Metabolite_name RefMet_name 1 18 19 2 20 22 23 38 39 40 7 13 32 10 8 9 31 35 29 11 16 17 24 25 26 3 30 33 36 37 4 5 12 14 15 27 28 34 21 6 Factors - Sample source:blank | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Time:- | Additional Adjustments:- Sample source:blank | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Time:- | Additional Adjustments:- Sample source:blank | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Time:- | Additional Adjustments:- Sample source:blank | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Time:- | Additional Adjustments:- Sample source:blank | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Time:- | Additional Adjustments:- Sample source:blank | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Time:- | Additional Adjustments:- Sample source:blank | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Time:- | Additional Adjustments:- Sample source:blank | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Time:- | Additional Adjustments:- Sample source:blank | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Time:- | Additional Adjustments:- Sample source:blank | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Time:- | Additional Adjustments:- Sample source:blank | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Time:- | Additional Adjustments:- Sample source:polyI C -3 swap | Developmental Timepoint:E14.5 | Maternal Treatment (injection):polyIC | Collection Time:48 hours | Additional Adjustments:- Sample source:polyI C 3 swap | Developmental Timepoint:E14.5 | Maternal Treatment (injection):polyIC | Collection Time:48 hours | Additional Adjustments:diluted to lowest concentration in the set Sample source:polyI C | Developmental Timepoint:E14.5 | Maternal Treatment (injection):polyIC | Collection Time:48 hours | Additional Adjustments:- Sample source:polyI C | Developmental Timepoint:E14.5 | Maternal Treatment (injection):polyIC | Collection Time:48 hours | Additional Adjustments:- Sample source:polyI C | Developmental Timepoint:E14.5 | Maternal Treatment (injection):polyIC | Collection Time:48 hours | Additional Adjustments:- Sample source:polyI C | Developmental Timepoint:E14.5 | Maternal Treatment (injection):polyIC | Collection Time:48 hours | Additional Adjustments:diluted to lowest concentration in the set Sample source:polyI C | Developmental Timepoint:E14.5 | Maternal Treatment (injection):polyIC | Collection Time:48 hours | Additional Adjustments:diluted to lowest concentration in the set Sample source:polyI C | Developmental Timepoint:E14.5 | Maternal Treatment (injection):polyIC | Collection Time:- | Additional Adjustments:- Sample source:pool | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Time:- | Additional Adjustments:- Sample source:pool | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Time:- | Additional Adjustments:- Sample source:pool | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Time:- | Additional Adjustments:- Sample source:pool | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Time:- | Additional Adjustments:- Sample source:pool | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Time:- | Additional Adjustments:- Sample source:pool | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Time:- | Additional Adjustments:- Sample source:pool | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Time:- | Additional Adjustments:- Sample source:pool | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Time:- | Additional Adjustments:- Sample source:pool | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Time:- | Additional Adjustments:- Sample source:pool | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Time:- | Additional Adjustments:- Sample source:pool | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Time:- | Additional Adjustments:- Sample source:pool | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Time:- | Additional Adjustments:- Sample source:pool | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Time:- | Additional Adjustments:- Sample source:saline | Developmental Timepoint:E14.5 | Maternal Treatment (injection):saline | Collection Time:48 hours | Additional Adjustments:- Sample source:saline | Developmental Timepoint:E14.5 | Maternal Treatment (injection):saline | Collection Time:48 hours | Additional Adjustments:- Sample source:saline | Developmental Timepoint:E14.5 | Maternal Treatment (injection):saline | Collection Time:48 hours | Additional Adjustments:- Sample source:saline | Developmental Timepoint:E14.5 | Maternal Treatment (injection):saline | Collection Time:48 hours | Additional Adjustments:diluted to lowest concentration in the set Sample source:saline | Developmental Timepoint:E14.5 | Maternal Treatment (injection):saline | Collection Time:48 hours | Additional Adjustments:diluted to lowest concentration in the set Sample source:saline | Developmental Timepoint:E14.5 | Maternal Treatment (injection):saline | Collection Time:48 hours | Additional Adjustments:diluted to lowest concentration in the set Sample source:technical mock no CSF | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Time:- | Additional Adjustments:- Sample source:technical mock no CSF | Developmental Timepoint:- | Maternal Treatment (injection):- | Collection Time:- | Additional Adjustments:- "1_4-BUTANEDIAMINE" Putrescine "1_4-BUTANEDIAMINE_13C4" Putrescine 1-methylnicotinamide 1-Methyl nicotinamide 32252120 24877493 27190821 36598024 37918951 5863742 36338040 2515984 11852738 36360977 53531766 42433855 44970419 "2_3-BPG_unc" 2-aminobutyric_acid 2-Aminobutyric acid 2-hydroxybutyric_acid 2-Hydroxybutyric acid 255436 8313348 7533305 11980770 13331711 3423600 11730634 1117636 642347 3046175 12227614 20741831 13227127 11654270 21773524 2-hydroxyglutarate 2-Hydroxyglutaric acid 2-oxoadipate Oxoadipic acid 47347 3278548 49441 854363 725871 674698 939136 743195 528408 233060 876981 779908 891609 393787 1486315 1622923 603210 1078347 1231524 974314 883428 772746 419981 1124508 463664 616448 821699 2-oxobutyric_acid_unc 3-hydroxybutyric_acid 3-Hydroxybutyric acid 313588 6401406 41405761 6882600 12253442 7322734 41068219 42792909 10638953 7044426 28189030 578810 39569112 28612003 26858689 2458286 8836347 16358524 12827632 35724713 43878779 17380117 3-hydroxyisobutyric_acid 3-Hydroxyisobutyric acid 27861485 28309029 15614647 23379978 508676 24257590 25253637 2071467 8769998 25509758 15536160 19193602 32034098 3-methyl-2-oxopentanoic_acid 3-Methyl-2-oxovaleric acid 24868395 11623146 24954654 25171586 31058569 10745474 10559067 20494790 26947196 3004548 25949355 2413234 10160552 1429097 11419131 8447222 7131151 7989875 27897753 26591165 30016224 27943356 11721426 18211195 9305770 233317 3-phosphoglycerate 3-Phosphoglyceric acid 3-ureidopropionate Ureidopropionic acid 15944044 242317 12592642 21649262 17128943 56677 44007 162597 16712550 2507296 13591475 140463 2000496 112874 145603 6834509 16398884 17603367 15232463 16221954 46316 50260 4-Hydroxyphenylpyruvic acid 4-Hydroxyphenylpyruvic acid "5_10-CH2-H4PteGlu" "5_10-CH=H4PteGlu" 5_10-CHO-H4PteGlu 5-CH3-H4PteGlu 7274197 4378275 6845865 5919754 6607415 753225 5922905 700073 2389682 7071430 7918900 6644896 5862383 6-phosphogluconate 6-Phosphogluconic acid acetoacetate Acetoacetic acid acetylcarnitine CAR 2:0 46786 89597 290976 1100317502 641654265 1457907620 1152675614 1295902053 624930305 452732130 810606524 1130079827 208198932 1170279027 93238877 303533625 995047440 147951748 1073862123 315285801 95045786 904204158 428337284 1110260106 831748119 1031447448 1053267145 528891787 676667453 193553202 Acetyl CoA Acetyl-CoA adenine Adenine 724593 83648 2575632 2571562 1227201 1960469 2290228 3615146 2518275 2617984 1502719 837615 4130046 4151278 810143 2244418 1189233 574326 1426724 3089593 2288335 adenosine Adenosine 129516 56315 43564 11186817 179603 3330044 3738453 5266003 403057 2311651 92214 7343263 870488 8015340 88791 551825 1756810 840499 1612785 315770 53587 1362288 2304801 6472911 8291060 9929075 3272020 2269246 84060 169561 671086 ADP ADP 171200 87318 29573 44801 39519 41017 ADP-ribose ADP-ribose AICAR AICAR alanine Alanine 2056544 316117104 272222130 334012385 384356034 390628483 219571493 138754173 383503926 350620061 74842808 342641006 31424600 126254185 353949174 58837841 363283156 107387552 18472270 215013194 162319711 346607977 356742543 342097558 368803735 328889938 326793941 107356624 762137 alanine-13C3-15N Alanine 25344031 8628103 8919703 6344937 8237888 6632686 4577932 2320872 7858787 7116537 849654 6880175 523918 3128664 9834572 689263 10172259 3902009 348859 5289058 2474899 6898252 7386867 8725609 5858148 5426571 8256431 3158807 13428002 15762962 allantoin Allantoin 19911533 2999629 14854929 21344842 18539680 1610992 1419477 2854795 18904335 5655401 18259456 691183 2216807 4216108 4678145 4477756 2595286 485514 2393241 10143643 19172298 21149126 19667042 19585782 2468153 2637202 2398892 Alpha-Ketoglutarate 2-Oxoglutaric acid 5088483 16980665 "ALPHA-KETOGLUTARIC ACID_1_2_3_4- 13C4" alpha-keto-isovalerate Ketoisovaleric acid 5913438 1819266 5667064 6002802 7142933 1724703 2058439 3656690 6263470 6203927 1379071 1640681 6687947 5423550 6525908 7598965 2043101 3599495 Alpha-Lipoic Acid_unc amidoadipate AMP AMP anserine Anserine 2929078 2518043 3174048 2906269 3091002 2793818 1483637 3490550 3027580 201263 2286179 556410 1204413 133826 1371557 488263 801054 538544 2194240 2488312 2131265 1597697 1604712 2167072 740907 anthranilic_acid 2-Aminobenzoic acid arginine Arginine 412367 30572 63382 7987599 2896971960 1726566095 4547983431 3483532774 4179706064 2010961664 980119365 2306672232 3716869194 1200683630 3185532665 268363658 888039043 2024266608 1177786691 1986663417 563827813 120593712 724011782 2253198681 3898180331 3449011134 3018964521 3603098178 2163975503 2021277931 711805399 1130305 3256954 arginine-13C6-15N4 Arginine 126711 936922413 583401199 342291595 396906615 560793755 425347804 172333267 96195997 366132227 499282936 160087530 427106254 55624627 187907675 437327155 155017696 428675018 118835710 24733312 151009720 298694837 523825065 549906090 542083769 396355362 232386934 357838735 111690317 556077215 1379999798 argininosuccinate_unc 37670798 63446497 48205443 54934788 12571619 51725263 5038149 48277692 4247653 13694587 14131037 60311088 41857036 47793538 52869659 ascorbate_unc 6699565 15198566286 12642735825 14698930243 13303695099 140614448 14287191940 4271875648 13911392344 3339044792 945779 6814639360 14137910587 15185316061 15777343580 13662516770 15912989 13359049264 asparagine Asparagine 53868 68995716 34416365 123588864 90341032 123492216 35945317 16284741 51522191 112308192 3199968 100757789 1206863 7547199 32808322 2419673 32134436 14042491 848740 17569145 109065741 142458209 116809855 107110237 42800685 53713756 25710691 180107 329978 aspartate Aspartic acid 1100670 335172 2882972 1074675 2116152 1716527 482445 2058213 152254 166615 382782 644777 2335615 1401100 1326969 927063 610070 441780 aspartate-13C6-15N4 Aspartic acid 26537797 6517062 10557393 5227190 6456569 5765102 7186210 4732145 11100655 5741424 1169868 6365294 1391559 4795874 14708920 826753 15246034 9143359 859421 8284149 2083760 6347140 7076486 6754864 5692916 7906751 10541554 7127721 9526647 6154341 asymmetric dimethylarginine Dimethylarginine 493073095 134499285 717256689 630501539 776078583 140067855 94700255 221484747 739765565 140286750 728443389 20219487 63810587 188754966 93198382 192304831 42220075 9236177 82784650 285635070 778871236 874454782 720767920 824893063 211494808 245511500 59383988 ATP ATP beta-alanine beta-Alanine 919064 2102659 872319 1255393 2228801 1885917 350035 1646483 1628067 1344689 265607 175374 2030081 1600853 3233991 1537768 682664 426525 1295602 betaine Betaine 7410992 7585311 9552232 8643581 14945931 17509950 7387313 6282729657 5811976922 6940198714 6371427509 7069957823 5035105573 3120625613 6707331248 6590894565 1727645681 6570574928 662233399 2252196704 7517808146 1300228865 7641157743 2226287689 613429323 5531439673 3314806590 6509510790 6731201022 5993292680 6920701377 6326789641 6055902786 2049065413 9697174 biotin Biotin 8609073 18164079 8038573 9357483 10634619 13596720 10599549 20550343 8826882 659604 7521700 1109934 5770582 21493696 519552 22655127 5964055 949577 13628836 1692357 8444636 7057325 8180659 9205836 19513011 15265468 4696911 Butyrylcarnitine CAR 4:0 149374038 71292138 229023438 158599857 205200115 81505757 59828102 87499497 170369692 24095420 172084380 7043132 22796816 88429386 16278544 92827064 29586930 7207566 92094038 56394746 168498596 126553812 149857975 173561912 63707985 80022288 21496399 C5 Carnitines 46567457 24736782 82505678 42050794 61773115 30292736 16959938 24220435 50491173 6524362 50280214 1435351 9539154 35985275 4892335 37793843 11258222 2777473 45235655 16523987 50298700 36017009 47414645 50263040 19854235 25552795 5536330 cAMP 3',5' cyclic AMP carnitine Carnitine 835860 3570667231 2111591781 5464145672 4295898000 5217057185 2149794592 1363108742 2786128262 4513006024 836295478 310125781 1049043163 3296641659 604336214 3492970546 1079161834 253555022 2838516064 4469732730 4336107637 3930461308 4393830836 2064701494 2486227048 791670529 1227592 carnosine Carnosine 3584443 2443355 3120487 4745830 5117707 1338837 1268127 3550361 3372881 322143 3161190 40762 699006 2367191 193177 2786023 787370 1344244 757620 3444745 3302742 2889152 3365736 2050678 2272167 741658 CDP CDP CDP-choline CDP-choline Chenodeoxycholic acid Chenodeoxycholic acid Cholic acid Cholic acid choline Choline 3602544455 3153643873 3303788962 3822980689 337912 1347228 3463393394 465674360 3572193047 264584 328696997 597357 1075533263 3411841846 3793566433 3239575312 3500914928 1014159 cis-aconitate cis-Aconitic acid citrate Citric acid 15420690 1484947068 771888005 609732353 1610255147 26504253 317017412 1327317460 1452671983 305252955 44912783 448887785 1048492233 1630389533 332736620 18015318 "CITRIC ACID_1_5_6-CARBOXYL-13C3" citrulline Citrulline 618213 1868755 635385 548825 149064 77757 687697 185162403 135204433 188421924 223884364 242631409 83313928 69384032 179425044 208258367 32882552 167759463 7518915 38216837 176587552 29142433 179831430 57416367 5426423 97205362 79865461 206349499 216834038 170121943 180070693 105732169 134250853 60293268 1047943 CMP CMP CoA-Ellmans_unc Coenzyme A Coenzyme A creatine Creatine 87181 124803 75422 37184 8853758556 8852132465 8388745365 9802994897 9979017687 6141260074 11466094878 9468704303 2419788419 9063882339 1226280438 4292369211 11480268866 1817827385 11701245283 695599196 7228434505 8990425237 10248292158 10441770785 3121478301 1821219 creatinine Creatinine 447451867 428301839 398866009 291424076 227612038 605539543 55001788 382679042 174199727 554817873 569462378 144597398 349360012 134756619 389591563 423001737 438616596 510261114 176231535 CREATININE_N-METHYL-D3 CTP CTP Cys_Ell 28253 Cys_Gly_Ell cystathionine Cystathionine 14894 19879 cysteic_acid Cysteic acid cysteine_13C3_15N1 Cysteine cysteine-glycine Cys-Gly cysteine_unc cystine Cystine 5888273 8559777 10887680 11211088 135845 9055011 799067 8480194 104351 66046 692354 2337223 8921857 9873140 7083455 11253278 cystine-13C6-15N2 Cystine 5887127 24428024 28293533 16976070 26068049 20289189 12327210 8490215 26378387 21454636 2036824 20271087 337166 1532893 10384293 1277963 10828682 5634644 282316 5495316 5024295 21134269 24293768 22881538 17728097 15863130 24832509 15159691 35997972 24960768 cytidine Cytidine 362316 92807292 189066556 85687177 94196764 118713799 143048286 113295494 216826997 91498138 8959266 79283566 13065961 62869261 221969993 6324947 234918373 61970283 10846070 143789840 21108380 90115578 73525650 83335048 99934944 201755323 163218699 48689585 42688 cytosine Cytosine 163667310 176765836 149111843 171375528 205150473 129920518 98886045 215197550 159245993 16696066 144998014 9563021 52341609 216469517 9820270 49427770 8831390 131902298 36099447 159662893 128131405 149128353 180586897 188246128 149370189 38210284 dATP dATP dCTP dCTP dCytidine Deoxycytidine 369346 1010139 55108 Deoxycholic acid Deoxycholic acid dihydroorotate 4,5-Dihydroorotic acid dihydroxyacetone_phosphate Dihydroxyacetone phosphate dimethylglicine Dimethylglycine 65508396 56190742 46810848 66417278 64104089 39079137 37248622 98644288 60205179 7690256 54721577 34353353 5847563 88178223 13767047 6463235 63637470 19473969 61500599 64033813 51778755 63323289 79992139 66816406 12089327 dTMP dTMP dTTP dTTP 1096666 dUMP dUMP erythrose_4-phosphate_unc "ETHANOLAMINE_1_1_2_2-D4" F6P_G1P 156360 199994 74092 297989 35621 100659 115014 76764 32851 102452 236879 111708 FAD FAD folic_acid Folic acid formyl_methionine N-Formylmethionine 1403570 79638 1263352 1656615 248276 1362915 129517 89400 42539 348833 1555131 233687 fructose Fructose "Fructose 1_6-bisphosphate" Fructose 1,6-bisphosphate fumarate Fumaric acid FUMARIC ACID_13C4 Fumaric acid gamma-aminobutyric_acid gamma-Aminobutyric acid gamma-glutamyl-alanine gamma-Glutamylalanine GAR GAR GDP GDP glucose Glucose 120109635 19833329 78744903 49000413 56841055 10100688 7581589 19967710 112951280 5624812 114618452 3426075 7106504 14167267 14279173 6947019 1354904 7224869 22415221 63301432 141385331 78092809 105840310 16417088 27850989 15068427 Glucose 6-phosphate Glucose 6-phosphate 148874 63631 200987 173437 165772 37629 74092 297989 156729 110996 35621 53089 36181 76764 32851 113786 118279 133769 87819 36647 236879 111708 glutamate Glutamic acid 80193 37920 1120528 123506 302531 4989129 5630471 8614779 4727544 5737424 11564731 4244636 7541229 5195569 964918 5628645 839978 2312318 6672338 708577 6798262 4248049 510851 4052087 1655736 5216831 3110606 5339914 3582455 4469663 8147947 2872961 559205 604416 "glutamate-13C5_15N" Glutamic acid 23694839 5873479 10437500 5157482 6221497 5046480 7021645 4602658 10501655 6163691 822263 5754889 1588285 5353243 13437049 542045 14330580 9279865 928729 8583634 1926581 5812886 7408376 7323504 5485465 7642064 10835439 7132987 10266971 5270666 glutamine Glutamine 53775 2410949 42890 2513636563 2314740978 2762007158 2732589986 3011827759 1908962482 1266209898 2684408731 2886204176 519450900 2535582059 229472987 968209522 2471511838 418291618 2484383795 923530283 160414521 1606666527 1123714100 2810134071 3477763378 2890312358 2515255973 2233814743 2656509868 1294440942 1340053 glyceraldehyde_3-phosphate Glyceraldehyde 3-phosphate 1539315 1458406 1439035 2135522 1680041 1248933 1455111 1224537 1191268 1221103 glycerate Glyceric acid 190620600 490792624 1562102 392010271 421039124 420906000 1217106 12827441 19446543 442428723 85628594 431488874 2272387 11517184 41302936 64715429 26646326 2043460 79101683 185481333 461357315 492288870 496772874 427159887 1430395 22845290 8118763 370585105 Glycerol 3-Phosphate sn-Glycero-3-phosphate 2621828 2537565 2749637 2985200 2610975 1619230 1075325 2250694 2648425 2578232 127520 507734 1635310 1669890 1522433 62060 1177894 2731228 2571530 3002693 2452339 1696289 2242187 1889698 Glycerophosphocholine sn-Glycero-3-phosphocholine 236148 223576 448211 91548 345873 3562125 845598 551898 274553 84523 214666 205213586 358479102 206084252 244879739 207004898 201637629 125308017 435867300 194181211 27655281 167837739 13339939 76255432 325155010 20752554 375236760 97609077 8486829 218557183 68686863 188364194 164280000 171580480 161928205 234205441 306458887 86134955 3128600 266473 glycine Glycine 665850 1561533 439490 2781309 2500172 2675684 529336 222064 704821 2257138 55263 1966009 186121 926735 60289 729314 323889 393440 258014 2218089 1863568 2158562 1902228 420448 458686 271821 197104 64524 glycine_13C2-15N Glycine 1146658 1838464 537649 1330750 2077984 1825801 178614 124268 385001 1666140 1706417 126433 580097 505883 200264 270426 176278 1536985 2033320 1783502 1403472 311910 410556 227892 532614 1094012 GMP GMP 59251 65253 49188 GSH Glutathione 20534541 47816705 13657540 35053474 27042199 1705078 26606221 526476 6877551 21747310 36887678 33746880 7947983 GSH-13C2_15N Glutathione GSH_13C2-15N-Ellmans Glutathione GSH_Ellmans GSSG Oxidized glutathione 1157793 1922208 1401069 1693772 1233248 81948 1142482 293498 1246220 833535 958418 1354701 GSSG-13C4_15N2 Oxidized glutathione 3628426 3417871 2053479 2566585 3887647 3264697 1023852 924469 1821758 2839058 243009 2984380 499976 1895975 166305 2074485 1189973 1365585 944461 3119297 3377763 3158397 2846389 1199339 2023622 1225806 2226539 3636894 GTP GTP guanidinoacetate Guanidoacetic acid 17710217 7830593 51911637 31622560 39265913 13366049 8443022 15309028 31809763 2346484 29949659 734360 4214927 15402435 1999589 16514019 3352015 459380 8060290 6862691 31676076 25714893 21960082 34414600 13379850 10280775 2472492 guanine Guanine 53547 90934462 76974648 78682414 84301609 94020716 50685103 35010337 78423662 80635156 16736008 76739834 8517145 21826306 59091953 12349423 61448648 22088196 3929562 35225498 33220006 76016560 70425454 83033661 79265721 64432237 81552895 24205832 71244 guanosine Guanosine 1884241 3713503 1849173 1643862 2012929 3654531 1668568 83637 1628204 3300219 3298248 1171453 1962137 391666 1458778 1153837 2553631 3182272 GUANOSINE_15N5 Guanosine H2PteGlu H4PteGlu HIAA Hydroxyindoleacetic acid 121598 histidine Histidine 586034 2121485 394371 8733732 1451418518 662002671 2442821991 1849489831 2433290524 1033702852 631999849 1106469203 2054003194 315559213 1851140325 79728434 351757438 929560440 217298361 946154650 267034230 42969343 586536285 687802286 1966698376 2280829393 1893962363 1832687446 974327537 1054412989 417255288 9042290 histidine-13C6-15N3 Histidine 47832 591582 317854413 197527809 231214853 292611212 262519420 107951783 73132045 22510965 280519667 511394 264628264 6265115 30270932 85528990 214482 105279 21796531 4084136 1019703 265511507 328861605 320200686 262221214 243929 196131294 60338814 278511399 homocitrulline Homocitrulline 22357544 18662338 26525309 36856109 33679433 4848108 30097197 3387984 11658204 31972029 53339786 29531079 28644422 26138991 homocysteic_acid Homocysteic acid homocysteine Homocysteine Homocysteine sulfinic acid Homocysteinesulfinic acid hydroxyproline_gammaALA 157550 17796689 11111663 15414014 24264971 25314268 7789292 8315391 15421699 21776927 2963021 21405927 1937466 4885706 13094606 2328985 14058050 8822541 8864643 6936260 20595441 25664351 19984159 21200462 11438324 12892421 10224666 88211 86163 hypotaurine Hypotaurine 865705 1959778 1560641 942177 98478 1328954 1062276 134515 1332720 798473 1172283 832555 hypoxanthine Hypoxanthine 202619 713747869 559918289 662677922 730469522 821996860 92217160 595931974 180380647 598129238 150177166 24498682 1148824947 141198827 1171479496 608271277 468946767 531132330 599455287 1048851336 80339736 390271570 HYPOXANTHINE_13C5 Hypoxanthine IMP IMP INDOLE-3-ACETIC ACID Indoleacetic acid INDOLE-3-ACETIC ACID_PHENYL-13C6 indolelactate Indolelactic acid 882587 412250 619967 684483 243148 900605 386696 80700 51171 707522 646634 478878 277684 inosine Inosine 6190552 18684112 5778808 6785519 5395559 11201277 6568476 17462732 5540948 1182131 4779723 2527210 5377307 17467618 997732 18546878 8245487 1192238 12091033 2342111 5872335 4083415 5763412 5511764 13805842 18686526 5062489 isocitrate Isocitric acid isoleucine Isoleucine 101615702 192911949 128582853 128237116 149875988 178814723 100231704 276548510 125035067 16049642 131795835 13116433 60241740 243757799 10757893 255387892 72044395 10934518 139919427 38282866 137934983 159820922 141641718 147823979 248073352 204508791 94345510 Isoleucine-13C6-15N Isoleucine 306150165 56469649 115230493 43017126 55998316 44189499 70463214 40077944 127140136 49533478 6894822 46698739 10974919 44414373 154716571 6271455 156261855 59373957 11091732 92807107 16788819 46270073 53797840 56499752 42630377 87721246 97746148 51677269 184753150 73567579 Itaconic Acid Itaconic acid 65847170 64932090 50221776 57475240 43419939 58380281 34181696 24365903 53525747 57931094 7455074 51752501 4703126 15411898 43028620 6513616 48850029 21417668 3330835 34202979 18514231 64343663 70588534 64046437 54599670 34023895 51015149 19740388 53387808 56244253 Kynurenic Acid Kynurenic acid 791907 2925875 821440 1346223 1471822 2269003 1852452 4051701 827047 314219 1183073 404595 1134622 4280184 4377483 1221070 3361950 791837 646278 794521 545830 807702 1723790 1794695 785979 kynurenine Kynurenine 21296845 24481700 23932994 27101708 29947096 21267262 16378036 42491214 25117902 2578955 24579343 1743447 6490293 22122621 1722140 23243953 8657858 1053752 13683691 6455898 23333602 24206634 21447702 19365562 21273808 26152430 14364219 lactic_acid Lactic acid 291751396 4584699895 243151599 277672591 259625829 3160486863 3290853260 5241619278 278806742 54398946 265355024 1575417952 4364256848 40327009 4609440309 4168365894 3432271136 112347766 270771528 300804361 311135965 270523578 4085256265 3876452381 2883561634 230848420 L-ALANINE_13C3 Alanine 25344031 8628103 8919703 6344937 8237888 6632686 4577932 2320872 7858787 7116537 849654 6880175 523918 3128664 9834572 689263 10172259 3902009 348859 5289058 2474899 6898252 7386867 8725609 5858148 5426571 8256431 3158807 13428002 15762962 leucine Leucine 258785355 226281806 344076874 279753494 369296658 263802053 196427104 305583424 322839095 31388711 325812215 21556214 84183562 294811097 21978297 305742503 115883075 16265116 213709724 81605114 318093251 341851574 311854367 345651624 287642802 285897711 145994616 leucine-13C6-15N Leucine 280976548 82323858 88538002 61511570 75241126 64099335 57062537 46115092 97451251 73164751 8214517 72114505 10506916 39703682 110370823 5875644 112816890 58628882 9524815 86921979 20605445 71323012 80687109 78228018 63208155 64746683 81672741 49649105 150677909 110152911 L-LEUCINE_13C6 Leucine L-PHENYLALANINE_RING-13C6 L-TRYPTOPHAN_13C11 Tryptophan L-TYROSINE_RING-13C6 lysine Lysine 740239754 657681224 1156354410 943632012 1201532277 677981536 815267175 1045550011 236990690 960589092 58267653 754673860 222065576 40448849 389309447 480278103 1075111098 1227553567 943457780 1042622129 lysine-13C6-15N2 Lysine 81764733 46562934 42524758 35804505 47480238 38265151 20690713 41909287 41784115 8892497 38304892 3403886 15861433 48419614 8366393 131568 20541638 2170250 24476433 18913560 43508415 43858055 44767334 34812642 41959956 18382891 42293682 106305946 Lythocholic acid Lithocholic acid malate D-Malic acid 1344344 83510554 1118524 2058063 2484314 80149946 71241281 56485966 106261772 28672270 64037072 122789653 119453091 33922505 11240963 65174519 113110986 95819954 24322700 18491588 malonyl-CoA Malonyl-CoA mannose Mannose 10390769 methionine Methionine 225865540 89504138 232686873 256076344 270838814 96263862 114610263 490949232 247984684 33166166 230013645 12375229 56720648 182201132 25251123 184662545 65635916 12725790 114558876 77806523 247091541 250176924 246218269 268639089 117695506 141298034 48861719 methionine-13C5-15N Methionine 31924657 53958643 20603480 40920725 55365241 44149366 16312303 18625692 108598328 49015851 5916018 45115579 2620831 12822851 41267144 4573013 42130955 14762614 2574127 25505210 14693093 48382019 54244081 52369091 43394446 18088888 29639016 10181935 2057785 64008097 Methionine sulfoxide Methionine sulfoxide 225127 160005143 1069420950 160148269 181731589 196104346 727219819 437034846 660125977 182429696 16333856 148815740 47073162 320568912 1088942372 11544138 1165934582 365741596 41479856 728743634 48065821 168107235 191679839 179655245 180997206 1096614681 1029745845 427541707 methylthioadenosine Methylthioadenosine 335345 938470 129682 484115 311963 726243 891520 2081288 143717 212176 46588 373720 1593605 1934741 324301 1282941 51728 312386 139989 251323 308054 987866 1159206 183133 MTX myo-inositol Myo-inositol N-acetylalanine N-Acetylalanine 7438913 N-acetylaspartate N-Acetylaspartic acid N-acetylcysteine N-Acetylcysteine N-acetylglutamate N-Acetylglutamic acid N-acetylglutamine N-Acetylglutamine N-acetylglycine N-Acetylglycine N-acetylmethionine N-Acetylmethionine N-acetylornithine N-Acetylornithine 1703632 1560075 N-acetylphenylalanine N-Acetylphenylalanine 32655 1913062 1771530 2055097 1421082 2340228 1281328 1055756 1770212 2077286 185422 1884174 145719 578531 1724057 164131 2019244 800427 107859 1584586 661685 2012778 2009841 2185066 2346237 1485004 1944147 718710 N-acetylserine N-Acetylserine 22857 NAD+ NAD 133788 191264 983933 72462 333079 266307 186693 285370 233236 45798 343230 130346 150788 97862 58860 20263 NADH NADH NADP NADP NADPH NADPH N-alpha-acetyllysine N(2)-Acetyllysine 16792856 8329924 13240208 16335583 16719442 4908306 3492180 11057097 17327919 2734011 14052120 2400968 9148992 9748506 2115869 7745819 8040162 15883917 16874340 18545070 15388207 6989715 10821090 1835171 1089337 niacinamide Niacinamide 2750811 31402726 127402843 28489768 34705398 32678546 102719794 63452126 157814701 36761802 4384814 36209836 11317644 49136338 166405199 3765737 171037844 48976976 10152137 99000521 12991597 37866701 63509657 40449349 36656497 150010212 114059248 93143868 NICOTINAMIDE_13C6 Niacinamide Nicotinic Acid Nicotinic acid O-phosphoethanolamine Phosphoethanolamine 2983593 3080070 4063857 3446960 3096011 3328762 1718290 3346050 3174076 98839 2723057 91288 898745 2578810 97382 2922526 2532548 123227 1755691 918165 3322103 2948449 3390719 2648634 2057771 3634002 2464499 ornithine Ornithine 446636 90891 233350 376924 214266 85702 32760366 26999517 58389046 42826989 51751171 34176101 13706230 38231793 42891245 14949263 37004234 3554467 14529534 36554009 14828007 33637046 9205746 1643843 10702818 29620818 48287168 39276353 35675369 36623027 34992348 32433832 12187564 203803 orotate Orotic acid 52851 8772270 45871 33863259 14287476 30002021 30643120 37271817 10621733 11369813 17995100 32785012 4911559 30487733 2938495 8523211 18312824 3472654 21930187 5111114 3033104 17014156 10787267 27439741 34251329 38853865 16010335 16781109 4249479 426216 185822 palmitate Palmitic acid 2639997 1640568 1752710 1174837 34988441 8470701 10993760 8181755 7298388 3409528 1566119 15025782 2811964 18580716 1037715 2047319 2442125 1874603 2731817 14012356 29768777 29782233 6849917 10434848 5286935 1335218 PALMITATE_U-13C16 Palmitic acid p-aminobenzoate p-Aminobenzoic acid Pantothenate Pantothenic acid 153208 1192952660 2787013035 2107661638 1540424188 1413337449 3992812814 1684371626 3602473607 1756316924 298819274 1725026228 1727554622 5527170621 223423775 5718607041 1605818589 372035056 3452088209 700461097 1811032247 1953008176 2251750531 2057707302 4764269229 4623805000 1656881515 Phenylacetyl glutamine alpha-N-Phenylacetylglutamine phenylalanine Phenylalanine 31244 112487630 80514268 173162753 129286888 157768582 87100833 61882361 88846247 153896062 24718151 146350193 11794813 33566544 101959548 17576810 112622203 87110980 10105992 89011643 52838486 151755878 169812927 148769954 177995705 100983387 107518830 75693730 phenylalanine-13C9-15N Phenylalanine 1290327155 172114532 425471617 128528338 167271781 143531460 257321985 171034978 493867909 153521881 19223828 155293266 27108172 158588340 623508883 14105387 636195021 209068150 26351400 424336234 46598333 157033351 166063271 173399671 140456208 315133411 325008586 177439375 661496217 172824050 phosphocholine Choline phosphate 580984 301473100 91905372 369046377 330982575 341675983 79093935 47549283 102599245 310358294 23012531 254643523 4038003 18098925 74868440 18324828 81621845 21675922 2997656 78654570 311878816 227526937 293282822 241228772 63721762 95683661 20960588 phosphocreatine Phosphocreatine 5791725 3669632 4617693 5418160 5628546 1881396 1661931 3305751 4748495 510447 4776966 120886 477355 2051892 462163 2088568 1674693 1523442 1256866 5003935 4156381 5753037 3007727 1213090 3426393 1682451 phosphoenolpyruvate Phosphoenolpyruvic acid phosphoserine Phosphoserine Picolinate Picolinic acid Pipecolate Pipecolic acid 58486026 104525710 41701775 71107643 76981620 45103872 60084776 138927932 61875936 4804871 52962843 5994955 34796659 162438892 4407061 175216782 46042411 6551185 122734668 14930548 57926981 67120739 55381543 69011994 95874881 94197889 34875447 proline Proline 555579512 780800734 1133917320 936166385 1160665780 1079321667 618284090 1490804118 975812461 159419164 878058690 76257448 370243347 1276196870 128843304 1410796441 301141372 58553495 871319855 374363579 935231195 1085646290 794466552 1100806042 1413812231 1159047120 400505499 proline-13C5-15N Proline 1059209513 315718907 486801962 245356605 320639678 264980510 269433936 170457547 555425255 294346967 50708054 261201401 44014339 193812375 617461543 41684740 662941847 178972309 36055080 430163040 119032627 279185613 309618810 314431575 252796024 369845063 503136403 156362827 575577712 316410329 propionylcarnitine CAR 3:0 42783200 17831278 86543674 48506604 63756157 26309071 15345737 20491525 52748558 6948918 54835404 3328209 9996450 36952800 4764315 41465380 11825709 2613753 44387642 17121617 52231085 34448575 45751745 52469366 18753465 21112149 5940091 PRPP Phosphoribosyl pyrophosphate pseudouridine_unc 124471 41108974 46199630 31939427 37404169 41141893 29918793 21338704 41930466 40994019 11594137 37717319 18208253 37492726 58663118 8062617 68712289 35490564 10965671 39732345 19766001 40142969 43559157 48967001 40334682 41701557 53804952 25189837 PteGlu Folic acid Pyridoxal Pyridoxal 43669543 240573329 30453779 56866142 58404695 110740250 137135653 236488464 51152010 7336593 36809101 20109513 68617371 232946604 10215574 238614939 70304392 16393565 145923530 24670649 54821621 51607156 39819931 46457897 211699252 274601526 88273197 Pyridoxine Pyridoxine pyruvate Pyruvic acid PYRUVATE_13C3 Pyruvic acid quinolinic_acid Quinolinic acid 10047130 5566415 7640034 9725248 11017713 2547027 2911795 6518502 9452214 2209201 9923646 327881 629905 3035648 1610800 4045867 1293010 2432908 3527154 8762205 8087672 9057656 7007907 2912817 5526537 1729277 271132 Riboflavin Riboflavin Ribose 1-phosphate_unc 24870 18147 Ribose_Ribulose 5-phosphate_3Me-Lys 27822 18147 saccharopine_unc 1079012 508607 671844 1422150 974488 205480 151843 742305 964020 960750 356898 306541 126086 258015 894465 704513 985270 919261 375708 519212 124075 S-Adenosyl-L-Homocysteine S-Adenosylhomocysteine 1050056 1855522 1204120 1303321 1581876 1070849 756051 2477045 1383874 752745 452868 2110968 2536276 401582 1176655 299203 1426213 1387388 1179238 1087970 1592638 1667402 669613 S-Adenosyl-L-methionine S-Adenosylmethionine 165939 67406633 50009878 53509809 65607497 70250417 22727879 65533689 12528888 49281075 18394105 8914653 54764780 14692480 21979065 23484736 61493972 67342577 71293642 59715967 sarcosine Sarcosine 420699 315659133 270943164 333526965 384163092 390383699 218845482 138689938 383503926 350864244 75029869 342641006 31424600 126491182 353949174 57922036 363787235 107599388 18472270 213381600 162319711 346607977 356586855 341551747 368803735 329351935 326424206 107549883 149699 S-CARBOXYMETHYLCYSTEINE S-Carboxymethyl-cysteine Sedoheptulose-7-phosphate Sedoheptulose 7-phosphate 18038 serine Serine 2197142 23192903 20066501 49894687 50643901 56545336 18708612 10256140 26441460 50788721 3990350 44934314 910746 5535038 25090443 3270107 24602260 9755996 692729 12561412 13762527 50798676 57028879 49359848 51232303 23425083 22614087 14496162 477469 327835 serine-13C3-15N Serine 10662858 7666461 4430271 5784766 8424438 6410731 1850600 1171472 4678484 7241076 421027 6112733 165611 1122758 4956724 374070 4810243 1868046 76191 2468562 1886185 7204298 7202028 7930191 6033997 2683990 3748951 1910091 4769696 10462422 serotonin Serotonin 66276 142234 90562 SODIUM PALMITATE_U-13C16 sorbitol Sorbitol 5338761 6855421 8786825 8909212 1894946 1934320 2176077 1597204 7937477 1175780 1185000 1706463 748133 3318113 8527668 311312 7464694 1636106 2407903 succinate Succinic acid Succinylacetone Succinylacetone succinyl-CoA Succinyl-CoA taurine Taurine 47599031 53103729 112318738 76466597 88987866 94766771 38748841 76049234 82854819 10328687 84571656 12903650 28628201 82894886 8605282 86697477 59788972 7159420 48455213 24896914 81684415 96670996 80369529 87582815 75938969 83314213 67611970 thiamine Thiamine threonine Threonine 216628335 194630514 310523125 361577243 358015934 221891758 142299917 385085088 381504285 37363030 364357502 18990096 128354783 404854917 26839433 415721173 152941864 15436065 243084728 129638036 346630962 619016980 458492536 362768136 330455397 415571553 221262848 threonine-13C4-15N Threonine 130037371 43071912 36504661 28312664 37801592 27234132 18140094 10618544 36102404 32768753 3113993 30830121 1794294 11114220 35817525 2342065 35898728 14721402 1436337 20916408 10441641 31117772 33804479 38066775 26849968 22647420 33950867 12885193 68759138 71540927 thymidine Thymidine 2945187 679593 2789661 1602154 2325465 483044 294125 495625 2844983 441482 2114425 73501 279641 857204 289756 988107 390954 100141 526992 911341 2750469 4206728 3257607 2647542 456780 788385 380675 THYMINE Thymine 38637043 74341 22459998 9258509 20813892 43833056 23330287 6823138 4749273 29149543 28369717 3301523 24471573 7124712 26197247 87609486 2432480 95084890 52072487 6333655 59963588 9559663 29925919 30050192 32438537 29069139 8507286 13030785 11968882 1689825 2538589 "THYMINE_1_3-15N2" trans-urocanate Urocanic acid tryptamine Tryptamine tryptophan Tryptophan 131380211 274260281 122198364 178405393 153504896 178871243 143106710 359928024 148655265 17342162 140370093 17502025 69984853 228480048 12201310 242114114 96343206 156788112 40099796 144885891 157864290 143333377 159752415 270965250 252779059 118614787 42160 tyrosine Tyrosine 961412 93788964 178235142 145535523 107794904 137533939 202647826 111503304 198266365 130721061 16251186 113001334 14825710 75483810 255497860 11633599 255904138 106168581 12999033 154084748 38248493 130737332 139952162 122349581 147528539 234021719 206515954 123391312 tyrosine-13C9-15N Tyrosine 443141420 76364351 140475610 52725222 81704405 61671163 71588457 48953205 148770299 68780416 8208863 59032456 9857596 50241289 174885732 6275761 178415427 70443486 8459814 104589577 20382815 68232970 76971653 74341856 56141049 91089798 125421758 66243502 202815298 91351744 UDP UDP UDP-GlcNAc UDP-N-acetylglucosamine 207201 65907 59944 76312 162720 UMP UMP 143220 168983 79874 231156 52487 136317 208030 107118 79784 184056 227686 56697 uracil Uracil 251625 15588257 15509789 11417053 12040768 16730916 11834609 8429507 19378199 13784807 1332314 10318724 2609536 8014982 25022356 1032981 24543915 10995256 1921322 261265 3642724 14359493 8876880 9383916 14220669 15717951 14476222 6444028 Ureidosuccinic_acid N-Carbamoylaspartic acid uric acid Uric acid 33520151 50221701 36247304 40536405 34497894 39258825 20467037 56597082 34541055 12696545 33343848 12091953 29647349 60778671 10560589 66445221 26426730 6440876 31722417 21135464 32789942 27983837 31282455 33164920 44541788 49061641 18442945 uridine Uridine 27835173 4804970 29713808 21963506 32993019 3769504 3201065 5047621 28133925 4375982 23868796 1104859 2698578 6116643 3231995 6829235 1886190 487756 2744450 9678629 26920762 20911723 25142554 30019531 5240537 5207281 1668096 UTP UTP valine Valine 6572024 24470636 29833690 200199169 343283841 254361403 259232932 260374128 242007760 225440417 551467957 303743918 271643198 43509476 110484698 403000559 15416063 482535637 118701136 13628896 286611407 62484219 290447290 280650641 257765837 300190854 507294264 394687652 148356022 valine-13C5-15N Valine 173937085 38496661 66071710 29314148 38169872 32539870 37076660 26271384 74073689 36119731 3923459 33241698 4543278 24162378 83085528 3155174 89569128 29529403 4194555 55478611 10789183 35589460 39513149 38726067 32003491 49271281 61391348 24412683 95104095 34078309 xanthine Xanthine 2989455 4456286 4499706 2341783 3499336 5038051 2534956 4823183 3003514 887527 3048748 3738680 7849172 10913910 918834 11759262 5222816 2351512 6299474 2436583 3215360 2486456 2601284 3137484 4863256 4452283 2307171 xanthosine Xanthosine