metabolite_name C1 C2 C3 C4 C5 C6 H1 H2 H3 H4 H5 H6 L1 L2 L3 L4 L5 L6 M1 M2 M3 M4 M5 M6 P1 P2 P3 P4 P5 P6 Methylmalonic Acid 0.732895798 0.678986894 0.422867213 0.650661012 0.688100433 0.72435068 0.254417233 0.234056732 0.300284038 0.267863667 0.265225154 0.248344995 0.593001319 0.466763467 0.40314869 0.537700307 0.470696216 0.412978416 0.538035174 0.327133119 0.341839155 0.343463239 0.415744318 0.357238364 0.168122608 0.116535747 0.131223418 0.12936931 0.14807008 0.132627615 4-Hydroxyphenyllactate 0.012109189 0.013312856 0.007009292 0.011045702 0.011824953 0.012742 0.004714434 0.004434716 0.004104784 0.00455063 0.004865915 0.004752072 0.01515413 0.008002189 0.006481336 0.011477328 0.009014687 0.007029036 0.009785131 0.006335948 0.006445799 0.006638554 0.006975422 0.006763543 6.94685E-06 1.90336E-06 4.48344E-06 6.80033E-06 1.06837E-05 7.40958E-06 N-Acetyl-Glutamine 0.002551308 0.002644051 0.001609695 0.002280578 0.002202448 0.002529195 2.56663E-05 2.98734E-05 3.54485E-05 3.3621E-05 0.001756336 3.29917E-05 0.00279577 4.34415E-05 4.10448E-05 0.002550256 0.002474894 4.30144E-05 0.002393145 4.06475E-05 4.67814E-05 0.001989858 3.96982E-05 0.002132572 3.52364E-06 3.65455E-06 2.80357E-06 2.46056E-06 7.00487E-06 4.87333E-06 N-Acetyl-L-Ornithine 0.012664328 0.012583684 0.009159331 0.010753394 0.010690074 0.010986944 0.008646061 0.005098796 0.006220616 0.006295926 0.006441366 0.007570978 0.012281573 0.008258068 0.008559574 0.011707365 0.008805686 0.008558539 0.010848753 0.008950738 0.01224585 0.010624028 0.00797751 0.010573481 0.001509106 2.08609E-05 0.003130453 2.43839E-05 0.002340519 0.001711246 Phenylpyruvate 0.013613781 0.013898519 0.010057414 0.011716814 0.013167913 0.014899107 0.007884163 0.007745015 0.009508438 0.008756546 0.007311414 0.009558552 0.014323646 0.009168049 0.013619627 0.012547191 0.01292759 0.011711784 0.014792795 0.011541732 0.014843067 0.012201816 0.010495307 0.012010969 0.002436771 0.001520212 0.001996287 0.001866842 0.002648485 0.002344993 Proline 0.083711213 0.091594067 0.046247656 0.069586385 0.072591136 0.086673924 0.039289612 0.038516034 0.041618948 0.041269466 0.041084775 0.042472555 0.082470427 0.059876569 0.056576262 0.074486645 0.065456151 0.060380105 0.078946697 0.058922063 0.075537082 0.062054255 0.063448046 0.066383039 0.007667069 0.006684093 0.006833368 0.007752013 0.011383652 0.009613848 3-Methylphenylacetic Acid 0.015091682 0.011524576 0.011529665 0.014243091 0.011739622 0.01341432 0.010128907 0.009402405 0.009446494 0.008236324 0.00844171 0.010368397 0.016011087 0.011871456 0.009730789 0.013753059 0.011740902 0.009069185 0.016671428 0.012352504 0.00967936 0.013571271 0.014733402 0.012873285 0.011945981 0.010156329 0.011947301 0.012731267 0.0150377 0.012358174 Aspartyl-Leucyl-Serine 1.95053E-05 1.85261E-05 0.00045256 1.66758E-05 1.6621E-05 0.000937739 0.00143481 0.001200741 0.001439664 0.001462925 0.000565591 0.001316708 8.43709E-06 0.001146174 0.001287875 8.96115E-06 1.80393E-05 0.001016261 0.000582975 0.001519277 0.002220187 2.07476E-05 0.001272729 2.30272E-05 2.54305E-05 6.67624E-07 4.6865E-07 7.37242E-07 1.59873E-06 0.000119613 Glucose-6-Phosphate 0.031178933 0.037390739 0.018646607 0.027010422 0.033100472 0.033086552 0.016904971 0.015376689 0.020491599 0.012711089 0.019002324 0.016324962 0.032409335 0.0153233 0.02166485 0.029982941 0.017763053 0.023144856 0.031207788 0.01356532 0.016830776 0.02012373 0.025384049 0.020369314 0.009729584 0.00777818 0.008299484 0.007894864 0.009709312 0.008485128 D-Gluconate 0.266415649 0.227204836 0.115935864 0.228422272 0.144528977 0.266303525 0.090543159 0.10122169 0.107662313 0.10198154 0.040124859 0.072184416 0.321065859 0.155663897 0.146507299 0.306680143 0.229694682 0.154190874 0.150858721 0.169978125 0.083601687 0.075971044 0.176895447 0.182906791 0.003310227 0.003155062 0.002738612 0.004779071 0.01629951 0.010372279 Nicotinate 0.649702746 0.685155339 0.354918744 0.546273808 0.593795458 0.659633609 0.364003422 0.338395684 0.359644778 0.369337186 0.3732068 0.369073592 0.511443052 0.519328582 0.467829072 0.522885509 0.495723627 0.447411055 0.600792923 0.45312335 0.568822011 0.467313502 0.456192157 0.508806097 0.09602142 0.145189609 0.140246705 0.123541163 0.14365148 0.091070557 Glutamate 6.867121663 7.11308341 3.706955344 5.724128725 6.058740045 6.675485874 3.649640711 3.456301266 4.186389837 3.675528549 3.880853407 3.772120652 6.412456083 5.282241917 5.181851573 5.955568594 5.267611658 4.982623333 6.792314438 4.998362054 6.832893358 5.328704728 5.840888049 5.372498553 0.289888988 0.442750268 0.243117552 0.573152334 0.471949934 0.317629639 N-Acetyl-Glucosamine-1/6-Phosphate 0.01359973 0.014417487 0.009920286 0.013193586 0.011831467 0.013695657 0.010475809 0.009489456 0.009042271 0.010405427 0.009498528 0.009909377 0.010657968 0.010762941 0.008995956 0.012266644 0.011090586 0.011597372 0.010551417 0.012852476 0.010367535 0.010246645 0.010636355 0.011882917 0.000305696 0.000258462 0.000319187 0.000306892 0.000445321 0.000318442 Glucono-Lactone 0.023462163 0.023874835 0.011175814 0.01616253 0.019259448 0.021255138 0.011420602 0.008748906 0.011605174 0.011675655 0.010697841 0.010617485 0.000946354 0.018208386 0.000169229 0.000778016 0.019076623 0.013610807 0.017699467 0.011566351 0.004659826 0.005993265 0.014891274 0.011221521 6.20408E-06 5.0435E-06 1.01169E-05 7.89265E-06 9.58948E-06 7.94946E-06 N-Acetyl-L-Alanine 0.006376952 0.00660293 0.003097156 0.005751694 0.005495661 0.006537134 0.003004637 0.003301411 0.003645779 0.00338118 0.003486872 0.003704713 0.005874009 0.004669342 0.004858718 0.005631648 0.004914411 0.004750641 0.006623686 0.004573613 0.005024261 0.004327585 0.005110813 0.005290015 1.83397E-05 0.000609008 1.33312E-05 1.62537E-05 2.12542E-05 1.53474E-05 Ribulose-5-Phosphate 0.086342486 0.111110718 0.133405549 0.122860643 0.149668659 0.093735909 0.139962102 0.176045037 0.158012356 0.17939039 0.163877664 0.15180256 0.099871931 0.156110626 0.000240564 0.117785626 0.124670226 0.148299146 0.095659122 0.129093603 0.071618179 0.080370782 0.102679444 0.101038989 0.108369597 0.09646375 0.119897975 0.100474255 0.11047968 0.087143208 Hydroxyphenylacetic Acid 0.002279602 0.002508862 0.002638845 0.002245141 0.002474808 0.002471398 0.002195169 0.002038541 0.001983109 0.002338566 0.001894464 0.002115241 0.002503651 0.002050471 3.27049E-05 0.002518996 0.002175661 0.002069219 0.002110589 0.002008975 0.002392876 0.002188511 0.00205755 0.002332343 0.002919378 0.002436704 0.002531276 0.002555653 0.003079166 0.002913596 Aminolevulinate 0.012818171 0.01558051 0.00624118 0.011009005 0.012249119 0.012521409 0.006105015 0.006423298 0.007347836 0.007017709 0.006715874 0.007553782 0.012039702 0.010627464 0.009404068 0.012672741 0.011513797 0.010686301 0.012534749 0.009930544 0.010323805 0.00881447 0.00957851 0.010375985 0.000957887 0.000792338 0.000859954 0.000897873 0.001397099 0.00114379 Lactate 0.075891718 0.14334776 0.084601292 0.106806975 0.129861712 0.106859648 0.060185709 0.063740483 0.067761658 0.079517255 0.066754656 0.080149572 0.094212086 0.110531339 0.027233867 0.103605301 0.096333365 0.08582407 0.095659879 0.072126437 0.081360804 0.06432696 0.099580581 0.092077741 0.031517494 0.000558639 0.032654041 0.025918054 0.044962763 0.000530541 Methionine 0.740821766 0.758294422 0.432242864 0.601681437 0.60456964 0.729963072 0.509365461 0.397307 0.45995907 0.467613523 0.443958139 0.489263494 0.678778909 0.569828751 0.540857512 0.67320009 0.566599846 0.559372575 0.752538394 0.616132319 0.841069684 0.69503885 0.646997374 0.681878976 0.112605641 0.095310531 0.100340568 0.11150667 0.150232247 0.121922637 Valyl-Aspartate 0.002324124 0.003062193 0.001759829 0.002565046 0.002788242 0.0025467 0.001862728 0.001710898 0.001977552 0.001860117 0.001925701 0.002014892 0.002787917 0.002579864 0.002012931 0.002844885 0.002469812 0.002218681 0.0021381 0.002041737 0.002528709 0.00180769 0.002087958 0.002172073 0.000148331 0.000118286 0.000158422 0.00015173 0.000280552 0.0001792 Inositol 0.055349763 0.066579864 0.021749698 0.048750272 0.052597921 0.060688791 0.028620448 0.026940602 0.033088897 0.033560951 0.031316398 0.030987652 0.056210569 0.043015518 0.044437789 0.051784869 0.046548585 0.043912247 0.058941741 0.051299144 0.069828971 0.042766972 0.052676493 0.053538728 0.022937552 0.020547302 0.024482463 0.022769025 0.032041923 0.020817899 DL-Pipecolic Acid 0.001263411 0.001331452 9.51104E-06 0.001209734 0.001133135 0.001440853 7.65694E-06 1.36494E-05 1.66659E-05 0.000850804 1.52624E-05 0.000644479 2.71494E-05 0.001080874 1.66919E-05 2.00545E-05 1.80562E-05 1.70773E-05 2.06402E-05 1.37892E-05 1.56184E-05 1.16314E-05 0.000980094 0.000451509 2.37762E-06 3.85445E-06 2.57985E-06 4.59418E-06 5.69135E-06 3.23486E-06 Aspartate 1.246882387 1.326003861 0.454182235 1.029978148 1.030327297 1.292422174 0.638809461 0.602928291 0.71065817 0.693174984 0.665255157 0.721847637 1.124827268 0.898188705 0.878720696 1.070180063 0.923173431 0.868193565 1.223721321 1.106426338 1.80927846 1.027244138 1.158768427 0.743595832 0.157015364 0.115137289 0.13059727 0.137392636 0.221777697 0.143028084 dCMP 0.0394791 0.037017462 0.007006018 0.024124167 0.024504216 0.037862212 0.016696353 0.008806117 0.014220352 0.014501501 0.010561685 0.014753546 0.038137702 0.015555432 0.014089658 0.028183029 0.019958876 0.012182049 0.037889578 0.032672658 0.041316345 0.032032362 0.036427219 0.034526641 7.34928E-08 3.65549E-07 9.74844E-08 3.66279E-07 6.84808E-07 3.81577E-07 Tryptophan 0.10433037 0.104690155 0.050325023 0.082072335 0.080356263 0.10513202 0.067107624 0.0547121 0.063337726 0.063165435 0.054847471 0.069898356 0.102638541 0.073190422 0.068755165 0.097334987 0.085179151 0.077094342 0.089223902 0.093912924 0.125772359 0.096242486 0.086193951 0.103862829 0.016749397 0.016503719 0.018640692 0.018100794 0.023656548 0.018277325 Homocysteic Acid 0.001898469 0.001906634 0.000711932 0.000902435 0.001442709 0.001778874 0.000660383 0.00087096 0.000791812 0.000932734 0.000804882 0.000964012 0.00157906 0.001399513 0.001348186 0.001513646 0.000645454 0.001470847 0.001759796 0.000570861 0.000533147 0.001218274 0.001335751 0.001458662 0.000152457 2.13555E-06 0.000174628 0.000322 0.000276525 0.000253881 Taurine 0.002443446 0.002914153 0.001533242 0.00254746 0.002461118 0.002899553 0.001842366 0.001933971 0.001784174 0.001843853 0.001863926 0.002112319 0.002668719 0.002114385 0.001718858 0.003045719 0.002718102 0.002040058 0.001960487 0.002535871 0.002767092 0.002409463 0.001944481 0.002293774 0.000960909 0.000809713 0.001053065 0.001017098 0.001291543 0.000996066 Uric Acid 2.92824E-06 1.65735E-06 6.77353E-07 2.65154E-06 1.70968E-06 2.10386E-06 8.36038E-07 6.44312E-07 4.45448E-07 8.0794E-07 1.30972E-06 1.66724E-06 0.000228138 4.40724E-07 2.05757E-06 3.35271E-06 2.75353E-06 1.35279E-06 2.91678E-06 4.50918E-06 5.33726E-06 3.7258E-06 3.72994E-06 4.29103E-06 0.001853905 0.001532157 0.001803155 0.002553874 0.002433156 0.002342778 4-Pydroxybenzoate 0.005316058 0.006515485 0.003798823 0.005156257 0.005952637 0.005525446 0.005024712 0.00444477 0.004509781 0.003921575 0.004049208 0.004139861 0.005956598 0.004946364 0.004960837 0.00459041 0.004628281 0.004564712 0.005114403 0.004873243 0.004794095 0.004713613 0.004697178 0.004414698 0.003779753 0.002681527 0.003399283 0.003532669 0.005325858 0.004072499 GDP 1.25358E-06 0.005831881 0.018776269 0.012175908 0.014345712 0.001740944 0.001184592 0.001135136 0.000349226 0.001822422 0.001749786 0.001725739 0.005915309 0.008031928 0.002446531 0.009205305 0.007871419 0.008383609 0.001269168 0.00029595 0.000164407 0.000816543 0.000346608 0.000265727 0.001519714 0.000305733 0.000706405 0.000339836 0.00042275 0.000323926 Leucine/Isoleucine 1.786290208 1.971483084 0.913742274 1.581897818 1.622010574 1.862169391 1.232551013 1.105492794 1.344092679 1.2797343 1.240714835 1.263065522 1.586013088 1.61340507 1.61917791 1.65174988 1.519925281 1.497523237 2.058487151 1.722380319 2.352738096 1.562059286 1.81583272 1.787710309 0.482550897 0.351212656 0.424426025 0.416583569 0.649218173 0.434711023 4-Pyridoxic Acid 0.001448805 0.001455421 0.000690872 0.001115324 0.001047216 0.001376315 0.000986973 0.00085207 0.000896196 0.000815458 0.000900819 0.000890192 0.001118171 0.00100463 0.001062339 0.001147233 0.000977331 0.001017553 0.001284443 0.000841702 0.000896581 0.000910001 0.000425003 0.001027994 0.000774308 0.000628099 8.75643E-06 0.000580381 0.000938609 0.000743567 Acetyl-Glycine 0.003691263 0.005283243 0.002896233 0.00559281 0.004584335 0.007137825 0.002860273 5.27593E-05 0.004022822 0.003271912 0.003756466 0.003115436 0.004675993 0.003932538 6.63107E-05 0.004366954 0.004000539 0.003937814 0.002861626 0.003579806 5.9194E-05 0.002266812 0.004072649 0.003762023 3.60328E-05 2.70655E-05 3.59313E-05 0.001814457 3.96976E-05 0.001851943 dGMP 0.012244671 0.030220494 0.004077384 0.008998886 0.018735153 0.021401172 0.010097217 0.002958348 0.006776075 0.006818867 0.004126178 0.007961484 0.021482807 0.010749389 0.010583795 0.016670926 0.013715456 0.009413507 0.02517277 0.014849121 0.003318132 0.014141148 0.018668258 0.014697335 0.230371825 0.251360923 0.273345821 0.228976989 0.226010537 0.196437797 dAMP 0.002386323 0.00958383 0.001392953 0.002519974 0.005889391 0.005145324 0.002693438 0.000592476 0.001566543 0.001468334 0.000451209 0.00189479 0.005959077 0.001940724 0.002555266 0.004219979 0.003379738 0.001530945 0.006665268 0.004321209 0.000312937 0.003732946 0.005456701 0.004114643 7.9833E-06 7.81638E-06 1.08646E-05 1.70156E-05 1.42586E-05 1.37659E-05 Arginine 0.01792416 0.016094361 0.006644979 0.015206041 0.016077741 0.018428084 0.008918926 0.008925378 0.011599852 0.01184275 0.010166784 0.012543902 0.015991239 0.014120659 0.012911228 0.012854778 0.01083022 0.013609238 0.017531352 0.01573889 0.023190249 0.013471364 0.015394948 0.017359058 0.004420998 0.003728728 0.003643806 0.004099581 0.005637397 0.003740166 D-Glucarate 0.003777805 0.006172488 5.15993E-05 0.004671885 0.00578295 0.005659388 6.6738E-05 5.19656E-05 0.004092572 6.83578E-05 6.18581E-05 0.004211817 0.006081362 0.004875796 7.5369E-05 0.005013008 0.005561617 7.58952E-05 0.005338275 0.00481456 0.005537201 7.05685E-05 0.005691934 0.004141627 6.63719E-05 5.57046E-05 6.30006E-05 6.81547E-05 0.00444078 8.14592E-05 Uridine 0.214519164 0.191214345 0.070485624 0.140536122 0.130948065 0.196144274 0.115855049 0.090872163 0.106752876 0.108684846 0.102812306 0.111368343 0.158789892 0.10315602 0.122907066 0.142368702 0.118943544 0.114936676 0.178213297 0.153875121 0.218620193 0.162073731 0.161904496 0.159425553 0.003016495 0.003875734 0.004404614 0.005148917 0.009847439 0.005846483 dTMP 0.013205619 0.013741298 0.004157566 0.009177173 0.01109553 0.01312084 0.008866136 0.005803477 0.007136123 0.007474117 0.006058723 0.007902758 0.011016288 0.007367334 0.009520187 0.008724523 0.008013179 0.007251272 0.01514959 0.016537745 0.01454541 0.012717012 0.015314977 0.015152523 4.52163E-06 4.47818E-06 1.10373E-05 6.44666E-06 7.93394E-06 8.7988E-06 Ketoleucine 0.447209683 0.44124393 0.147926349 0.346937479 0.356985288 0.448686117 0.258376232 0.193101427 0.253903474 0.289039912 0.286412208 0.276369604 0.433487849 0.349593297 0.36620807 0.377772532 0.345009611 0.350283354 0.44922395 0.341428871 0.41019434 0.298716378 0.378870453 0.361394887 0.018258696 0.015087578 0.015036553 0.01860206 0.024430974 0.017154477 dUMP 1.12786E-05 0.008067642 0.001109753 0.001597672 0.002925851 3.10139E-05 0.005034509 0.003317486 0.00691773 0.005193966 0.00416007 0.005462537 4.8589E-05 0.005555388 0.001717746 0.004491118 0.002578427 0.002428377 0.00400229 0.014532806 4.94106E-05 0.002613486 0.007469369 7.95138E-05 0.001417869 0.003288361 0.003810246 0.004092377 0.007764625 0.004182829 Ribose 0.535338876 0.686791425 0.349325995 0.581949891 0.65818322 0.604261477 0.393271986 0.47524048 0.494877309 0.500441189 0.497462982 0.443266585 0.659888302 0.562720136 0.637870242 0.637410268 0.590859793 0.594945279 0.643467427 0.544476753 0.64508196 0.42257663 0.592558085 0.524522115 0.126957107 0.182159212 0.215615567 0.185051232 0.305685235 0.1642287 Fructose-1-6-Bisphosphate 0.045920905 0.036805129 0.008649351 0.02904936 0.024033471 0.043710552 0.041188873 0.041643164 0.042197412 0.044705098 0.040466212 0.04377058 0.034781802 0.022293643 0.02670039 0.030159 0.026767173 0.025420754 0.038005995 0.043913536 0.024243515 0.021577034 0.039265634 0.031860173 0.018756744 0.016080166 0.018805835 0.0174368 0.030102932 0.021113438 D-Sedoheptulose-1/7-Phosphate 3.76939E-05 0.003350051 0.00107063 0.00180028 3.0813E-05 0.002403777 0.003107161 0.002110861 0.002490818 0.002583328 0.00208315 0.002690558 0.001909673 3.55212E-05 0.002156545 0.002225297 0.001096587 3.33617E-05 3.76686E-05 0.002317733 1.4182E-05 0.001494661 0.00202288 0.001853059 2.80326E-06 4.46367E-06 0.00027628 0.000161612 0.000270035 0.000143298 Threonine 0.338077445 0.387211785 0.143811341 0.283032931 0.281091821 0.361048326 0.227203133 0.218924535 0.22406429 0.248441979 0.225829111 0.257552026 0.356719882 0.281436665 0.216972828 0.355485704 0.300297815 0.263256783 0.298260286 0.354387094 0.443471349 0.286068443 0.296245472 0.356937724 0.023527046 0.023019122 0.027057869 0.025644577 0.033916794 0.025245873 Alanine 0.145618396 0.170848928 0.074737412 0.139827052 0.143806842 0.159597767 0.103430121 0.110186088 0.121602047 0.123133577 0.114599443 0.116522965 0.152120834 0.142586101 0.122915568 0.162760937 0.142430272 0.133481342 0.155375459 0.152819947 0.194759248 0.124661335 0.151727642 0.15010753 0.02490045 0.023807645 0.028509908 0.024989285 0.035387302 0.023606326 Xanthine 8.04813919 7.267548512 2.643045003 5.857948413 5.479813025 7.560113386 5.533491706 3.931886958 4.87100766 4.709297243 4.353751615 4.862195629 6.028044085 5.243280696 5.931653465 5.740909874 5.376396945 5.356152743 8.037389545 7.204882611 11.22447893 7.646806449 7.871318993 7.690116749 0.743807252 0.563469262 0.647123905 0.737357411 1.290264347 0.816801062 Ascorbic acid 0.031212367 0.002368892 0.010106254 0.021758758 0.014127519 0.030471701 0.011247251 0.016032068 0.00135006 0.008178293 0.006548745 0.013825639 0.019592972 0.011757312 0.011459327 0.015846249 0.02418104 0.012032551 0.023874575 0.023806335 0.014818638 0.019492315 0.007443396 0.014826217 0.002958444 0.001876959 0.001253898 0.002243886 0.004031102 0.004937354 Trehalose/Sucrose 0.007347747 0.012547455 0.009739402 0.011521013 0.013037296 0.008517514 0.006113761 0.009156487 0.008773796 0.009478276 0.009746258 0.008505505 0.01018705 0.010966295 0.010845353 0.012207162 0.011262762 0.011802422 0.00769055 0.007958472 0.006024811 0.005075786 0.006993052 0.006579595 0.00478096 0.005912324 0.006672598 0.004914294 0.005298694 0.003782731 Leucyl-Aspartate 0.022895866 0.02881083 0.017668581 0.024161722 0.028243818 0.024318545 0.019751616 0.018218671 0.025904842 0.021947492 0.020451562 0.021611079 0.025668401 0.027133539 0.0270401 0.025605956 0.023896042 0.025164272 0.024642402 0.024431744 0.027658176 0.019088755 0.024393935 0.023291028 0.001752637 0.001662404 0.001878936 0.001791227 0.002951945 0.001806692 Citrulline 0.030451589 0.037549357 0.016417012 0.030881775 0.030991169 0.032365102 0.0228267 0.02397275 0.02424231 0.028814016 0.024936834 0.026188275 0.036169313 0.031953881 0.029851699 0.036933741 0.033115045 0.034371995 0.033439371 0.035385924 0.042734599 0.027489594 0.032724024 0.036099361 0.013019025 0.010318182 0.0121081 0.012007191 0.016978887 0.011268063 Adenine 0.881981098 1.625642589 1.039538857 1.325185289 1.819613969 1.176520235 0.809067167 1.194244769 1.324227464 0.569072398 1.207339611 1.089559369 1.573722354 1.633605058 1.803637627 1.572176875 1.543382491 1.771898614 1.270858458 1.090057971 0.702014001 0.676148695 1.25819366 0.672827317 0.32871978 0.076414384 0.562882088 0.284132237 0.929921777 0.357208522 CDP 0.005025911 0.034566848 0.086525418 0.067973595 0.063796598 0.020900176 0.012681537 0.026394817 0.034350614 0.025068091 0.038332077 0.02384029 0.056409195 0.052883391 0.038490491 0.069892812 0.046263878 0.041686648 0.016536087 0.004235959 0.001468524 0.007259449 0.006713789 0.00495671 0.00153936 0.001351834 0.001819106 0.000853474 0.001604879 0.001133849 Glycine 0.071260859 0.086127725 0.036082436 0.064646292 0.066580889 0.073359226 0.052949051 0.05273846 0.058970965 0.059777172 0.055925549 0.057202817 0.070343486 0.071193479 0.058855911 0.076839349 0.067277605 0.065599876 0.071226354 0.077882977 0.095460942 0.062384548 0.073547793 0.078833922 0.009500174 0.009665842 0.011685726 0.009533758 0.015197377 0.009095633 UDP 0.004660004 0.037648908 0.073994062 0.050896477 0.080043306 0.015618203 0.015211754 0.02380799 0.036878415 0.025674119 0.028270823 0.021503698 0.045664299 0.048863758 0.038105497 0.052384123 0.04313792 0.045091193 0.01684269 0.003478407 0.001066235 0.007982209 0.006783295 0.00553198 0.001678996 0.001218832 0.00164566 0.000859276 0.001275836 0.000702459 UMP 0.014382621 0.018402662 0.010588892 0.01422828 0.016596795 0.015373377 0.013835815 0.012812777 0.013098713 0.013838086 0.013512034 0.013163769 0.019621532 0.015254672 0.015645149 0.01694399 0.000256329 0.014637287 0.018372814 0.015280958 0.012748711 0.012781867 0.016365096 0.014940678 0.00393868 2.99453E-05 8.45812E-05 0.005432672 0.0069945 9.06176E-05 Hydroxyisocaproic acid 0.000376358 3.21306E-05 0.00018444 0.017487118 5.17943E-05 0.02313154 0.002120607 0.002346094 0.000283078 0.000332345 0.000349232 0.000298698 0.019181783 0.019936248 0.000503306 0.00033649 0.020307542 0.00041324 0.027137421 0.021270231 0.02197084 0.000288332 0.023023765 0.002477332 0.015694578 0.00017216 0.012107113 0.000204292 0.000266008 0.000185603 Deoxyuridine 0.293783707 0.3338739 0.105539239 0.21876578 0.250222067 0.305129306 0.223104722 0.177290537 0.205462688 0.199348415 0.201163262 0.222445262 0.307998816 0.184315136 0.186315771 0.267360079 0.220853218 0.178866714 0.312137438 0.308241282 0.345858844 0.262479806 0.303572371 0.293182377 0.000722938 0.001015673 0.001409864 0.001233131 0.003061137 0.00134979 Quinolinate 0.005804153 0.008415166 2.5976E-05 0.006017353 7.16033E-05 0.005292949 3.476E-05 3.62335E-05 0.000699562 0.005259102 0.005561474 3.55445E-05 0.006878653 7.4204E-05 0.008676279 8.35717E-05 0.009362775 0.003224988 0.002699124 0.002992885 0.003507949 1.4634E-05 0.003991813 4.01117E-05 0.005852509 0.003105898 0.004457948 0.005419023 0.010088935 0.002577499 Isoleucyl-Aspartyl-Serine 0.000997495 0.001028424 0.000521548 0.000915828 8.39146E-06 0.000899782 0.000979409 0.0009638 0.001149834 0.001167734 0.000960112 0.000556572 0.000898904 0.000518183 0.001025724 0.001013416 0.000736075 0.000697889 0.001100365 0.001333616 0.001709208 0.000954899 0.001345922 0.001185206 8.56287E-05 0.000178757 1.65771E-06 2.50863E-06 0.000317352 0.000129313 Deoxyribose-phosphate 0.095504852 0.108629158 0.030476085 0.054647587 0.060358601 0.102748232 0.108889857 0.057971625 0.093284543 0.099775595 0.08957675 0.103206332 0.102311586 0.077551388 0.050086768 0.083854987 0.060037456 0.076831909 0.104881725 0.124949599 0.128621684 0.10060489 0.110115614 0.119937584 0.001852407 0.001462768 0.001792381 0.002002999 0.003379483 0.002033495 Ribose-5-phosphate 0.08187168 0.155202845 0.287258386 0.244798535 0.270767208 0.111186451 0.172939159 0.261967403 0.261216768 0.239729302 0.264966808 0.209131828 0.138554002 0.232997544 0.258524271 0.183008591 0.20748498 0.248670884 0.12186288 0.111165284 0.028329585 0.065116436 0.113129397 0.078479904 0.013547612 0.011682552 0.012342083 0.01029981 0.00874828 0.009845176 Glycerate 0.040574479 0.042745423 7.6223E-05 0.031979495 0.032484687 0.037972787 0.015868376 0.00229496 0.01631457 0.040505361 0.027533568 0.028539584 0.029281266 0.024600284 0.022494869 0.0226235 0.034710062 0.029471581 0.000501526 0.024631619 0.04610915 0.014202604 0.037956129 0.031676471 0.006784467 3.45846E-05 5.34999E-05 0.004944845 0.009168727 0.002312754 Asparagine 0.07169771 0.106090298 0.04867213 0.079868483 0.088767026 0.084478715 0.082833117 0.085270081 0.0874822 0.094694377 0.087733612 0.093940682 0.098536614 0.100063985 0.079584806 0.110200682 0.096188635 0.090835004 0.08777009 0.100181399 0.074644136 0.06280726 0.085526015 0.084711083 0.000162012 0.000182894 0.000219019 0.000164945 0.000230704 0.000153748 Acetoacetate 2.24613E-05 2.0166E-05 1.39031E-05 2.16806E-05 4.14109E-05 2.04663E-05 1.67455E-05 2.68924E-05 3.88035E-05 0.002249504 2.68929E-05 2.91783E-05 2.23937E-05 1.92669E-05 2.85291E-05 3.05238E-05 2.07109E-05 3.47414E-05 2.54528E-05 1.83168E-05 3.40351E-05 1.06271E-05 3.80505E-05 2.11501E-05 0.003030719 0.001435718 4.2725E-05 0.001572909 0.001895587 0.002055825 Hydroxyphenylpyruvate 0.001729549 0.001914591 0.001563433 0.001866306 0.002172154 0.001769399 0.00167174 0.001884664 3.20259E-05 0.001951303 0.002018277 0.001739908 0.001663201 0.001938579 0.00179347 0.001802297 0.001673822 0.001757356 0.001867601 0.001631079 0.001926626 0.001795672 0.001763209 0.001667369 0.0021814 0.001862828 0.002344788 0.001761071 0.002225256 0.001585571 2-Oxobutanoate 0.021466915 0.025689156 0.013365782 0.01938703 0.008882422 0.048179904 0.043881987 0.033012125 0.030864488 0.019303628 0.043785631 0.00881464 0.021240209 0.000198427 0.016198186 0.061077006 0.011403935 0.069074155 0.008738291 0.01773159 0.022012248 0.00025651 0.033288923 0.00013888 0.015741214 0.035029055 0.022235439 0.007175424 0.007151097 0.043285699 Serine 0.175302209 0.217250838 0.089237204 0.164261577 0.172735489 0.190889781 0.148923417 0.145880519 0.154282255 0.164633051 0.149796328 0.163206749 0.184611217 0.179508607 0.142840551 0.201580719 0.176724129 0.162896762 0.177620457 0.215067003 0.27074698 0.162564571 0.185515698 0.206779043 0.021620326 0.021390132 0.026255706 0.022074842 0.029389943 0.021256559 Citrate/Isocitrate 0.009786268 0.059924535 0.008836916 0.049681494 0.067305454 0.013682733 0.019709466 0.040611428 0.067866334 0.032757322 0.063684767 0.037883538 0.019309626 0.075695508 0.062718642 0.026259745 0.003146825 0.042436974 0.039873217 0.04057423 0.086669907 0.007432303 0.050871412 0.035689473 0.008872936 0.002191002 0.023014725 0.002148662 0.023309889 0.001720075 5-Aminopentanoic Acid 0.005030242 0.000114225 4.88588E-05 8.62627E-05 0.005619073 0.005944559 0.002890664 0.003308536 0.0035967 0.003785389 0.003865017 0.003438937 0.005250438 7.70557E-05 0.005064704 0.00536871 7.83004E-05 0.004741608 0.000101745 0.004255714 7.52763E-05 0.003377181 0.004920569 0.005132704 2.12184E-05 2.34708E-05 1.95658E-05 0.001095493 2.79475E-05 0.001512277 Hexose-Phosphate 0.006422256 0.007637115 0.005257414 0.006308488 0.006574631 0.006607669 0.007644473 0.005662888 0.00656636 0.006792123 0.005955124 0.007205598 0.009060146 0.006395557 0.005724112 0.008350914 0.007392458 0.006946491 0.006033288 0.006401512 0.00287119 0.004566552 0.005631859 0.00538137 0.002637888 0.003410771 0.003643354 0.003390808 0.003625812 0.002918007 SN-Glycerol-3-Phosphate 0.390375586 0.482230214 0.424201681 0.499852033 0.532989757 0.41139336 0.610858667 0.413117188 0.339784265 0.472732958 0.413020528 0.445602641 0.257388911 0.34709761 0.397326642 0.283109702 0.315622954 0.344112935 0.456004555 0.414140224 0.371943758 0.341538974 0.44853342 0.390692472 0.267293718 0.204683819 0.23075372 0.211987164 0.282554756 0.2391208 2-Keto-Isovalerate 0.000340723 0.000709698 0.049651538 0.035679772 0.05544916 0.029707289 0.000408131 0.045613165 0.056241024 0.039376015 0.016737921 0.000535865 0.000509178 0.053710856 0.00094922 0.000634042 0.000250317 0.000875085 0.000780974 0.00066499 0.000681687 0.000410022 0.00086366 0.000354339 0.023363379 0.033977379 0.027330373 0.025579958 0.024979211 0.01687923 Cytidine 0.004252333 0.005949369 0.002666329 0.004260972 0.004569463 0.004717588 0.003986312 0.003918514 0.004227896 0.004796945 0.004511382 0.004678159 0.00511585 0.005204111 0.003794072 0.005825458 0.005121114 0.004791962 0.004509375 0.005298654 0.005210271 0.0036095 0.004531786 0.004658441 0.000316867 0.000526617 0.000699808 0.000384973 0.000669939 0.000362742 CDP-Ethanolamine 6.87612E-05 0.000140695 4.62432E-07 6.96233E-05 4.89471E-07 6.87374E-05 7.8934E-05 4.08267E-05 2.39513E-05 7.5542E-05 3.88837E-05 7.6363E-05 1.67177E-06 8.60924E-05 5.47461E-07 9.59001E-05 0.00010953 8.4068E-07 9.10016E-05 9.3048E-05 4.84993E-07 5.05191E-07 8.79606E-05 8.10222E-05 0 3.81644E-08 6.56992E-08 0 0 0 Fructose-6-Phosphate 0.028004204 0.019337377 8.7418E-05 0.016744447 0.011448273 0.026210592 0.020426319 0.013261088 0.015593898 0.017930294 0.013434094 0.019399892 0.01601046 0.010235964 0.010810153 0.015884115 0.012298793 0.010973239 0.018627002 0.037280125 0.055156839 0.02823902 0.026058551 0.034609763 0.00436587 0.003861159 0.005050129 0.006860618 0.014154818 0.007896809 Glutamine 0.140227669 0.1814051 0.070673068 0.130239978 0.140388279 0.151458181 0.125171437 0.129593181 0.134493092 0.149286402 0.133485695 0.145029283 0.156298617 0.141577568 0.119629903 0.165292027 0.145589089 0.142695678 0.159160112 0.181924189 0.236944254 0.139880754 0.1557344 0.180518509 0.017608307 0.023976611 0.028712879 0.023717719 0.032968651 0.020589096 D-Glyceraldehdye-3-Phosphate 0.040590399 0.037807067 0.05609775 0.078294712 0.111347683 0.060959167 0.001460721 0.063710632 0.123270182 0.062434877 0.067616219 0.063823428 0.204989148 0.058838915 0.2601562 0.089352475 0.079758748 0.223996463 0.179574 0.041852479 0.013305426 0.027985159 0.09958273 0.035355168 0.005961775 0.003668615 0.000196154 0.004391111 0.000136313 0.003622309 metabolite_name retention index quantified m/z PubChem ID KEGG ID Methylmalonic Acid 11.48 117.0196 4-Hydroxyphenyllactate 11.58 181.0511 N-Acetyl-Glutamine 6.98 187.0726 N-Acetyl-L-Ornithine 1.54 173.0933 Phenylpyruvate 14.76 163.0405 Proline 1.22 114.0563 3-Methylphenylacetic Acid 15.52 149.0611 Aspartyl-Leucyl-Serine 11.45 332.1474 Glucose-6-Phosphate 6.58 259.0228 D-Gluconate 4.86 195.0514 Nicotinate 10.78 122.025 Glutamate 3.24 146.0461 N-Acetyl-Glucosamine-1/6-Phosphate 7.06 300.0496 Glucono-Lactone 6.95 177.0408 N-Acetyl-L-Alanine 7.73 130.0512 Ribulose-5-Phosphate 7.53 229.0123 Hydroxyphenylacetic Acid 14.3 151.0404 Aminolevulinate 1.15 130.0512 Lactate 7.07 89.0245 Methionine 1.64 148.0438 Valyl-Aspartate 6.4 231.0991 Inositol 1.15 179.0565 DL-Pipecolic Acid 1.45 128.0721 Aspartate 3.7 132.0306 dCMP 10.18 306.0505 Tryptophan 7.39 203.0831 Homocysteic Acid 4.94 182.0133 Taurine 1.17 124.0076 Uric Acid 5.67 167.0212 4-Pydroxybenzoate 10.7 137.0247 GDP 13.46 442.0182 Leucine/Isoleucine 2.12 130.0875 4-Pyridoxic Acid 13.65 182.0464 Acetyl-Glycine 7.28 116.0356 dGMP 11.08 346.0568 dAMP 11.74 330.0619 Arginine 1.04 173.1047 D-Glucarate 12.56 209.0308 Uridine 1.64 243.0624 dTMP 11.43 321.0503 Ketoleucine 14.4 129.0561 dUMP 10.05 307.0345 Ribose 1.22 149.0458 Fructose-1-6-Bisphosphate 13.38 338.9897 D-Sedoheptulose-1/7-Phosphate 7.34 289.0338 Threonine 1.17 118.0513 Alanine 1.14 88.0404 Xanthine 2.62 151.0263 Ascorbic acid 6.45 175.0251 Trehalose/Sucrose 1.2 341.1101 Leucyl-Aspartate 8.56 245.1148 Citrulline 1.17 174.0888 Adenine 3.52 134.0475 CDP 13.27 402.0118 Glycine 1.13 74.0245 UDP 13.48 402.9961 UMP 10.68 323.0294 Hydroxyisocaproic acid 14.09 131.0717 Deoxyuridine 3.37 227.0678 Quinolinate 13.4 166.0149 Isoleucyl-Aspartyl-Serine 8.14 332.1473 Deoxyribose-phosphate 7.29 213.0175 Ribose-5-phosphate 6.78 229.0122 Glycerate 6.39 105.0196 Asparagine 1.16 131.0465 Acetoacetate 7.55 101.0246 Hydroxyphenylpyruvate 13.62 179.0354 2-Oxobutanoate 10.72 101.0247 Serine 1.15 104.0356 Citrate/Isocitrate 13.25 191.0202 5-Aminopentanoic Acid 1.06 116.072 Hexose-Phosphate 7.37 259.0229 SN-Glycerol-3-Phosphate 6.97 171.0067 2-Keto-Isovalerate 13.07 115.0403 Cytidine 1.12 242.0764 CDP-Ethanolamine 6.81 445.0529 Fructose-6-Phosphate 7.62 259.0229 Glutamine 1.15 145.0622 D-Glyceraldehdye-3-Phosphate 7.83 168.9911