 36208.38616 44614.40748 41121.54705 46284.98358 26626.13887 50311.06656 1658.943973 3377.083824 8458.735628 12805.4176 42525.68764 11930.69656 44956.75875 43418.00308 54613.20118 49901.32841 42486.3008 50262.96864 49286.95465 42951.80904 49479.78463 1339.540491 32662.29187 20565.27822 14744.93581 13202.1585 24742.66551 11703.39982 4913.575573 27296.67195 24771.2618 8311.934086 38164.74979 13084.27994 6441.702989 8443.988477 14782.47977 17570.86727 962.1256682 12544.91664 1936.676676 2962.357879 2680.36805 2464.57075 UDP-glucose 323 284.5378912 281.4451389 223385.9964 192341.357 106750.7264 468374.4899 76969.73602 45694.51036 13523.35209 2889.841045 87980.63789 29717.25249 85915.79447 55487.92201 5292.488288 12939.78224 25979.16681 69404.52288 26990.17713 69038.41942 75465.43441 74218.86612 63840.98342 62648.27822 69757.14445 68170.94675 65423.75105 71503.76075 189.6842788 3118.984776 14981.11268 25609.66556 74420.97067 20600.98737 65654.1877 64575.04898 65711.31001 69893.43802 67291.73963 67272.9249 67422.20124 63928.22661 76028.96289 186.0168534 102132.1573 42311.39264 31938.74052 10051.96096 17730.44623 8237.769386 284639.4743 80294.13512 75305.41346 225435.5684 55218.64064 18863.25585 17546.0946 60382.05896 33547.5649 248234.1085 7143.618796 278058.3449 8815.782476 500.4314978 185.1505983 90.58099444 UDP-glucose 273 11769.86107 8225.651933 7860.538402 33981.22162 7098.251521 2774.889064 556.4610096 463.112986 5011.137315 2104.656194 7268.358347 4526.866872 557.7165345 582.0702962 1771.345819 3647.569314 1879.465876 3078.321013 3806.931551 4518.498569 6312.559097 3753.71807 2238.44832 5446.813451 5281.902722 5484.46872 473.1158298 115.7077786 4306.795979 1318.219026 5698.42504 5926.853205 3573.673084 3693.846016 4707.623191 4611.359501 4823.057111 3964.40088 5666.058825 93.70913566 4771.850934 2716.419145 3562.244442 185.8511689 1644.344033 862.1682924 18752.30218 6320.186937 4289.831946 17566.88628 3097.745546 1093.008644 365.6882504 4575.806835 2526.635737 15128.09626 1956.833118 17316.50817 643.9767158 UDP-N-acetyl-D-glucosamine 79 723.0619854 207.8727739 95477.91225 27373.71623 20152.06973 66731.44414 57836.81831 53485.69062 9745.151197 38646.78972 79424.63534 16255.58037 58103.12015 27436.54942 2489.304675 6962.090413 13140.13018 25379.17966 9627.554086 31882.45404 29114.97569 26648.55885 24168.6076 25786.57072 24256.68449 29953.98654 33098.4416 27547.20365 1917.310309 1506.470729 9390.429859 11220.98516 28958.63179 7456.404257 25383.25743 29329.96609 30097.91849 25790.92004 31821.73096 27275.11088 36599.69103 32727.98076 27439.65611 2095.107752 15152.39842 8113.222075 8673.588917 5503.114259 8916.134431 5486.914245 131387.2647 35016.90817 44084.97384 128657.9629 20943.08345 8765.803939 2617.334522 14142.8957 11709.24321 139333.0598 82945.30822 158445.7025 85214.20655 821.8814031 775.2989674 1898.910945 GSSG 306 14354.56568 10675.04401 477480.0369 1240835.75 597856.4727 5091818.776 1539026.573 879496.4734 834846.5292 28142.62805 2877460.863 360911.6094 788708.307 440349.6562 105387.569 394164.5761 608829.0227 2074803.451 574754.0414 1965370.359 1975820.098 1866698.582 1898421.848 1863260.879 1914012.432 1870286.019 1842950.828 1940174.515 85575.46248 125471.9289 315236.4138 550418.3435 1848096.068 489656.5729 1841299.804 1850128.653 1735733.302 1782205.358 1757657.535 1750946.014 1764659.034 1780465.857 1853819.14 79021.51333 3719145.419 2370783.829 2785780.136 369379.8201 603241.9057 1078872.621 2102589.136 744734.6595 937379.6427 3236504.861 1816462.044 548273.6369 953267.6285 494249.5806 1713573.484 2368114.295 47122.29033 2511479.354 58015.27007 40027.14937 28837.80101 29270.2175 GSSG 179 812.765053 196.2678358 45740.64594 114561.6173 52559.16409 419447.6786 142756.5605 51227.40094 72548.81471 2046.082895 227944.4359 23890.25417 55381.14048 22150.38387 9860.069346 33012.80209 58906.0264 180005.2162 44860.80459 185254.7316 183382.3317 172446.3046 182364.0041 174311.3708 174094.765 165095.0144 174360.2144 180379.3593 6863.957569 11686.35494 25550.56523 47845.46867 169710.6067 48130.91953 165421.9079 170717.2872 168267.1104 180140.3788 160499.9185 169623.0043 161100.0913 158468.0281 170627.8823 7860.950344 347386.3606 228147.4566 251399.8433 32707.14232 51074.4866 86599.77401 192663.4097 57683.45159 72920.79913 278012.7187 163330.0593 46932.89364 103505.8662 37514.70602 140874.2969 205187.7102 2861.642865 176781.321 3598.291984 3763.986513 1866.041287 1806.086779 NAD+ 540 60983.04718 15870.90255 24362.51343 77615.30459 22707.7835 27058.72594 3564.131158 86091.63776 16953.93062 10108.36611 51409.15673 15850.00125 523.6028705 387.727015 1531.075754 2800.13654 700.832513 2558.092513 3765.659445 2150.094385 1907.264393 2880.947385 4289.455937 2880.031813 4404.578165 2576.840146 620.6171449 609.2520914 1548.092078 1071.269611 926.530367 2218.661164 3736.025898 2449.13532 2866.812902 845.0335568 2352.340513 1250.037595 1899.12301 1812.993362 293.4284933 15462.20074 3360.684612 7164.843904 7247.529598 6926.396468 1389.155283 104493.0527 31793.27089 20123.86474 43174.61218 12866.36617 4025.219315 4990.913609 9277.740234 4541.594241 98555.93642 120108.5962 91262.60326 118410.9854 484.7769307 94.59600131 365.8553174 NAD+ 273 4991.632923 1828.260871 3822.32379 2205.69236 1113.361084 8102.750575 4590.362566 713.6021878 936.4433486 13048.51026 1936.91968 2663.349999 4100.138203 8629.22999 12628.40119 15036.45331 16461.91555 NADH 408 159.5961375 117.3178299 3795.760528 944.5520333 1471.200782 2597.906105 1323.522321 776.3066221 340.8757761 1543.62929 2074.14048 501.4120871 3931.332625 192.354162 503.976026 92.33913414 104.2787267 129.125796 422.6962552 209.7252187 95.44038989 104.5418339 212.2651486 527.7016284 105.1495749 389.6873663 191.5502885 203.613489 391.7565272 623.8675066 315.6954876 204.6391988 580.9177673 106.8339679 527.2609029 196.5353089 627.1152267 505.8252466 80.36634454 729.6182228 683.989685 106.1088977 121.6234083 108.1752327 187.6736318 8495.226838 644.1875484 486.2717502 2306.316907 97.56642445 100.9525293 384.7644421 482.4105225 483.7284538 8161.608133 9036.531912 5918.232096 7552.256492 163.266881 100.8690468 90.84029267 NADH 335 513.9850028 243.0199716 NADP+ 620 183.834168 662.805416 11651.40749 4853.619313 7823.532509 34737.59233 4232.892617 3751.121509 485.4523415 3498.82028 1687.042985 876.1422306 2793.550246 734.5147127 768.70589 268.2336779 598.7858486 785.0612851 330.3746966 459.4821613 334.1615418 597.36523 418.5271405 964.144171 529.1222044 1321.548352 855.8962263 158.4119092 78.86425772 218.4010795 560.5184696 476.1417678 508.0694596 297.4441217 87.87986831 241.1894552 76.87887468 294.1752085 177.988405 593.3577239 492.3578277 541.8221101 882.6044779 604.0186295 3508.223317 781.5736404 556.6990595 993.40365 420.4489545 5255.681592 1508.708361 1034.544231 3593.67396 1217.750522 365.6168344 359.5020167 623.2692214 457.1806792 6246.120222 2242.483391 1782.989399 2305.08229 474.9780855 68.26444106 285.6659456 NADP+ 134 149.3068593 155.9951928 687.8087166 151.4136763 153.283079 90.23400326 324.7581294 33.46291142 NADP+ 408 1959.092872 576.1265664 2705.1037 8344.442939 299.5946337 63.32212949 123.123305 254.9226567 205.0935139 82.23772032 57.67786412 254.9140767 119.2516458 132.1271587 787.3726472 69.75638013 1360.274534 635.0767161 46.99523339 15.87494856 47.88160804 NADPH 408 141.2082066 112.6236569 588.5329164 496.8291101 381.7225109 1295.711748 799.7371933 622.8904808 71.17718034 804.8302905 728.7931733 60.16155938 246.4030976 427.6731078 410.9021433 169.1836928 246.8062525 73.88753871 67.55797337 252.3864629 124.1096164 223.2552802 181.9256428 187.278626 380.1731421 188.7516818 197.3342366 128.1381773 252.0492842 71.94585635 61.42088077 124.3403607 431.1302844 149.762614 255.8899369 480.8579313 66.36758582 449.1762848 137.3294927 169.7751549 123.0750843 191.3221502 73.51852036 1859.495246 159.5051636 1434.560516 278.3031571 62.23689696 181.4892001 609.6644025 617.5861443 1462.279278 291.2554391 1459.661232 1050.216196 181.7545645 596.3987011 330.6679994 NADPH 328 63.68424028 63.20735561 342.2774161 22.89700572 21.4482102 60.10454139 203.2341561 68.3904193 Coenzyme A 79 904.8154782 745.7676974 635.6382533 2406.292261 762.9885902 2474.819395 1106.748087 1441.943138 727.8456049 1513.210102 3456.427471 507.3082852 2245.216259 867.8480203 2852.171237 846.327245 1061.419049 220.2751423 980.476987 334.1032639 317.8629555 995.8198873 446.7833564 445.6471401 445.5023952 882.9558359 334.5315807 558.9631621 1928.556931 771.3957984 489.2018351 212.6515604 1425.746588 316.8887701 657.8692386 107.9541995 1233.88661 556.7627139 441.9519653 769.2153836 1448.736342 894.6099095 392.3998838 1886.503614 305.870095 324.543114 98.41552475 772.1134302 773.0510399 7434.249424 2117.503123 2117.357287 5826.719971 1240.786558 323.8691022 115.1386095 1380.449285 1339.2558 4602.531667 5226.526523 5991.619547 3785.17299 752.0498094 319.8968758 933.2585059 Coenzyme A 408 221.5528979 111.3112271 560.1486174 328.7701228 216.8698627 319.6996299 214.5799779 223.0687705 109.5279856 226.4870835 111.2124377 221.6615063 3593.74116 217.9819963 2814.161143 278.1732152 1815.470557 2013.185658 3292.553403 3016.878624 FAD 79 420.5499691 288.1579375 38520.95325 46547.86113 36174.30128 59143.59254 44232.04728 47393.9237 35479.00395 5287.98351 52252.79755 38804.63102 39001.70696 53000.60895 1299.398555 9703.743237 10202.33497 21566.38916 6733.344192 23767.35264 17982.84272 22784.38687 24121.07061 22136.4446 17765.0649 18436.13103 22374.16297 19458.86075 465.7493162 1264.197414 5262.272965 8945.420968 24408.83198 9448.209153 22085.70529 21295.58098 20490.70191 21391.06058 21205.28394 19504.73474 19520.14937 17452.5631 19221.9106 499.6107156 32673.2714 32541.89573 28048.35583 24824.40964 22542.38677 28556.28416 31382.15467 28345.30943 29916.20541 41914.97201 28766.54816 29836.10557 24738.64454 24490.42995 32157.22753 37051.6383 6327.522694 40103.32322 6293.514351 641.4000864 426.0432432 353.4803612 FAD 517 2637.377984 3213.990189 1557.792889 2556.25929 2102.152345 2093.722368 1631.35163 295.0421817 2903.679039 1816.945103 2301.648915 2268.349889 119.0762921 40.22123631 789.9467241 244.3649248 726.4521073 1787.482735 1362.928421 1243.375215 651.4474438 1705.886375 2236.183459 224.3382612 744.6822369 94.10297314 694.5582298 1493.855854 748.8718328 653.186031 1382.334562 1106.37115 1023.261644 1279.671764 1028.966035 1286.178514 1363.495745 1630.570915 2080.627004 1335.369647 1456.687139 811.1598623 1024.800065 1893.785512 590.3284072 2720.474879 1806.843393 2528.682887 1420.926283 797.169734 529.827908 2087.2205 1578.406593 1301.579435 1727.190089 101.541713 Formyl-CoA 408 204.3918487 431.8477628 836.8129959 317.0396878 323.7314848 107.8247337 212.5945019 107.1290223 427.055393 107.1569725 208.3752791 103.3801244 320.514444 102.2063837 206.3807648 215.322401 96.88043772 107.0469417 105.7018078 326.2855724 214.7990028 218.5549652 103.1111324 428.3575536 311.4252549 213.6495725 197.7913296 219.4050668 323.6041015 215.5538462 213.2644095 973.6920987 104.7616609 102.5335275 539.074772 216.8428617 298.6980748 439.7637333 106.7279428 108.2400629 211.157459 99.80929987 104.9540213 329.7002798 109.2552875 107.3803658 194.9552474 186.4616531 Formyl-CoA 79 395.7556687 198.8557376 889.3291472 521.3267059 1054.371575 396.2877015 795.6052758 1317.532671 289.1826928 432.5098686 904.3018714 486.810796 793.0520365 291.6666314 932.221007 509.1557011 1391.853906 809.7744662 288.4104755 646.3790745 1919.913863 214.0888964 222.7169478 520.8882984 494.7914719 1443.810811 429.8925494 215.599918 816.6324154 317.6458353 191.8859702 592.4635599 1297.913082 914.2607183 106.2723795 218.1501945 1158.668551 332.2399563 209.7654166 322.4085483 679.4596486 1032.560153 781.5963047 487.5613176 1335.609171 1085.423199 213.6006614 109.9498794 316.7164882 489.1724545 1030.528469 865.3163198 2725.547312 2291.403797 2120.316819 401.0106878 866.8072435 490.2291576 1708.157439 2922.263241 2676.708054 3408.872495 1041.598788 280.7601236 194.9483226 102.6254965 Acetyl-CoA 79 326.8721073 199.6948452 2772.01135 3547.117654 175.6111933 4151.497168 1306.705584 1822.200385 795.2604216 1334.093856 612.213454 443.64082 2940.013359 872.0927014 675.0345625 1513.851838 440.8675059 908.3103445 984.3494007 1075.311232 452.675273 967.9135385 761.194869 490.6569127 1155.859948 961.8005549 1199.934671 1586.153115 661.8792327 950.8643525 856.2131827 571.4072743 1429.491799 1065.842105 440.2569765 1291.865248 235.9138683 558.1838583 1025.053232 622.8637132 598.8816562 1422.504255 1075.284432 740.1573747 1963.723267 2734.94507 1998.596823 450.4650214 366.7365625 540.9835039 15173.36007 2085.370353 1873.570339 2252.252492 1179.499383 1461.089575 403.2097115 2783.372594 1216.520161 5984.057232 5450.728671 5428.768376 5583.774153 280.3607317 453.1170326 Acetyl-CoA 408 221.8851296 1374.126673 171.8453221 73.90402408 85.95796555 364.9511438 107.4838233 408.0603712 389.2736551 6045.625416 292.5345804 167.1688752 255.473108 45.21916037 2395.456438 2064.274939 1513.466221 2351.23459 Acetyl-CoA 461 206.001751 382.3365432 97.00421223 171.8453221 814.2610568 32.70897331 86.8724499 188.5832985 75.69841242 97.31841378 4930.373249 31.56097534 741.1282543 1984.578535 2606.512727 1250.457397 2009.912742 Propionyl-CoA 408 62.06289178 151.5470499 65.75347123 188.9157195 155.9216086 352.4374955 459.4137569 68.18103559 259.8953014 196.7301505 199.2809006 131.3686627 157.6661945 64.25338831 117.4348198 148.4763603 172.3623262 70.49732777 120.4540936 69.65953059 195.7700973 128.0190667 66.6433488 158.0778237 207.1888855 65.6572201 188.4974313 267.039262 64.53201756 317.5048531 68.67392177 252.4338644 65.39351253 126.3491973 82.13418778 158.7077612 77.17430254 64.94590419 329.2718706 152.6055655 84.85727749 320.8569839 233.1371856 671.5226452 84.0106563 256.864704 1375.563046 326.3930077 324.1129532 382.6185079 258.9152398 343.1875686 249.665096 257.6922406 126.6600548 64.69566999 368.3936565 Butyryl-CoA 79 369.9906107 61.43757177 908.1029909 1744.664622 1381.297984 2907.170546 985.906033 869.0136566 2463.564416 682.0946023 2697.785942 1554.374516 983.5264874 1129.068401 610.2750309 598.5440063 655.1230285 4823.290169 399.8360344 5683.222218 6461.427209 4694.894676 4704.606481 4306.360409 4460.9009 5976.89088 5690.767776 5859.374195 164.5973329 507.6396367 355.9575148 892.0498011 2213.665433 699.1009791 3956.960408 6227.336052 4807.21046 2506.220451 3182.693085 2442.058516 4077.645012 4476.671563 3123.985183 176.6934029 1737.752791 1116.071261 3161.161673 1922.766394 2477.054359 3232.399718 1521.747398 491.3846018 1503.482861 1679.057476 1290.285248 1579.385391 2006.502633 1568.200682 2473.383994 2668.282487 1340.850532 641.7031295 1425.410834 161.6853143 370.1750185 118.85064 Butyryl-CoA 408 64.5226657 64.90174124 61.07783777 60.98252985 64.05369086 61.74297037 65.39943698 123.6170427 66.43553705 64.36807394 444.6729972 192.5286535 61.71599406 253.2389264 63.07590839 62.02680389 131.7046855 63.02005277 63.41153173 260.5761318 126.1093153 Methylcrotonyl-CoA 79 366.9185114 106.4379678 942.5203136 1437.825725 1685.477419 572.080636 2161.458064 1252.667997 1285.808029 769.4439059 1357.219468 1532.664592 504.7077335 2283.91477 818.9290843 853.2611734 567.286383 4160.228124 468.0548684 4407.620166 2347.05953 1844.771622 1808.120227 2387.545024 2389.204323 1631.301612 1695.374556 2794.838995 1115.663141 1256.820713 484.9233369 1851.618926 2113.861826 934.2106974 964.147144 3609.108784 1654.293118 879.0191997 4199.511286 1105.747653 5318.744562 4893.918897 4716.96176 1159.559215 2516.792728 1915.739465 5429.148797 1838.694055 1001.656181 1427.442776 814.7594909 820.7797458 3874.202254 1592.991502 2797.168126 1610.148316 1151.114657 2994.08277 3024.230507 2387.967417 2919.835866 1235.989965 1220.024853 398.2516821 315.0276188 620.9049976 Methylcrotonyl-CoA 408 214.5806423 320.7026237 110.6348479 212.8629456 197.5514383 110.0911439 214.3782846 109.4087985 437.9938074 217.563982 324.1562336 218.1223311 329.8235692 100.9995236 106.2951472 1073.532895 542.2962234 105.813643 109.9970965 107.7599708 107.2249615 544.385595 220.0202391 108.7474482 109.8320169 110.7985656 221.5475733 109.1029066 206.0845094 106.5011595 311.3378545 Malonyl-CoA 408 58.20543667 75.39574093 67.90622679 258.9691553 156.9256233 67.70071111 136.0151536 534.4159794 355.5048249 458.278289 67.13810207 554.0137964 122.7528067 242.8775255 442.7585967 813.2410958 135.9292347 274.8678916 72.96337004 556.0142299 337.3490148 146.3398199 72.49014188 201.2553683 209.5385275 441.8282789 64.59964094 658.358497 149.6551478 524.9619908 68.05049355 456.9222643 438.1686735 152.4669264 632.6029357 276.2814713 395.8782284 288.3871344 732.0360215 501.0336062 373.2680719 388.6915897 71.99232378 251.9599997 308.333494 122.5536074 384.009747 646.8566252 390.2994484 378.2694156 377.794171 494.186389 198.5773667 188.4720719 370.585365 1182.874967 268.2671087 448.4392164 332.8625129 64.38341366 64.94860542 Malonyl-CoA 426 218.8237619 225.656401 746.7132445 144.8976676 Succinyl-CoA 408 86.72036056 86.42205839 91.69398266 459.9427888 91.66991671 1055.090712 359.2697124 622.9768329 279.0699736 452.5627592 389.163554 273.4988866 84.10055987 197.8167674 268.2525991 178.5489053 195.8111 179.5116828 359.7669283 175.5461245 178.7216294 91.71743608 90.24200896 89.23747891 262.4493244 97.64094451 90.37376739 390.7249497 177.5685031 90.46515743 264.2758878 88.97404536 84.72663435 176.9066452 103.9759749 178.6718717 182.8528106 92.11918993 91.66451116 356.0466274 90.96030607 88.0668269 181.2628523 197.2537092 311.7231628 88.7384784 354.8419102 76.44132559 173.9354593 HMG-CoA 408 195.4500083 291.8365789 192.4303421 194.1092335 197.7305461 1588.136712 403.6315612 985.9729886 97.58970557 554.1150609 197.4537387 665.6202582 99.57753666 395.8699599 204.712169 98.96334602 198.5875221 102.0981563 101.5510115 110.9126447 219.6457049 101.2791056 98.23769091 99.28602734 194.3581 101.7615453 198.3523057 533.1650369 114.4430185 204.2361777 100.1399915 101.5500685 193.6134323 328.8827545 115.6847685 303.7009908 418.956037 206.8629188 192.9831081 288.915144 98.98476466 102.7096915 100.3130625 398.4218392 280.9479219 190.142843 HMG-CoA 426 799.7063721 100.1584106 198.5718756 Lauroyl-CoA 408 115.1983882 237.4696864 117.2885551 115.587663 229.1481986 344.310316 228.3939288 226.5427318 115.0971397 226.1792071 439.6729231 690.5557089 116.6426995 228.8449799 343.8878273 1825.149439 228.3439441 928.3833531 121.1227459 800.6362187 791.304361 221.1430786 113.7387979 567.7935426 571.4542239 565.5686162 576.0610886 224.2447433 114.468323 230.2508244 115.8033527 572.3039155 464.0602524 232.6358751 111.5843895 236.838892 339.9007483 357.499089 445.0095661 238.3150203 120.4916547 118.0686183 579.4144777 119.490454 116.7789779 117.0814874 120.4486418 alpha-Cyclodextrin 161 394.0271619 1185.563085 2742.446038 1942.993903 2703.830421 470.2538492 1134.3718 2645.13484 376.1620758 467.8207561 382.2406538 382.744657 434.6529426 396.096177 766.3655606 754.0130123 755.4714 770.9881989 386.0980321 384.6887297 388.8530144 384.9957334 388.7866567 alpha-Cyclodextrin 101 1978.855688 Myristoyl-CoA 408 121.4397604 120.1781754 116.4390081 234.9407557 114.1973578 116.9962252 117.6593318 234.5162517 116.8825053 697.491145 120.1228905 460.9012267 227.8907544 234.4935064 566.1521456 228.0413706 113.8702177 575.8186217 108.8736441 117.0146548 115.1586945 116.7188326 579.6278839 343.9306942 236.426532 1138.760204 908.8117812 1259.002533 345.677852 114.3978816 573.5389224 115.2251316 226.8286357 113.5037909 348.3597291 223.6773523 226.6914063 359.4609125 454.1164463 311.9637074 119.6126613 116.4197486 354.0088972 117.2334614 Palmitoleyl-CoA (16:1) 79 117.7030757 231.6634027 117.944903 116.4716569 115.7093763 117.2769412 347.02164 232.1731674 672.3999234 450.2140483 222.302329 229.1350748 117.0034477 1495.648414 473.6530885 343.6688434 682.7118836 1376.972882 1599.591661 228.3093153 340.5284265 572.3603363 110.265528 109.6578561 469.676338 115.8364233 232.2200933 588.8027658 230.8071177 232.3604043 461.2726672 1259.824533 681.7721802 225.6526132 538.282726 117.0253391 576.6447156 235.9542626 349.6192519 119.2832939 120.0518159 120.9014557 119.2098214 116.3746979 327.8547128 450.9987411 348.012762 117.1687033 230.411749 110.6860574 116.1507613 Palmitoyl-CoA (16:0) 79 118.317398 235.7968531 116.7838345 232.1079396 115.3028137 232.3382254 116.4055051 460.8079887 930.2689368 117.2479978 115.5722387 109.3119853 449.1141211 341.8740972 341.5320442 351.2677826 583.1370303 688.4587501 705.8331491 342.4622701 683.3588202 459.9300401 351.1610419 231.5340092 228.2848689 222.0436995 228.6928319 692.5066697 115.9752011 684.3826696 476.1003035 1611.990293 338.6077989 1270.156808 790.9281716 343.9086806 682.6127526 1139.905786 225.0265385 118.0249522 345.7558541 118.4663895 349.1541669 355.0035181 438.4975538 116.3563101 238.9891892 239.4668814 118.2627087 119.5129095 357.5822804 357.7358579 339.4079883 350.7287284 219.4664856 118.2942032 215.0649805 Oleoyl-CoA (18:1) 79 693.0182451 360.5138833 336.8651931 593.1916821 335.5152822 217.6327641 116.2130049 332.2191398 583.6432017 233.4423374 337.6314652 234.8206331 352.2843328 793.983999 117.5477076 115.94852 452.0484753 1028.60494 226.8138175 468.9870128 795.5828277 1040.865278 229.0617473 815.1768984 115.2251397 119.0560938 810.5524607 708.634374 459.4554901 341.1618968 1143.973894 462.2797067 335.9374126 459.912329 569.8330087 115.1665664 467.6140595 581.4487443 471.1134716 117.2656712 715.6266133 116.5366699 349.5319231 355.0550656 116.1037805 234.4418991 229.4108375 474.5791923 1056.782599 115.5332179 118.9418231 475.6871531 472.0627443 223.9591821 343.0935166 112.0685262 117.9096759 metabolite_name compound group name expected retention time retention time transition pubchem id kegg id regno Formic PAR Formic 3.72 3.57 45.0 / 45.0 284 C00058 37099 Acetic PAR Acetic 3.4 3.37 59.0 / 59.0 176 C00033 24 Acetic PAR ATTN Acetic 3.4 3.37 59.0 / 59.0 176 C00033 24 [D3] Acetic PAR [D3] Acetic acid 3.4 3.36 62.0 / 62.0 176 C00033 24 Glyoxylic 45 Glyoxylic acid 2.88 3.07 73.0 / 45.0 760 C00048 37082 Propionic PAR Propionic 3 3.1 73.0 / 73.0 1032 C00163 25 Pyruvic 32 Pyruvic 2.8 2.87 87.0 / 32.0 1060 C00022 1584 Butyric PAR Butyric 2.5 2.63 88.1 / 88.1 264 C00246 26 Oxalic 61 Oxalic 8.42 8.37 89.0 / 61.0 971 C00209 38125 Lactic 87 Lactic 3.1 3.1 89.0 / 87.0 612 C01432 122706 Lactic 71 Lactic 3.1 3.1 89.0 / 71.0 612 C01432 122706 Valeric PAR Valeric 1.63 1.72 101.1 / 101.0 7991 C00803 27 Malonic 59 Malonic 7.12 6.8 103.0 / 59.0 867 C00383 1964 2-Hydroxybutyric 17 2-Hydroxybutyric 2.45 2.5 103.0 / 17.0 11266 C05984 1281 3-Hydroxybutyric 17 3-Hydroxybutyric 2.96 2.88 103.0 / 17.0 441 C01089 1282 2-Hydroxybutyric 57 2-Hydroxybutyric 2.45 2.53 103.0 / 57.0 11266 C05984 1281 3-Hydroxybutyric 59 3-Hydroxybutyric 2.96 2.88 103.0 / 59.0 441 C01089 1282 3-Hydroxyisobutyric 73 3-Hydroxyisobutyric 3.12 3.18 103.0 / 73.0 87 C01188 107776 Fumaric 71 Fumaric 7.63 7.32 115.0 / 71.0 444972 C00122 37095 Maleic 71 Maleic 3.32 3.26 115.0 / 71.0 444266 C01384 37118 Maleic 27 Maleic 3.32 115.0 / 27.0 444266 C01384 37118 N-Acetylglycine 74 N-Acetylglycine 3.8 3.41 116.0 / 74.0 10972 37295 Succinic 73 Succinic 6.83 6.74 117.0 / 73.0 1110 C00042 1966 Succinic 99 Succinic 6.83 6.74 117.0 / 99.0 1110 C00042 1966 Methylmalonic 55 Methylmalonic 6.28 6.09 117.0 / 55.0 487 C02170 2030 Methylmalonic 73 Methylmalonic 6.28 6.09 117.0 / 73.0 487 C02170 2030 Benzoic 77 Benzoic 1.87 1.74 121.0 / 77.0 243 C00180 37901 Taurine 80 Taurine 6.5 6.39 124.0 / 80.0 1123 C00245 37162 Ethyl sulfate 97 Ethyl sulfate 2.5 2.49 125.0 / 97.0 6004 44769 Ethyl sulfate 80 Ethyl sulfate 2.22 2.69 125.0 / 80.0 6004 44769 Pyroglutamic 82 Pyroglutamic 3.6 3.57 128.0 / 82.0 7405 C01879 37171 Citraconic 85 Citraconic 3.15 2.86 129.0 / 85.0 643798 C02226 2018 Itaconic 85 Itaconic 6.9 6.81 129.0 / 85.0 811 C00490 1984 Itaconic 41 Itaconic 6.9 6.87 129.0 / 41.0 811 C00490 1984 Oxaloacetic 87 Oxaloacetic 8 7.82 131.0 / 87.0 970 C00036 2032 Asparagine 113 Asparagine 6.68 6.66 131.0 / 113.0 6267 C00152 37114 S-2-hydroxyisocaproic 85 S-2-hydroxyisocaproic 1.72 1.67 131.1 / 85.0 83697 C03264 1518 S-2-hydroxyisocaproic 113 S-2-hydroxyisocaproic 1.72 1.73 131.1 / 113.0 83697 C03264 1518 Aspartic 88 Aspartic 6.5 6.55 132.0 / 88.0 5960 C0004 37126 Aspartic 115 Aspartic 6.5 6.56 132.0 / 115.0 5960 C0004 37126 Malic 115 Malic 7.3 7.32 133.0 / 115.0 222656 C00149 37105 Malic 71 Malic 7.3 7.32 133.0 / 71.0 222656 C00149 37105 Ethanolamine phosphate 79 Ethanolamine phosphate 7.25 7.47 140.0 / 79.0 1015 C00346 37145 Ethanolamine phosphate 63 Ethanolamine phosphate 7.25 7.46 140.0 / 63.0 1015 C00346 37145 Octanoic PAR Octanoic 1.5 1.48 143.1 / 143.1 379 C06423 30 Ketoglutaric 101 alpha-Ketoglutaric 7 6.97 145.0 / 101.0 51 C00026 37135 Ketoglutaric 57 alpha-Ketoglutaric 7 6.96 145.0 / 57.1 51 C00026 37135 O-Acetylserine 116 O-Acetylserine 3.82 3.8 146.0 / 116.0 99478 C00979 38234 Glutamic 102 Glutamic 6.34 6.28 146.0 / 102.1 33032 C00025 37101 Glutamic 128 Glutamic 6.34 6.29 146.0 / 128.0 33032 C00025 37101 Xanthine 108 Xanthine 4.36 4.32 151.0 / 108.0 1188 C00385 37186 Orotic 111 Orotic 3.66 3.59 155.0 / 111.0 967 C00295 37146 Orotic 67 Orotic 3.66 3.58 155.0 / 67.0 967 C00295 37146 N-Formylleucine 114 N-Formylleucine 1.64 1.69 158.1 / 114.0 9880216 Indole-3-carboxylic 116 Indole-3-carboxylic 3 2.96 160.0 / 116.0 69867 C19837 38287 N-Acetylcysteine 84 N-Acetylcysteine 2.65 2.55 162.0 / 84.0 12035 C06809 37912 N-Acetylcysteine 120 N-Acetylcysteine 2.65 2.71 162.0 / 120.0 12035 C06809 37912 Phenylalanine 147 Phenylalanine 3.9 3.74 164.1 / 147.0 6140 C00079 37108 Phenylalanine 72 Phenylalanine 3.9 3.74 164.1 / 103.0 6140 C00079 37108 Phenyllactic 147 Phenyllactic 1.76 1.69 165.1 / 147.0 643327 C05607 37405 PEP 79 PEP 8.45 8.43 167.0 / 79.0 1005 C00074 37169 Uric 124 Uric 5.3 5.1 167.0 / 124.0 1175 C00366 37183 Uric 96 Uric 5.3 5.09 167.0 / 96.0 1175 C00366 37183 DHAP 79 DHAP/GA3P 6.85 6.84 169.0 / 79.0 668 C00111 37815 DHAP 97 DHAP/GA3P 6.85 6.84 169.0 / 97.0 668 C00111 37815 Glycerol 1-phosphate 79 Glycerol 1-phosphate 6.05 6.08 171.0 / 79.0 Glycerol 2-phosphate 79 Glycerol 2-phosphate 6.3 6.31 171.0 / 79.0 2526 C02979 38172 Glycerol 3-phosphate 79 Glycerol 3-phosphate 6.7 6.65 171.0 / 79.0 439162 C00093 37088 N-Acetylleucine 130 N-Acetylleucine 1.68 1.66 172.1 / 130.0 70912 C02710 41523 cis-Aconitic 85 cis-Aconitic 8.27 8.18 173.0 / 111.0 643757 C00417 37059 cis-Aconitic 111 cis-Aconitic 8.27 8.17 173.0 / 85.0 643757 C00417 37059 N-Acetyl-L-aspartic 88 N-Acetyl-L-aspartic 6.62 6.44 174.0 / 88.0 65065 C01042 37441 N-Acetyl-L-aspartic 156 N-Acetyl-L-aspartic 6.62 6.48 174.0 / 156.0 65065 C01042 37441 Citrulline 131 Citrulline 7.05 7.02 174.1 / 131.1 9750 C00327 37494 Ascorbic 157 Ascorbic 7 7.04 175.0 / 157.0 54670067 C00072 42577 Ascorbic 79 Ascorbic 7 6.98 175.0 / 79.0 54670067 C00072 42577 fMet 128 fMet 1.65 1.75 176.0 / 128.0 439750 C03145 37551 Glucono-1,5-lactone 129 Glucono-1,5-lactone 5.88 5.5 177.0 / 129.0 7027 C00198 37103 Hippuric 134 Hippuric 1.8 1.7 178.1 / 134.0 464 C01586 37382 Glucose 59 Glucose 6.4 6.15 179.1 / 59.0 5793 C00031 37084 Glucose 71 Glucose 6.4 6.16 179.1 / 71.0 5793 C00031 37084 myo-Inositol 161 myo-Inositol 7.6 7.57 179.1 / 161.1 892 C00137 49811 Fructose 89 Frucose 5.56 5.51 179.1 / 89.0 439163 C00095 55672 Glucose 89 Glucose 6.3 6.15 179.1 / 89.0 5793 C00031 37084 Mannose 59 Mannose 5.92 6.07 179.1 / 59.0 18950 C00159 37115 Mannose 95 Mannose 5.92 6.07 179.1 / 95.0 18950 C00159 37115 Mannitol 89 Mannitol 5.91 5.79 181.1 / 89.0 6251 C00392 37414 Sorbitol 71 Sorbitol 5.75 5.79 181.1 / 71.0 5780 C00794 37159 Saccharin 42 Saccharin 1.8 1.55 182.0 / 42.0 5143 C12283 44013 Homocysteic 80 Homocysteic 7.35 7.28 182.0 / 80.0 177491 C16511 38074 O-Phospho-L-serine 97 O-Phospho-L-serine 7.76 7.72 184.0 / 97.0 68841 C01005 37174 O-Phospho-L-serine 79 O-Phospho-L-serine 7.76 7.59 184.0 / 79.0 68841 C01005 37174 3PGA 97 3-Phosphoglyceric 8.3 8.21 185.0 / 97.0 439183 C00197 51044 Citric 87 Citric 8.75 8.79 191.0 / 87.0 311 C00158 37071 Isocitric 73 Isocitric 9.11 8.99 191.0 / 73.0 1198 C00311 142389 Isocitric 117 Isocitric 9.11 8.99 191.0 / 117.0 1198 C00311 142389 Citric/Isocitric 111 Citric/Isocitric 8.75 8.85 191.0 / 111.0 311 C00158 37071 Citric/Isocitric 173 Citric/Isocitric 8.75 8.98 191.0 / 173.0 311 C00158 37071 Sunset Yellow 2- 171 Sunset Yellow 2.95 2.91 203.0 / 171.0 17730 Lipoic 171 Lipoic 1.6 1.69 205.0 / 171.0 6112 C16241 1887 Lipoic 137 Lipoic 1.6 1.7 205.0 / 137.0 6112 C16241 1887 Phosphocreatine 79 Phosphocreatine 6.93 6.84 210.0 / 79.0 9548602 C02305 37839 Deoxyuridine 111 Deoxyuridine 2.75 2.82 227.1 / 111.0 13712 C00526 37024 Myristic PAR Myristic 1.37 1.36 227.2 / 227.2 11005 C06424 36 Tartrazine 2- 211 Tartrazine 9.76 9.76 233.0 / 211.0 164825 C07574 HEPES 80 HEPES 1 4 4.1 237.1 / 80.0 23831 166279 HEPES 107 HEPES 2 4 3.96 237.1 / 107.0 23831 166279 Cystine 120 Cystine 7.3 7.19 239.0 / 120.0 67678 C00491 37127 Cystine 74 Cystine 7.3 7.18 239.0 / 74.0 67678 C00491 37127 Uridine 111 Uridine 3.73 3.66 243.1 / 111.0 6029 C00299 37190 C75 209 C75 (contaminated signal) 1.4 1.4 253.1 / 209.0 4248455 Palmitoleic PAR Palmitoleic 1.37 1.36 253.2 / 253.2 445638 C08362 490 Palmitic PAR Palmitic 1.37 1.38 255.2 / 255.2 985 C00249 23 Glucose 1-phosphate 79 Glucose 1-phosphate 7.37 7.33 259.0 / 79.0 65533 C00103 37876 Glucose 1-phosphate 151 Glucose 1-phosphate 7.37 7.39 259.0 / 151.0 65533 C00103 37876 Glucose 6-phosphate 97 Glucose 6-phosphate 7.94 7.84 259.0 / 97.0 5958 C00092 37776 Glucose 6-phosphate 139 Glucose 6-phosphate 7.94 7.84 259.0 / 139.0 5958 C00092 37776 Stearic PAR Stearic 1.37 1.44 269.2 / 269.2 5281 C01530 39 Xanthosine 151 Xanthosine 5.3 4.93 283.1 / 151.0 64959 C01762 181421 EDTA 273 EDTA 6.35 6.32 291.1 / 273.0 6049 C00284 43228 Mevalonate pyrophosphate 79 Mevalonate pyrophosphate 7.35 7.58 307.0 / 79.0 439418 C01143 1521 Penicillin G 289 Penicillin G 2.61 2.65 333.1 / 289.0 5904 C05551 43291 Fasnall 178 Fasnall 1.98 1.92 337.1 / 178.1 16230362 Fructose-1,6-bisphosphate 97 Fructose-1,6-bisphosphate 6.95 7.02 339.0 / 97.0 10267 C05378 49892 Fructose-1,6-bisphosphate 177 Fructose-1,6-bisphosphate 6.95 339.0 / 177.0 10267 C05378 49892 Cellobiose 161 Cellobiose 6.9 6.99 341.1 / 161.0 10712 C00185 37048 Sucrose 89 Sucrose 6.57 6.69 341.1 / 89.0 5988 C00089 37166 Trehalose 59 Trehalose 7.15 7.02 341.1 / 59.0 7427 C01083 37528 AMP 79 AMP 5.96 5.86 346.1 / 79.0 6083 C00020 37043 AMP 193 AMP 5.96 5.86 346.1 / 193.0 6083 C00020 37043 IMP 79 IMP 6 5.86 347.0 / 79.0 135398640 C00130 37117 Phenol Red 93 Phenol Red 1.78 1.71 353.0 / 93.0 4766 C12600 154042 Phenol Red 195 Phenol Red 1.78 1.69 353.0 / 195.0 4766 C12600 154042 GMP 79 GMP 7.76 7.65 362.1 / 79.0 135398631 C00144 37773 FAICAR 79 FAICAR 7.64 7.67 365.1 / 79.0 166760 C04734 37801 Riboflavin 243 Riboflavin 3 2.96 375.1 / 243.0 493570 C00255 37156 CDP CDP 8.15 8.08 402.0 / 79.0 6132 C00112 71911 UDP 111 UDP 7.8 7.76 403.0 / 111.0 6031 C00015 37189 UDP 79 UDP 7.8 7.77 403.0 / 79.0 6031 C00015 37189 Cholic 343 Cholic 1.75 1.58 407.3 / 343.0 221493 C00695 36243 dGDP 79 dGDP 7.25 7.04 426.0 / 79.0 135398595 C00361 37523 Pemetrexed 297 Pemetrexed 5.7 5.84 426.1 / 297.0 135410875 D07472 62865 Pemetrexed 321 Pemetrexed 5.7 426.1 / 321.0 135410875 D07472 62865 Folic 311 Folic 7.65 7.55 440.1 / 311.0 135398658 C00504 37083 UTP 79 UTP 8.6 8.61 483.0 / 79.0 6133 C00075 37180 UDP-glucose 323 UDP-glucose 7.52 7.49 565.0 / 323.0 8629 C00029 37181 UDP-glucose 273 UDP-glucose 7.52 7.49 565.0 / 273.0 8629 C00029 37181 UDP-N-acetyl-D-glucosamine 79 UDP-N-acetyl-D-glucosamine 6.86 6.77 606.1 / 79.0 445675 C00043 29179 GSSG 306 L-Glutathione oxidized 8.05 8.08 611.1 / 306.0 65359 C00127 49863 GSSG 179 L-Glutathione oxidized 8.05 8.08 611.1 / 179.0 65359 C00127 49863 NAD+ 540 NAD+ 6 6.02 662.1 / 540.0 5892 C00006 71883 NAD+ 273 NAD+ 6 6.04 662.1 / 272.9 5892 C00006 71883 NADH 408 NADH 5.85 5.84 664.1 / 408.0 439153 C00004 42581 NADH 335 NADH 5.85 5.84 664.1 / 335.0 439153 C00004 42581 NADP+ 620 NADP+ 7.85 7.87 742.1 / 620.0 5886 C00006 67508 NADP+ 134 NADP+ 7.85 7.93 742.1 / 134.0 5886 C00006 67508 NADP+ 408 NADP+ 7.85 7.9 742.1 / 408.0 5886 C00006 67508 NADPH 408 NADPH 8.1 8.2 744.1 / 408.0 5884 C00005 50514 NADPH 328 NADPH 8.1 8.25 744.1 / 328.0 5884 C00005 50514 Coenzyme A 79 Coenzyme A 6.25 6.3 766.1 / 79.0 87642 C00010 50040 Coenzyme A 408 Coenzyme A 6.25 6.32 766.1 / 408.0 87642 C00010 50040 FAD 79 FAD 4.8 4.63 784.2 / 79.0 643975 C00016 67574 FAD 517 FAD 4.8 4.62 784.2 / 517.0 643975 C00016 67574 Formyl-CoA 408 Formyl-CoA 6.22 6.28 794.1 / 408.0 3082032 C00798 50136 Formyl-CoA 79 Formyl-CoA 6.22 5.86 794.1 / 79.0 3082032 C00798 50136 Acetyl-CoA 79 Acetyl-CoA 5.5 5.54 808.1 / 79.0 444493 C00024 50043 Acetyl-CoA 408 Acetyl-CoA 5.5 5.54 808.1 / 408.0 444493 C00024 50043 Acetyl-CoA 461 Acetyl-CoA 5.5 5.55 808.1 / 461.0 444493 C00024 50043 Propionyl-CoA 408 Propionyl-CoA 5.25 5.24 822.1 / 408.0 92753 C00100 50150 Butyryl-CoA 79 Butyryl-CoA 4.95 4.79 836.2 / 79.0 122283 C00136 50132 Butyryl-CoA 408 Butyryl-CoA 4.95 4.71 836.2 / 408.0 122283 C00136 50132 Methylcrotonyl-CoA 79 Methylcrotonyl-CoA 6.24 6.27 848.2 / 79.0 6443760 C03345 37996 Methylcrotonyl-CoA 408 Methylcrotonyl-CoA 6.24 6.2 848.2 / 408.0 6443760 C03345 37996 Malonyl-CoA 408 Malonyl-CoA 7.9 7.83 852.1 / 408.0 644066 C00083 50143 Malonyl-CoA 426 Malonyl-CoA 7.9 7.83 852.1 / 426.0 644066 C00083 50143 Succinyl-CoA 408 Succinyl-CoA 7.63 7.54 866.1 / 408.0 92133 C00091 50056 HMG-CoA 408 HMG-CoA 7.38 7.34 910.2 / 408.0 445127 C00356 50087 HMG-CoA 426 HMG-CoA 7.38 7.22 910.2 / 426.0 445127 C00356 50087 Lauroyl-CoA 408 Lauroyl-CoA 2.5 2.62 948.3 / 408.0 165436 C01832 4404 alpha-Cyclodextrin 161 alpha-Cyclodextrin 7.45 7.44 971.3 / 161.0 444913 D08846 alpha-Cyclodextrin 101 alpha-Cyclodextrin 7.45 7.18 971.3 / 101.0 444913 D08846 Myristoyl-CoA 408 Myristoyl-CoA 2.5 2.64 976.3 / 408.0 11966124 C02593 37846 Palmitoleyl-CoA (16:1) 79 Palmitoleyl-CoA (16:1) 2.5 2.67 1002.3 / 79.0 25244394 C21072 58565 Palmitoyl-CoA (16:0) 79 Palmitoyl-CoA (16:0) 2.5 2.52 1004.3 / 79.0 644109 C00154 50139 Oleoyl-CoA (18:1) 79 Oleoyl-CoA (18:1) 2.5 2.65 1030.4 / 79.0 5497111 C00510 50146