metabolite_name UBUF-00091 UBUF-00092 UBUF-00093 UBUF-00094 UBUF-00095 UBUF-00096 UBUF-00097 UBUF-00098 UBUF-00099 UBUF-00100 UBUF-00101 UBUF-00102 UBUF-00103 UBUF-00104 UBUF-00105 UBUF-00106 UBUF-00107 UBUF-00108 UBUF-00109 UBUF-00110 UBUF-00111 UBUF-00112 UBUF-00113 UBUF-00114 UBUF-00115 UBUF-00116 UBUF-00117 UBUF-00118 UBUF-00119 UBUF-00120 UBUF-00121 UBUF-00122 1,2-dipalmitoylglycerol 258576 309088 197817 \N 92343 125231 215900 136132 195963 \N 153608 239886 168869 \N 235278 135057 181218 146265 \N 184841 206338 136737 202575 182441 191258 197401 117708 246855 73190 273825 198088 161903 1,3-dihydroxyacetone 18281 27697 \N 16387 17973 21924 14231 10635 29302 21889 \N 15637 \N \N 19376 2679 18015 13956 21619 \N \N \N 16093 22045 \N 24972 9232 20001 13919 49450 \N 9938 1,3-dipalmitoylglycerol \N 207664 88979 109274 128646 112363 149587 33954 69705 112287 75242 105591 89682 \N 88211 35319 148441 169424 117692 123214 169087 183408 69019 86016 136159 154778 105302 147869 129686 119477 111805 153340 1,5-anhydroglucitol (1,5-AG) 194480 213953 259763 321517 1296030 340831 321817 367558 145920 121878 193022 291695 334931 268260 354749 488257 206169 186127 149209 101811 209693 135698 196786 140416 508327 202222 425099 378818 204911 255023 325025 277574 1,6-anhydroglucose 658752 239450 426172 393596 252886 575582 250744 619106 205253 277099 314723 533323 195297 463287 313830 177663 466298 278674 429196 240476 254696 182151 231955 367941 302155 158044 180647 174153 237778 493836 449849 342667 1-palmitoylglycerol (1-monopalmitin) 622268 451697 386108 346956 346576 400059 418504 323577 444431 347602 372298 353321 364904 412590 453584 290006 463836 408934 343787 398073 445552 439993 430101 294852 395679 399286 391231 373387 351415 323629 424724 459514 1-stearoylglycerol (1-monostearin) 723313 503604 418966 618320 403595 579666 545958 516819 535592 467715 437912 569784 627034 615978 631873 423460 603916 523051 443981 445584 562097 554462 490282 408589 439586 461986 380487 544873 414649 453895 515282 580786 2-aminoadipate 122027 115981 115455 122376 150174 126664 127685 104524 151594 128121 112259 86211 96671 113667 122780 94485 406709 456563 494423 474854 322345 251630 378754 349088 448456 388791 438634 408593 456394 119831 382866 391036 2-aminobutyrate 813086 908940 927091 1263894 634487 1501272 922310 885091 1102125 1294217 580850 1092548 1287139 1100974 1135257 902548 \N 257033 143921 \N \N \N \N \N 284278 242723 193895 181492 \N 217929 \N \N 2-hydroxybutyrate (AHB) 413948 403017 311101 283796 163865 429349 363171 314191 358014 360821 348228 311254 371424 295483 433475 384949 195480 142024 186574 115406 120322 164890 208835 168383 200794 123034 \N 167420 138883 223165 182034 192257 2-hydroxyglutarate 662316 605525 673717 584512 602579 663926 645025 811978 495110 560466 591776 579249 573258 621595 651160 821032 562199 622909 518762 646239 660661 597981 646373 679012 598372 718544 531178 615573 643084 574002 724634 712196 2-oleoylglycerol (2-monoolein) \N \N \N 25991 \N \N \N 7766 \N \N \N \N \N \N \N 13326 \N \N 8066 \N \N \N 8782 9121 \N 10584 \N 12222 \N \N \N \N 2-palmitoylglycerol (2-monopalmitin) 291043 139402 251271 176963 227001 \N 247535 219688 193594 314546 234058 255161 238503 182030 271374 245516 252469 \N 213245 338311 242863 288757 346707 167490 278233 171933 258285 242104 272766 230541 276498 287445 2-pyrrolidinone 1100986 774584 1092954 849057 793801 1254914 859718 1278442 722666 809343 929192 1401200 844765 973688 1042914 949350 1764517 1265893 1246957 974738 1224341 1139832 1079007 1390148 1245006 986455 963425 1055995 1212663 2248678 1323631 1355173 3-hydroxybutyrate (BHBA) 1756723 1440389 4006026 2802544 777199 1029902 2531899 2147705 1285117 3458918 3213789 2315599 2198094 2586926 2535780 2640329 1782972 864224 715270 888705 792636 870765 930610 859749 3297883 968743 823501 816096 844352 1433936 1328524 1409718 3-phosphoglycerate 139960 123590 124387 98725 164074 138157 97170 118524 67107 83956 71899 218125 103045 90285 88914 88313 113339 106209 75944 69400 93429 99603 67864 99104 55457 72052 60155 96049 92506 105842 90786 87732 3-phosphoserine 35570 120703 148838 151644 \N 42853 209558 150817 20813 180342 171162 26871 31000 66484 104440 23408 174611 175952 156279 129410 186691 170467 147444 103832 131218 159287 109416 166815 151134 172023 141922 159229 5,6-dihydrouracil 748992 334648 347696 463510 386190 628270 346636 414869 511712 347974 385563 365666 589159 507691 547818 448788 349681 236542 237979 189112 241664 260123 240192 503150 282316 273189 224790 214283 276048 240037 322589 337009 5-hydroxyindoleacetate 55530 118139 178057 132117 168520 166960 119874 113207 125667 61092 131869 144943 106689 140867 158710 135343 113622 81623 71594 85037 61034 117238 88106 136803 119639 118870 115031 111007 125558 138054 153979 125771 7-alpha-hydroxycholesterol 733116 440945 321366 508887 304569 538386 396039 595063 424250 401436 416307 551785 571376 545436 515703 277819 500889 402004 423485 209795 425325 276020 287935 299081 271487 336586 299012 351251 201082 414491 290162 303777 7-beta-hydroxycholesterol 1357157 767463 715782 805660 535034 789827 585725 922775 867821 724452 821555 992584 926181 949485 937003 606605 947483 688067 835054 487199 808707 569433 698969 639529 561597 563237 577404 721261 521843 783932 615155 748040 adenine 1354747 1124558 1241991 1207659 631810 1016453 1237239 1350928 1235734 1180886 1187133 977323 1261519 1180867 1199899 1332876 1333362 1215880 1235130 1545815 1212334 1169518 1285601 1326041 1042423 1155333 1259097 1135546 1219513 1011196 1104058 1203460 alanine 42103192 47403280 42616372 42414576 35981008 48208360 44048228 45292012 40963708 36194152 40432096 43274152 45997632 42766416 42862160 43999672 41683308 41533192 36927252 38187968 41825936 42750792 45641876 46238000 37945268 39717696 35604796 41446660 42614640 42649976 47696576 46999524 allantoin 80152 94679 193017 247082 144011 124615 138699 113095 105076 201354 151553 106805 105833 119295 87642 128350 125386 66385 74869 64335 60952 82081 74140 74321 95747 86019 71946 60299 92963 101458 110412 149491 allo-threonine 31477 24877 13986 40222 24005 41686 37993 26772 35327 37310 31259 26688 20688 50705 \N 24012 \N \N \N 6660 14891 \N \N 10498 29628 25372 21466 \N 24806 17950 \N 24523 alpha-tocopherol \N 29744 17436 \N 18003 \N 68254 6943 38631 2651 23975 \N \N 21279 \N 17742 \N 22914 \N 41115 17264 27035 24762 \N 40522 24098 37653 31493 56048 68130 29575 45314 arabinose 290976 325874 293919 318775 238051 370272 337353 403959 210435 317640 291874 274170 272759 278419 205073 344756 242824 354604 234154 232349 213398 213899 356238 239224 158865 223282 166034 \N 250212 233725 232856 302207 arabitol 60860 56845 52675 63788 43354 45148 43530 57915 49390 45328 62129 55804 53269 50539 48344 55743 100587 99692 75241 62758 73946 129234 92910 79075 51620 56842 41337 80650 68727 53446 68674 87862 ascorbate (Vitamin C) 24051610 24280842 31521494 25106358 28217222 34602480 31068398 24812606 29333982 29972460 26563892 15684813 23113010 25119384 26200756 27110350 17414090 23325478 10300415 24197748 20334110 23201420 23621598 23386402 23713098 22410260 24783270 13809001 27423302 20338764 24180682 30069054 aspartate 81119264 73259592 76625552 64708600 48536644 47188708 76292064 86425136 82719808 68307328 70494488 57651692 73906656 73968664 87874656 78018056 120687864 108521248 108159456 133781336 116609128 107720952 122378840 121874688 105483064 113291024 124643536 115518016 120318360 111236840 116202680 107818616 beta-alanine 662004 738840 576074 748385 601868 527840 696956 675874 750148 608158 663597 430132 979577 588005 778153 747584 833632 755642 678674 843702 937072 817734 965058 693469 791132 786785 767064 960418 684530 447862 759774 669325 campesterol 515157 430026 353092 460910 401422 453431 533661 363951 501379 513743 510820 494061 633682 470270 392516 439014 363796 195820 242776 284086 277403 370412 232818 345410 323004 308726 310339 244475 337924 352657 282339 397218 chiro-inositol \N 8173 \N \N 59272 \N \N 26204 14048 \N 24695 \N \N 30095 \N \N 46616 36446 31921 55168 28916 37496 50048 81090 \N 41821 39228 42377 33342 60910 42844 79164 cholesterol 52353392 76773544 62058772 56205304 53325124 55808220 58087868 59748868 46926332 53776276 66374244 64619256 46020868 52928628 54966400 40970876 67621504 56860556 59394244 63804024 62811156 63635992 53471936 51745436 58125300 68419896 53785128 54160076 51582684 70342920 65193408 60352524 cis-vaccenate (18:1n7) 829381 1172579 1006384 840519 839320 828025 975743 877996 900855 926105 1016180 762697 800767 1010623 1136692 868986 1381705 1156467 858425 1365461 1330660 1610760 1339256 1146639 1426184 1178376 1293184 1096361 1198097 1030719 1318526 1459897 citrate 2339859 2864602 3040053 2545225 7497836 7928543 2550876 2734128 3603052 3059759 2431182 2793319 2619577 2387254 2658293 3071942 2827634 3069545 3127055 2497106 3032620 2215632 2629129 2290552 2821318 3226603 2414328 3443075 2990027 2627188 2283402 3193812 cystathionine 554894 3279961 6358226 7246867 323294 419731 6221078 4766961 382251 8343418 5371195 369852 406862 6120568 5752828 933569 3032237 3320903 2499817 2996862 2719387 2379818 2597067 2517105 3398544 2476852 2768655 3090805 3267464 2140287 2278872 3041752 cysteine 1641956 1121598 1026083 1107501 904164 1642770 994896 1333284 1671986 1318563 1250368 1094372 1397443 1263153 1621208 1155460 1969276 1658153 1649807 1307490 1679708 1273012 1580344 1473836 1527832 1727524 1121061 2298525 1422863 1675084 1444251 1395634 cysteinylglycine 40688 93742 229859 243678 \N 38086 234571 144364 18555 271485 212428 \N 24617 77079 171479 35677 266523 255982 222781 294316 230987 191676 203287 264529 199323 178475 244563 255359 238414 210236 198705 261454 dehydroascorbate 631757 456360 234104 516213 169677 382244 391492 689511 428505 531491 374484 507186 623072 513121 462679 385339 637803 618664 641743 276377 531748 251302 339218 379224 284759 487017 274081 540846 331149 410270 370409 343467 desmosterol 1499235 1302032 1107627 1672746 1875031 2256027 1395616 917873 1498857 1432409 1150440 1828227 1938071 1836126 1136017 957665 704353 341065 248562 313279 829388 383909 302995 \N 581012 471316 644104 381145 506015 396564 402904 392170 dimethylglycine 201517 287720 267425 325938 502725 248814 276573 142951 288924 134501 \N 407058 167521 298431 253680 320372 \N \N \N \N 117440 \N \N 144785 123953 \N \N 115631 182058 152008 \N 193118 erythritol 186221 192827 212955 166116 147425 168313 172683 237754 116193 137769 197773 152994 168059 187925 141883 154385 193410 296979 152260 154190 210038 203229 236640 215536 103948 194697 134067 186609 238751 208920 210835 287530 erythronate* 189631 195467 207547 199050 176967 164989 200099 186933 126944 138142 225614 167553 170158 174253 151920 206415 159479 381636 160546 216812 288108 253084 325226 249270 163020 230842 154471 257320 279677 230933 295365 290853 ethanolamine 6523741 8729155 7381351 8654004 8175241 8817585 7431019 6190279 9650783 7699123 6964645 6996431 10459432 7957138 8014642 7870805 5851921 5237036 5497037 5775826 6985941 6584440 7644702 4883426 5897674 8056981 5875513 7138774 6201780 5272543 5600833 5075975 fructose 499872 394330 856427 421651 1105808 773055 382899 521610 527370 836980 714609 456381 453166 334868 434219 458267 556054 414041 889374 894584 675254 509573 669072 646249 526708 534735 752483 652021 640247 449442 520746 554385 fructose-6-phosphate 2576659 2253880 2299754 1612601 4851474 5769057 2077614 2046780 2895466 2257482 1669684 1581770 2026243 1772184 1744957 2043739 1911538 1707273 1759962 1751555 1776799 1610238 1932049 1787593 1523028 1958058 1574612 2116323 1664523 1872085 1727188 1910298 fumarate 1744773 881205 931445 923892 937580 1404336 994831 963691 1170320 789869 764720 1032806 1042701 1064714 1034594 857376 939591 890736 637458 662791 797158 809236 865299 986458 732180 776702 655059 837336 907301 989541 878937 1023836 gamma-aminobutyrate (GABA) 17853494 18686696 20344528 18127654 15725508 15918595 21917592 20129288 17380436 17835178 18054370 13383432 18042588 17369706 21780024 21384952 25439160 24630242 21112802 25615756 24527556 23952934 27539720 24598844 23459078 27123988 22468468 24201886 24494712 19863500 25476012 23373120 glucarate (saccharate) 60916 78384 62844 93388 65921 116831 65950 53704 85063 84574 61706 79427 77981 71961 81832 58605 54742 53559 45214 55717 64051 44318 68359 59276 \N 41245 30417 41632 54400 37628 55376 58605 glucose 524781 542101 728028 315228 3598734 2975380 511341 311378 785570 749009 378833 422078 324539 320460 285124 441692 232716 356342 710302 552249 291867 264793 375615 313480 191600 477689 554784 327479 630719 296710 259244 299559 glucose-6-phosphate (G6P) 8257635 7815020 6722985 5372790 18294370 21523058 6777942 7154483 9038962 7275408 5710801 6068449 6411885 5513098 6217510 6592180 6542558 6631595 6425664 5539774 5930008 4830987 6601648 6146156 5548831 7279162 5859101 6784784 6621083 6584611 6173257 6053705 glycerate 148147 111782 82639 150363 117512 89717 103342 118576 110368 63901 146681 155479 142788 111510 123132 137504 86542 93714 127636 100224 94063 119941 95079 97594 81420 46069 90164 76600 85958 99986 122259 105515 glycerol 21022824 18372338 20513880 21200614 15073491 17899818 21210170 22554734 18640606 18702284 22237086 21569818 20497220 21324464 22942298 21252540 26118884 23550036 19625186 23433960 23847416 24235644 27297042 27334460 23810406 22517362 21050096 24577014 22983768 25228432 26714102 26547390 glycerol 2-phosphate 439489 232556 235661 224700 229098 259262 151731 241814 348687 180025 261992 199647 306923 242611 237785 232413 262901 317088 344099 351713 341157 329514 299558 346784 143069 226820 330514 247016 289551 218453 259382 293395 glycerol 3-phosphate (G3P) 6769176 3716991 4062368 3842669 4236514 5089301 3454866 3459010 4877137 4143207 4244564 3986436 5259575 4716540 5155309 3564353 4389429 5762250 5561623 5547483 5180560 5038248 5191266 4965803 2464241 3804961 4078385 4191424 4638204 3023807 3535293 4104464 glycerophosphoethanolamine 87780 155414 376754 171929 \N 63575 311525 230572 53225 318409 379224 45652 48316 154672 248048 114279 383441 694690 626575 767879 558826 574240 582934 799015 262392 516173 473925 466464 671961 261046 521515 552381 glycine 58830584 60118516 78014120 61348572 51818864 83658912 64594316 71016080 60731948 63367188 64911808 60584404 59698724 66135768 66123448 65868840 71918368 59105960 64213476 76516216 67264968 68577208 81752712 80974168 76968096 71674104 67916400 70701928 67516904 71033504 80939872 80628056 homoserine 618093 532591 558322 576978 221500 565250 670664 602093 633384 467852 436429 528073 513920 509586 603762 656563 485542 401424 431864 437127 441189 455733 536733 522750 232915 341423 322250 325845 378661 348479 388932 407973 hypotaurine 854780 886166 902486 828807 757427 675590 1035753 885744 1316890 1025513 1029137 415263 1139124 679987 1188525 998607 792037 866716 675330 685205 927259 650089 694281 502550 849222 988822 1076761 1165187 1047552 502558 851893 874800 inositol 1-phosphate (I1P) 1493655 1505355 1450565 1265511 1087139 2034802 1347476 1292209 1446058 1437530 1194186 1509885 1304192 1411904 1535874 1178534 1366066 1396620 1165627 1192300 1041659 1249819 1483404 1415285 1445197 1569918 1159785 1240497 1336408 1019863 1134882 1213252 inositol 2-phosphate (I2P) 330473 274174 331740 182054 170428 355884 371976 166315 174099 169879 222580 342438 222870 219384 230582 291533 224045 224752 213234 224329 172282 262198 268016 170039 188860 216451 136388 182723 134924 289741 192082 198739 inositol 4-phosphate \N 167070 207001 \N \N 442873 \N \N 121169 114147 93442 91826 61889 85648 \N \N 144069 169937 163664 103349 90026 77348 282987 173444 172405 139981 \N \N 215347 102759 69923 90925 lactate 246706752 223521184 255537072 243372400 152803216 169989584 251137840 253972272 199117072 249711888 273984416 246681360 250228944 238267360 213528832 254519552 211516496 239743824 240920064 221879248 225357952 225738928 246011248 268519680 186332800 210692848 206559552 254928752 235801472 215286336 267239712 284304128 lanosterol 188966 149776 182105 196391 98992 144288 89580 170462 199597 141991 200518 169572 101751 150444 218570 122290 92623 208041 147070 161253 158809 226369 176397 249300 66067 65242 95227 94697 \N 95249 68455 139978 lathosterol 917648 1052896 919706 684457 493926 893323 1022684 831529 692777 854709 975165 821757 592281 909432 872630 622625 708906 734384 503888 649142 794430 742901 608353 583156 527658 625281 560986 339421 458353 588124 619994 600929 lignocerate (24:0) 73113 68410 46447 18916 31007 62538 51647 54018 50978 38016 41617 29805 41182 58040 41900 34426 82323 47967 52766 65977 60609 73508 67947 58451 60859 62290 59680 76004 58894 63590 77468 88831 malate 6509352 6063613 6760463 6358980 4379344 5745538 7100760 6934878 5210880 5464046 6400091 5351610 5824300 5924153 6128447 7279664 6522083 6525705 5174953 5822792 6087935 6438904 7100681 6977407 5853658 6400740 4860643 6175983 6437861 6113400 7965202 8203524 maltose 330440 328524 363524 314332 760664 677353 301898 283779 409905 471629 278770 268749 253926 310534 207089 285948 228198 240111 304837 203286 217844 231651 186408 233000 83844 341071 206035 204615 220442 127473 150014 250409 maltotriose 395898 255933 430357 244128 1180576 637543 201782 \N 617672 332684 98555 330707 449249 294533 210015 413710 109879 164254 170431 131127 116883 221875 \N \N 149192 105434 \N 215835 141709 \N 163438 296508 mannitol 92099 72911 71552 63360 80951 49351 62154 62291 \N 23452 54166 45671 97647 59315 63035 57137 39097 97814 42459 23730 38851 54340 67789 71907 \N 55631 27771 69685 33859 49545 53000 50463 mannose 1203808 803686 673213 511863 1046827 1552888 685758 658409 1146824 719889 513645 637813 804990 858683 723097 563672 619814 626980 551877 438988 543185 426927 553140 565843 417456 779267 544413 575846 621498 625996 440248 534545 mannose-6-phosphate 1303697 1106471 1135565 826594 2358428 2807506 975771 969844 1280016 1116145 897950 833071 917451 845762 933232 990298 967429 1019037 1070207 836232 805736 681938 774921 894392 816233 979728 896230 997493 994572 874337 878210 938191 methylphosphate 835896 822330 963405 974972 710859 785908 793314 964010 686348 757611 887419 665719 751025 637449 749218 1032108 1208140 1293121 1022023 1379408 1229598 934346 1583033 1091618 1041074 820571 1483982 1127135 1275260 1147246 1034111 1164982 myo-inositol 161381264 157046352 174725232 144747520 283765664 156678976 171340192 166697008 171629648 162518048 170579504 128009576 154252000 140726752 171952128 166170816 213049856 203408256 208691632 247335152 218601392 209063872 221214496 229610688 182622624 195963744 210856416 204561472 207030240 192339936 207147552 226357376 N-acetylglucosamine \N \N 60186 72119 \N \N 86915 44204 \N 102150 163948 \N \N \N \N \N 142925 150682 100438 108593 137821 109706 157968 155952 171258 135171 147627 141399 155305 92136 201055 178075 oleamide 1223946 138168 98315 313166 248869 652961 288776 105290 515451 177700 155419 129836 388687 582002 711669 161369 150797 170746 192644 136276 187186 250945 177932 204030 129768 136064 117026 155930 111536 94561 106865 151169 oleate (18:1n9) 2965856 3675029 3127718 3077030 2724369 2978937 3534767 3283871 2997863 3141323 3236005 2788890 3112499 3210286 3950648 2982440 4315314 3922921 3442607 4106806 4235489 4879668 4265644 3482240 4213400 4088076 3848175 3830838 3865780 4064041 4502697 4794728 ornithine 546121 764475 1447492 1675086 380528 622693 1115141 912390 437560 1548051 1182678 621502 624086 904024 844340 418034 831974 882861 539959 658139 894342 901126 907317 760717 603135 714436 772614 785025 624133 593657 841360 815117 oxalate (ethanedioate) 381354 313050 354708 450293 463155 276597 326365 258383 341179 127357 395166 376547 429554 293934 441607 347130 361654 283459 275748 265734 293444 318268 316417 319100 373612 329120 335562 284554 338419 243301 293649 263808 palmitic amide 14170040 5977214 5093746 6964796 6433116 8268279 6889911 5338427 8521444 5348396 5367308 4778722 7615305 10102806 10586567 6007630 6215008 5726608 5624503 5567428 6692938 6735402 6551435 5533185 5070322 6165601 5308756 5691356 5170479 5366892 5314395 6133541 palmitoyl sphingomyelin 2632892 2171824 1949256 2828764 1914014 2860609 2162248 1841208 2215072 2386268 2061621 2446030 2499660 2388982 2390644 2062386 1883066 1889587 1631900 1545965 1744311 1625612 1699240 1488605 1537896 1900384 1848923 1974111 1738169 2810162 1780620 1990595 phosphate 591875072 515458880 543295936 562460288 468004000 562961728 548621376 538734080 555507904 521197056 523229728 540049792 568574528 552040640 595338176 558838080 571859392 568775552 526387840 568855680 591894912 563113984 573556096 584523392 513504608 549294272 554292608 552219136 538911616 561440512 575237056 589534080 phosphoethanolamine 18841108 12897516 13430196 16681879 13805852 23155124 13509952 15208307 16150969 15517883 12029205 18436776 16158859 18444340 15891776 13579572 9003368 8350631 7931620 8172208 7432069 6789283 6796908 7596289 7670373 7104275 7078376 6181561 8867222 8928927 7651845 7913214 phosphoglycolate 99377 37146 56765 \N 51166 80460 46659 74443 44537 42643 15002 42448 55403 52591 80881 23752 65232 37228 31312 36624 48083 41585 53357 \N 47836 34177 30878 44046 46780 45016 64876 44245 putrescine 827340 960340 1072642 1050577 2452258 1708036 907952 833763 1287371 1203279 981074 997619 1250589 1138321 1025391 1209034 551768 484343 267163 190304 412066 514899 541399 389558 1856450 1406547 1426394 1246454 1233130 1335358 1351150 1802199 pyrophosphate (PPi) 5090472 6973518 4828363 7246215 5867887 6854541 5844656 4821340 7377783 7797725 3857982 2621786 6053145 5441817 8535918 6316874 6832675 7079152 4487857 8285063 8832842 9393136 9217831 4338578 7447145 6018707 8934186 9407405 7428203 729075 7329968 8134882 ribitol 196008 170733 190002 210617 199459 218415 163077 238694 180614 167694 231049 225022 187261 252456 185761 178243 239680 269707 163363 180543 225091 191869 231027 229192 152434 242578 171290 150490 180779 \N 191276 265882 ribose 379654 551726 471877 354114 218941 366955 391942 629824 397308 471674 327746 394799 503241 408140 407196 398979 716134 576004 556453 441922 472693 357992 557581 586585 386796 655319 402914 523556 533252 680543 510270 476195 ribose 5-phosphate 479961 502246 472422 481289 446381 672119 601967 773479 498724 827484 371931 269950 438911 424518 458298 507918 766431 798421 913391 930646 639687 444625 775587 948844 375396 863304 502897 778954 903116 443330 723192 845118 ribulose 47491 49486 45613 25271 39276 49533 33760 33365 49642 33796 37874 38465 18403 35415 28187 35616 40527 51159 50928 32857 41180 35077 42530 61342 29710 55926 38942 53689 49305 52390 47716 52225 ribulose/xylulose 5-phosphate 931610 954927 1195516 654144 1012830 1692231 989778 917260 967295 1182440 720213 546221 734710 803634 749281 831183 895248 1239225 1085803 1354589 1112960 987574 954782 1092728 831981 1382622 1117461 1156171 1262221 834912 1118936 1289563 sarcosine (N-Methylglycine) 196853 303712 258915 249817 252780 261690 212914 243298 244931 240000 285649 313988 205507 271373 263064 256176 261290 276256 176401 288865 297419 263732 282343 239206 219747 371503 233384 264597 226308 260550 190660 306595 scyllo-inositol 1112865 1205579 1123232 1029542 1469057 1077012 1316651 1109116 1216282 1424355 1154062 787696 933079 926513 1417534 1168493 1202878 1434850 1576628 1604777 1907902 1332490 1370858 1284763 1353323 1437612 1890567 1398248 1758171 1136130 1589435 1547381 sedoheptulose-7-phosphate 76701 71322 86511 72000 161328 195743 85603 79331 80407 68763 69018 41019 63639 69934 80649 57840 82828 66273 78964 49684 78939 77497 32447 97536 64184 75059 63850 66866 58556 86807 66299 112706 serine 39541884 38021360 40213056 41610728 29935046 48919780 36478308 38426756 45515688 39161916 33011468 35955764 42232228 42884248 41852024 37832528 23872942 21309836 17519628 20576156 19805998 21425120 26097792 22998040 28219100 27498748 26398332 23851548 25378882 25803876 24722724 26073118 sorbitol 182226 197538 317995 256620 268969 156095 208915 257490 285548 356009 407449 209391 223611 164062 253959 180119 453569 270214 475863 444433 410416 316640 332169 371864 328284 240867 323544 350212 350072 251919 298073 298262 stearamide 11137460 2073637 1635785 3262723 3868888 7632087 2558722 1551352 6246965 1823280 1596379 2289389 4218384 5318076 6303894 2267782 1527094 1725396 1959052 1426537 2034544 2728354 2070888 2030523 1151440 1840309 1424549 1732177 1371513 1137178 1078514 1562968 stearoyl sphingomyelin 15035220 19692260 13688167 16808696 13408535 14000259 15657959 14689756 16788690 13587543 14594580 13480045 14505291 12385712 14410606 13565567 19216044 17134078 16193019 15280574 18744376 19729820 18932794 12919114 13338084 15656844 20102078 20611764 12160046 16893410 13280657 15036281 taurine 2900637 3037487 3388086 2863469 3574917 2976829 3180573 3103306 3189432 3611819 3001410 3067918 3339857 2806622 3178013 2960447 2321311 2490663 1578150 2047850 2405722 1973593 2141961 1963376 2010985 2041405 1931891 2029593 2391930 2000598 2002519 2469815 trans-4-hydroxyproline 1341460 1446556 1252297 1560965 746120 1346438 1071166 1045093 1661714 987093 987005 1244069 1299411 1468516 990106 1320203 517008 453405 574870 430075 458547 457850 370544 483929 463484 502344 491155 308429 433691 424395 513069 405859 trizma acetate \N 22529 10652 \N 123461 \N \N 455111 \N \N \N 234181 580216 \N 65133 674998 \N 11135 33110 \N 113226 \N \N \N 75637 \N \N 1020445 98410 \N \N 3713 UDP-galactose 194164 128809 136531 169584 64610 92900 179967 130155 126656 169107 65237 105914 147983 126766 198547 132412 66592 114835 113022 127197 120732 143950 131129 125960 119842 99548 73747 99663 109129 \N 102238 146730 uracil 2574463 2120159 2009904 3011031 2185388 2700976 2142215 2465501 2414840 2318311 2287505 3502327 3421750 2926558 2823478 2084168 2243403 1485667 1234844 1019336 1636291 1434310 1537987 1694336 1758196 1494508 1133599 1765908 1497316 1830463 1838288 1728891 urate 47809 32577 100020 42649 13923 28719 45599 40128 25894 65361 46513 68972 33321 54287 97060 24902 54566 45589 32033 43327 81184 43223 44700 43191 104860 137345 64930 74096 69709 71822 129035 138038 urea 11008974 12156972 13251821 12383847 27810632 16087557 10961337 10629472 9979662 13353973 11212812 13619030 13744317 12924200 12977041 10072325 13258688 11235182 7201285 11523461 8035317 7622405 8938207 8494010 13206826 10890240 7331441 12485390 9498991 18458300 12412977 16521427 xylonate 187330 34038 51752 125115 70815 51203 67696 92366 52618 38635 68938 69168 132846 57144 98604 109422 90096 96286 89807 55138 96196 81284 109927 74001 104223 40057 94355 56220 69703 107770 66157 74092 xylose 86890 63872 47548 64487 \N \N \N \N 68176 76832 78185 101922 60818 88247 81127 98355 108547 64970 104616 41204 54596 \N \N 115829 43372 43545 56206 \N 319311 \N 56817 \N xylulose 22851 20931 32990 17003 29043 57989 13603 21453 22787 35469 28538 11093 12309 31882 \N 38438 18193 24403 43315 16263 19315 \N 42316 18362 17658 20593 34136 32056 40017 21340 20564 15559 metabolite_name retention index quantified m/z PubChem ID KEGG ID 1,2-dipalmitoylglycerol 2600 313.3 99931 1,3-dihydroxyacetone 1349 306.1 670 C00184 1,3-dipalmitoylglycerol 2637 371.3 68149 1,5-anhydroglucitol (1,5-AG) 1788.7 217.1 64960 C07326 1,6-anhydroglucose 1679.5 204.1 2724705 1-palmitoylglycerol (1-monopalmitin) 2119.5 371.3 14900 1-stearoylglycerol (1-monostearin) 2186.6 399.4 24699 D01947 2-aminoadipate 1686.5 260.1 469 C00956 2-aminobutyrate 1215.7 130 439691 C02261 2-hydroxybutyrate (AHB) 1169.4 131 440864 C05984 2-hydroxyglutarate 1576 247 43 C02630 2-oleoylglycerol (2-monoolein) 2170 410.1 5319879 2-palmitoylglycerol (2-monopalmitin) 2108 129 123409 2-pyrrolidinone 1190.9 142 12025 3-hydroxybutyrate (BHBA) 1203.5 116.9 441 C01089 3-phosphoglycerate 1754 357.1 724 C00597 3-phosphoserine 1777.6 356.1 68841 C01005 5,6-dihydrouracil 1505.2 243 649 C00429 5-hydroxyindoleacetate 1983.2 290 1826 C05635 7-alpha-hydroxycholesterol 2300 456.2 107722 C03594 7-beta-hydroxycholesterol 2340 456.4 473141 adenine 1804.2 264 190 C00147 alanine 1147.6 115.9 5950 C00041 allantoin 1809.8 518.3 204 C02350 allo-threonine 1417.8 219 99289 C05519 alpha-tocopherol 2305.4 502.5 14985 C02477 arabinose 1631.6 217 66308 C00216 arabitol 1687.5 307.1 94154 C01904 ascorbate (Vitamin C) 1850.1 332.1 C00072 aspartate 1529.7 232 5960 C00049 beta-alanine 1451.8 174 239 C00099 campesterol 2353 343.4 173183 C01789 chiro-inositol 1857 318.1 C19891 cholesterol 2316.9 329.3 11025495 C00187 cis-vaccenate (18:1n7) 1987 339.3 5282761 C08367 citrate 1763.4 273.1 311 C00158 cystathionine 1979.6 218.1 439258 C02291 cysteine 1560.1 218 5862 C00097 cysteinylglycine 1763 240.9 439498 C01419 dehydroascorbate 1800 245.1 835 C05422 desmosterol 2329.1 327.3 439577 C01802 dimethylglycine 1030 57.9 673 C01026 erythritol 1517.5 217 222285 C00503 erythronate* 1546.9 292.1 2781043 ethanolamine 1304 174.1 700 C00189 fructose 1758 217 5984 C00095 fructose-6-phosphate 1994.9 315.1 69507 C05345 fumarate 1382.1 245 444972 C00122 gamma-aminobutyrate (GABA) 1539.7 304.1 119 C00334 glucarate (saccharate) 1885.8 333.1 33037 C00818 glucose 1866.8 217.1 79025 C00031 glucose-6-phosphate (G6P) 2042.7 387.2 5958 C00668 glycerate 1360.7 189 752 C00258 glycerol 1311 205 753 C00116 glycerol 2-phosphate 1691.8 243 2526 C02979 glycerol 3-phosphate (G3P) 1719.7 357.1 754 C00093 glycerophosphoethanolamine 1906 357.1 123874 C01233 glycine 1166 101.9 750 C00037 homoserine 1471 218.1 12647 C00263 hypotaurine 1598.5 188 107812 C00519 inositol 1-phosphate (I1P) 2057.8 318.1 440194 C04006 inositol 2-phosphate (I2P) 2072.9 318.1 C01177 inositol 4-phosphate 2052 318.2 440043 C03546 lactate 1102.8 116.9 612 C00186 lanosterol 2388 393.3 246983 C01724 lathosterol 2337 255.2 65728 C01189 lignocerate (24:0) 2211 425.4 11197 C08320 malate 1502 233 525 C00149 maltose 2142.1 204.1 10991489 C00208 maltotriose 2419 204 439586 C01835 mannitol 1839 319.1 6251 C00392 mannose 1753.5 204 18950 C00159 mannose-6-phosphate 2035.9 387.2 439198 C00275 methylphosphate 1221 241 13130 myo-inositol 1924.9 217 892 C00137 N-acetylglucosamine 1903.3 245 24139 C00140 oleamide 2062.5 338.3 5283387 C19670 oleate (18:1n9) 1984.4 339.2 445639 C00712 ornithine 1763.8 142 6262 C00077 oxalate (ethanedioate) 1175.1 190 971 C00209 palmitic amide 1995.1 131.1 69421 palmitoyl sphingomyelin 2524 311.3 9939941 phosphate 1307.7 298.9 1061 C00009 phosphoethanolamine 1577.3 299.1 1015 C00346 phosphoglycolate 1594 357 529 C00988 putrescine 1705.8 174 1045 C00134 pyrophosphate (PPi) 1642.3 451 644102 C00013 ribitol 1692.4 217 6912 C00474 ribose 1639.2 204 5779 C00121 ribose 5-phosphate 1928.4 315.1 447634 C00117 ribulose 1662 306.1 151261 C00309 ribulose/xylulose 5-phosphate 1935 357.2 C00199 sarcosine (N-Methylglycine) 1182.9 116 1088 C00213 scyllo-inositol 1893.8 318.2 892 C06153 sedoheptulose-7-phosphate 2070 691.35 616 C05382 serine 1389.1 204 5951 C00065 sorbitol 1843 319.1 5780 C00794 stearamide 2071 131 31292 C13846 stearoyl sphingomyelin 2645 311.3 6453725 C00550 taurine 1616.4 254.1 1123 C00245 trans-4-hydroxyproline 1537 140 5810 C01157 trizma acetate 1525 306.2 6503 C07182 UDP-galactose 1973 243.1 18068 C00052 uracil 1370.4 241 1174 C00106 urate 1928 441.2 1175 C00366 urea 1223.9 171 1176 C00086 xylonate 1722 292 6602431 C05411 xylose 1723.9 204 135191 C00181 xylulose 1668 306.1 5289590 C00310