#METABOLOMICS WORKBENCH cmartias_20210927_005658 DATATRACK_ID:2867 STUDY_ID:ST001970 ANALYSIS_ID:AN003214 PROJECT_ID:000000 VERSION 1 CREATED_ON October 25, 2021, 11:41 am #PROJECT PR:PROJECT_TITLE Analytical methodology for a metabolome atlas of goat’s plas-ma, milk and PR:PROJECT_TITLE feces using 1H-NMR and UHPLC-HRMS PR:PROJECT_SUMMARY Metabolomics has been increasingly used in animal and food sciences. Animal PR:PROJECT_SUMMARY health is one of the most important factors that can also alter animal integrity PR:PROJECT_SUMMARY and welfare. Some studies have already investigated the link between health and PR:PROJECT_SUMMARY metabolic profile of dairy animals. These studies in metabolomics often consider PR:PROJECT_SUMMARY a single type of sample using a single analytical platform (Nuclear Magnetic PR:PROJECT_SUMMARY Resonance or Mass Spectrometry). Only few studies with multi-platform approaches PR:PROJECT_SUMMARY are also used with a single or a multi type of sample, but they mainly consider PR:PROJECT_SUMMARY dairy cows metabolome although dairy goats present similar diseases, that it PR:PROJECT_SUMMARY could be interesting to detect early to preserve animal health and milk PR:PROJECT_SUMMARY production. This study aims to create a metabolic atlas of goat plasma, milk, PR:PROJECT_SUMMARY and feces, based on healthy animals. Our study describes a Standard Operating PR:PROJECT_SUMMARY Procedure for three goat matrices: blood plasma, milk, and feces using multiple PR:PROJECT_SUMMARY platforms (NMR (1H), UHPLC (RP)-MS and UHPLC (HILIC)-MS) that follows a unique PR:PROJECT_SUMMARY sample preparation procedure for each sample type to be analyzed on PR:PROJECT_SUMMARY multi-platforms basis. Our method was evaluated for its robustness and allowed a PR:PROJECT_SUMMARY better characterization of goat metabolic profile in healthy conditions. PR:INSTITUTE INSERM PR:LAST_NAME Martias PR:FIRST_NAME Cecile PR:ADDRESS 10 Boulevard tonnelé, Tours, Indre et Loire, 37000, France PR:EMAIL cecile.martias@univ-tours.fr PR:PHONE 0247366351 #STUDY ST:STUDY_TITLE Analytical methodology for a metabolome atlas of goat’s plasma, milk and feces ST:STUDY_TITLE using 1H-NMR and UHPLC-HRMS:MS/milk ST:STUDY_SUMMARY Metabolomics has been increasingly used in animal and food sciences. Animal ST:STUDY_SUMMARY health is one of the most important factors that can also alter animal integrity ST:STUDY_SUMMARY and welfare. Some studies have already investigated the link between health and ST:STUDY_SUMMARY metabolic profile of dairy animals. These studies in metabolomics often consider ST:STUDY_SUMMARY a single type of sample using a single analytical platform (Nuclear Magnetic ST:STUDY_SUMMARY Resonance or Mass Spectrometry). Only few studies with multi-platform approaches ST:STUDY_SUMMARY are also used with a single or a multi type of sample, but they mainly consider ST:STUDY_SUMMARY dairy cows metabolome although dairy goats present similar diseases, that it ST:STUDY_SUMMARY could be interesting to detect early to preserve animal health and milk ST:STUDY_SUMMARY production. This study aims to create a metabolic atlas of goat plasma, milk, ST:STUDY_SUMMARY and feces, based on healthy animals. Our study describes a Standard Operating ST:STUDY_SUMMARY Procedure for three goat matrices: blood plasma, milk, and feces using multiple ST:STUDY_SUMMARY platforms (NMR (1H), UHPLC (RP)-MS and UHPLC (HILIC)-MS) that follows a unique ST:STUDY_SUMMARY sample preparation procedure for each sample type to be analyzed on ST:STUDY_SUMMARY multi-platforms basis. Our method was evaluated for its robustness and allowed a ST:STUDY_SUMMARY better characterization of goat metabolic profile in healthy conditions. ST:INSTITUTE INSERM ST:LAST_NAME Martias ST:FIRST_NAME Cecile ST:ADDRESS 10 Boulevard tonnelé, Tours, Indre et Loire, 37000, France ST:EMAIL cecile.martias@univ-tours.fr ST:PHONE 0247366351 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Goat SU:TAXONOMY_ID 9925 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - L_200_P1_1 Protocole:P1 RAW_FILE_NAME=L_200_P1_1 SUBJECT_SAMPLE_FACTORS - L_200_P1_2 Protocole:P1 RAW_FILE_NAME=L_200_P1_2 SUBJECT_SAMPLE_FACTORS - L_200_P1_3 Protocole:P1 RAW_FILE_NAME=L_200_P1_3 SUBJECT_SAMPLE_FACTORS - L_200_P1_4 Protocole:P1 RAW_FILE_NAME=L_200_P1_4 SUBJECT_SAMPLE_FACTORS - L_200_P1_5 Protocole:P1 RAW_FILE_NAME=L_200_P1_5 SUBJECT_SAMPLE_FACTORS - L_200_P1_6 Protocole:P1 RAW_FILE_NAME=L_200_P1_6 SUBJECT_SAMPLE_FACTORS - L_200_P1_7 Protocole:P1 RAW_FILE_NAME=L_200_P1_7 SUBJECT_SAMPLE_FACTORS - L_200_P1_8 Protocole:P1 RAW_FILE_NAME=L_200_P1_8 SUBJECT_SAMPLE_FACTORS - L_200_P1_9 Protocole:P1 RAW_FILE_NAME=L_200_P1_9 SUBJECT_SAMPLE_FACTORS - L_200_P1_10 Protocole:P1 RAW_FILE_NAME=L_200_P1_10 SUBJECT_SAMPLE_FACTORS - L_200_P3_1 Protocole:P3 RAW_FILE_NAME=L_200_P3_1 SUBJECT_SAMPLE_FACTORS - L_200_P3_2 Protocole:P3 RAW_FILE_NAME=L_200_P3_2 SUBJECT_SAMPLE_FACTORS - L_200_P3_3 Protocole:P3 RAW_FILE_NAME=L_200_P3_3 SUBJECT_SAMPLE_FACTORS - L_200_P3_4 Protocole:P3 RAW_FILE_NAME=L_200_P3_4 SUBJECT_SAMPLE_FACTORS - L_200_P3_5 Protocole:P3 RAW_FILE_NAME=L_200_P3_5 SUBJECT_SAMPLE_FACTORS - L_200_P3_6 Protocole:P3 RAW_FILE_NAME=L_200_P3_6 SUBJECT_SAMPLE_FACTORS - L_200_P3_7 Protocole:P3 RAW_FILE_NAME=L_200_P3_7 SUBJECT_SAMPLE_FACTORS - L_200_P3_8 Protocole:P3 RAW_FILE_NAME=L_200_P3_8 SUBJECT_SAMPLE_FACTORS - L_200_P3_9 Protocole:P3 RAW_FILE_NAME=L_200_P3_9 SUBJECT_SAMPLE_FACTORS - L_100_P4_1 Protocole:P4 RAW_FILE_NAME=L_100_P4_1 SUBJECT_SAMPLE_FACTORS - L_100_P4_2 Protocole:P4 RAW_FILE_NAME=L_100_P4_2 SUBJECT_SAMPLE_FACTORS - L_100_P4_3 Protocole:P4 RAW_FILE_NAME=L_100_P4_3 SUBJECT_SAMPLE_FACTORS - L_100_P4_4 Protocole:P4 RAW_FILE_NAME=L_100_P4_4 SUBJECT_SAMPLE_FACTORS - L_100_P4_5 Protocole:P4 RAW_FILE_NAME=L_100_P4_5 SUBJECT_SAMPLE_FACTORS - L_100_P4_6 Protocole:P4 RAW_FILE_NAME=L_100_P4_6 SUBJECT_SAMPLE_FACTORS - L_100_P4_7 Protocole:P4 RAW_FILE_NAME=L_100_P4_7 SUBJECT_SAMPLE_FACTORS - L_100_P4_8 Protocole:P4 RAW_FILE_NAME=L_100_P4_8 SUBJECT_SAMPLE_FACTORS - L_100_P4_9 Protocole:P4 RAW_FILE_NAME=L_100_P4_9 SUBJECT_SAMPLE_FACTORS - L_100_P4_10 Protocole:P4 RAW_FILE_NAME=L_100_P4_10 #COLLECTION CO:COLLECTION_SUMMARY - CO:SAMPLE_TYPE Milk #TREATMENT TR:TREATMENT_SUMMARY P1 : Milk:MeOH:CHCl3 1:1:1 P3: Milk:MeOH:CHCl3 1:2.5:2.5 P4: Milk:H2O:MeOH:CHCl3 TR:TREATMENT_SUMMARY 1:3:4:6 #SAMPLEPREP SP:SAMPLEPREP_SUMMARY - #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Waters CH:COLUMN_NAME Waters Cortecs (unbonded silica 1.6µm 100 A 150x2.1mm) #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS - #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS SI MS_METABOLITE_DATA_START Samples L_200_P1_1 L_200_P1_2 L_200_P1_3 L_200_P1_4 L_200_P1_5 L_200_P1_6 L_200_P1_7 L_200_P1_8 L_200_P1_9 L_200_P1_10 L_200_P3_1 L_200_P3_2 L_200_P3_3 L_200_P3_4 L_200_P3_5 L_200_P3_6 L_200_P3_7 L_200_P3_8 L_200_P3_9 L_100_P4_1 L_100_P4_2 L_100_P4_3 L_100_P4_4 L_100_P4_5 L_100_P4_6 L_100_P4_7 L_100_P4_8 L_100_P4_9 L_100_P4_10 Factors Protocole:P1 Protocole:P1 Protocole:P1 Protocole:P1 Protocole:P1 Protocole:P1 Protocole:P1 Protocole:P1 Protocole:P1 Protocole:P1 Protocole:P3 Protocole:P3 Protocole:P3 Protocole:P3 Protocole:P3 Protocole:P3 Protocole:P3 Protocole:P3 Protocole:P3 Protocole:P4 Protocole:P4 Protocole:P4 Protocole:P4 Protocole:P4 Protocole:P4 Protocole:P4 Protocole:P4 Protocole:P4 Protocole:P4 L-Lactic acid 0001280207 0001456825 0002382038 00020807 000185125 0001543788 0002006318 0002147423 0001930571 0001973952 1-Hydroxy-2-naphthoate 204206E-06 808075E-06 227009E-06 270005E-06 251788E-06 449043E-06 223987E-06 307508E-06 562866E-06 163983E-06 3-Hydroxycapric acid 0000174497 0000293249 000019858 0000310129 0000310316 0000365855 0000329943 000036077 0000304993 0000258997 0000204743 0000206788 0000113231 0000149406 0000198931 0000132023 0000200102 997042E-05 0000168171 235972E-05 697537E-05 415945E-05 318713E-05 302356E-05 400038E-05 285457E-05 337938E-05 506074E-05 47581E-05 Deoxyguanosine 0000507711 0000780785 0000422847 0000782574 0000583008 0002184734 0003125107 0000965441 0000617601 0000650722 0000282381 0000457626 0001278348 0001420856 0004547654 0004060592 0001301468 0002318594 0001323335 32705E-05 541008E-05 488655E-05 522219E-05 618592E-05 517017E-05 564812E-05 656433E-05 619455E-05 773501E-05 2-Aminophenol 295125E-05 789486E-05 602283E-05 370907E-05 194498E-05 397605E-05 369491E-05 310146E-05 606303E-05 592991E-05 2-Deoxy-D-Glucose 0000119819 882505E-05 0000103967 0000110324 0000234883 0000269094 0000122783 0000155162 0000117939 402403E-05 642978E-05 654394E-05 677186E-05 677387E-05 564846E-05 700386E-05 738378E-05 703629E-05 862557E-05 Ortho-Hydroxyphenylacetic acid 0000102117 0000165297 0000138308 000015154 0000165992 0000426248 0000384303 0000223278 0000186177 0000124312 0000113792 0000125912 0000115989 0000116873 0000332896 0000274441 0000122988 0000142523 0000154532 15936E-05 413334E-05 211919E-05 201401E-05 254259E-05 225347E-05 186148E-05 217321E-05 399517E-05 30712E-05 2-Methylglutaric acid 000055035 000047774 0000410909 0000352456 0000733415 0001153715 0001270471 000067086 0000905 0000670692 3837E-05 0000129016 824929E-05 536744E-05 521134E-05 893627E-05 402853E-05 706965E-05 00001165 566265E-05 Citraconic acid 0003334954 0003159229 0002940555 0003636799 0003382827 0006541055 0007344211 0004684397 0004489278 0003455675 0002645223 0005310926 0004262755 0004079666 0006018782 0007057094 0004021749 0006040521 000439078 0000506745 0000632452 0000728826 000036114 0000879705 0000896497 0000355279 0000817001 0001035302 0001066042 Isobutyric acid 199081E-05 64546E-05 126114E-05 287457E-05 167683E-05 390802E-05 177594E-05 402429E-05 162623E-05 231035E-05 Oxoadipic acid 222465E-05 339986E-05 170122E-05 238985E-05 548532E-06 292293E-05 327111E-05 13298E-05 217945E-05 528211E-05 2-Amino-4-oxo-6-(1',2'-dioxoprolyl)-7,8-dihydroxypteridine 0000171278 0000267116 0000178168 0000245398 0000267496 0000480142 000052924 0000306619 000025563 0000249534 0000199514 0000270018 0000162377 0000230736 0000478632 0000421678 0000256748 0000240455 000023888 2,4-dihydroxypyrimidine-5-carboxylic acid 0057367804 0046618773 0045406122 0057433585 0038721492 0061716226 0068901518 0058586891 0042703624 0055419123 0042437997 0039643148 0049722713 005074206 0064242628 0068087941 004743237 0060753601 0047429665 0005232875 0008515131 0008081277 0008437401 0008901163 0008419307 0009512593 0010129681 0010449785 0011454943 2,5-dihydroxybenzoate 0015238461 0014060263 0012778845 0021046541 0018993188 0007502096 0010689705 0018287029 0019721939 0015373241 0015399581 001477157 0013404258 0012512807 0008138511 0005701466 0017561618 0007833537 001679646 0003244209 0009613087 0005748521 00054861 0005733255 0005470322 000546123 0005063953 0007558077 0007940243 Cyclic AMP 0000213544 0000141029 000017938 0000177063 000017003 0000251145 0000356512 0000193922 0000149092 0000158541 0000197781 0000124815 000020646 0000189743 0000229901 0000279277 000015903 0000269257 0000167456 0000105817 0000148667 0000163252 0000165939 0000189836 0000148007 0000173871 000017589 0000160284 00002385 3-(2-Hydroxyphenyl)propanoic acid 0000240562 0000280588 0000237105 0000280432 0000320087 0000137205 863279E-05 0000331538 0000339762 0000258281 0000281629 0000307868 0000210459 0000245547 989795E-05 686284E-05 0000264849 0000155115 0000253364 214712E-05 52491E-05 304658E-05 282259E-05 317724E-05 337125E-05 295044E-05 318704E-05 416901E-05 453515E-05 3-Amino-4-hydroxybenzoic acid 345511E-05 0000138377 65119E-05 503411E-05 603895E-05 682397E-05 585403E-05 533819E-05 0000159599 788032E-05 3-Amino-5-hydroxybenzoic acid 345511E-05 0000138377 65119E-05 503411E-05 603895E-05 682397E-05 585403E-05 533819E-05 0000159599 788032E-05 3-Aminoisobutanoic acid 166594E-05 228383E-05 238304E-05 32093E-05 259634E-05 351396E-05 315142E-05 251035E-05 186997E-05 304022E-05 3-Hydroxymethylglutaric acid 0001789754 0001608562 0001657549 0001772464 0002142607 00023677 0001677262 0001894702 000188358 0000325246 0000481876 0000431275 0000465013 0000464912 0000421053 0000459109 0000544087 000061169 0000569552 3-Hydroxyanthranilic acid 344193E-05 0000137743 65117E-05 503314E-05 60415E-05 682612E-05 58546E-05 528605E-05 0000159634 787977E-05 3-hydroxybenzaldehyde 0000718213 0000648014 0000583285 0000859317 0000684743 000095138 0000766281 0000780033 0000948932 0000543651 000066732 0000711246 0000426309 0000639752 0000903001 0000591117 0000755013 0000490079 0000775256 894726E-05 0000281012 0000130835 0000124358 0000126158 000011159 0000125957 0000160111 0000258322 0000158595 3-Hydroxybenzoic acid 0000774516 0001179695 0000846977 0000988172 0001278093 0000819117 0000720731 0001132779 0001144156 0000786799 0000682227 0000822729 0000576656 0000767866 000073487 000049864 0000860487 0000464392 0000896546 0000109884 0000508614 0000265004 0000654558 0001183882 0000245671 0000462905 0000390944 000077506 0000314046 3-hydroxyphenylacetate 0000102117 0000165297 0000138308 000015154 0000165992 0000426248 0000384303 0000223278 0000186177 0000124312 0000113792 0000125912 0000115989 0000116873 0000332896 0000274441 0000122988 0000142523 0000154532 164489E-05 41786E-05 2178E-05 208359E-05 258774E-05 225872E-05 188962E-05 217321E-05 402291E-05 308471E-05 3-methyglutaric acid 0000561118 0000461088 0000418637 000035079 0000830821 0001074004 0001233182 0000652254 0000859161 0000673525 000077948 0000784899 0000814696 00006259 0001194179 0000981622 0000836205 0000618158 0000765547 45118E-05 966789E-05 901657E-05 57819E-05 0000126942 562361E-05 692234E-05 762967E-05 0000232604 979528E-05 Ketoleucine 0000570024 000076132 0000873077 00006765 000078016 0002133651 0002338116 000108446 000089014 0000851627 0000875952 0000740541 0000771081 0000830938 0001771111 0001610206 0000966726 0000833923 0000832015 589924E-05 0000149573 922879E-05 94793E-05 0000110742 0000101029 902737E-05 0000103544 0000128028 0000125756 3-Methyladenine 487805E-05 763414E-05 699508E-05 76696E-05 817691E-05 674029E-05 734541E-05 79906E-05 838521E-05 0000100745 Ureidopropionic acid 517668E-05 494527E-05 580707E-05 442692E-05 458933E-05 0000131042 0000151535 728258E-05 556691E-05 732019E-05 233207E-05 735088E-05 530821E-05 660319E-05 0000140623 0000131274 631088E-05 787171E-05 717123E-05 Protocatechuic acid 0014766916 0013621771 0012294111 0020374901 0018294307 0007060488 0010509664 0017787585 0019068772 0014829421 0015006689 0014401694 00130639 0012059548 0007929457 0005548393 0016949092 0007591928 0016326001 0002906221 0008423536 0005447714 0005136015 0005429363 0005075181 000511189 0004641338 0006754626 0007271549 3,4-Dihydroxybenzeneacetic acid 954925E-05 0000132602 0000130362 0000156542 0000160376 0000296152 0000219725 0000204177 0000200736 0000135916 0000150393 0000177161 0000130896 0000125798 0000234915 0000167982 0000154645 0000121156 0000180983 168527E-05 467695E-05 29664E-05 272308E-05 262204E-05 240143E-05 248518E-05 198727E-05 331892E-05 357636E-05 4-Acetamidobutanoic acid 0000128496 0000274245 0000175174 0000229462 0000229957 000019594 0000211351 0000194007 0000252302 0000303681 4-Hydroxybenzaldehyde 0000717824 0000646194 0000583156 0000859051 0000684614 0000949416 0000764301 0000780528 0000948859 0000543649 0000668322 0000711309 0000425131 0000639927 0000902995 0000591204 0000755121 0000489907 0000775148 972343E-05 0000299444 0000145102 0000130159 000013945 0000128521 0000131602 0000159877 00002672 0000158545 4-Hydroxybenzoic acid 0000693176 0001068749 0000766895 0000927112 0001159328 0000757789 0000619769 0001050914 0001036561 0000719877 0000651081 0000745986 0000530608 0000701441 0000673569 0000451831 0000772828 0000422936 0000821574 0000109853 0000508622 0000267409 0000656441 0001183817 0000245664 0000462973 000039097 0000782556 0000314014 p-Hydroxyphenylacetic acid 0000106494 0000169346 0000144031 0000156244 0000175636 0000438839 0000399454 0000226989 0000186258 0000129268 000011796 0000133668 0000119346 0000125217 0000339541 0000284415 0000130312 0000150829 0000159372 149903E-05 39255E-05 199771E-05 185274E-05 244011E-05 218528E-05 179363E-05 212626E-05 382907E-05 298164E-05 Imidazoleacetic acid 160648E-05 203074E-05 211205E-05 230832E-05 235882E-05 217174E-05 272066E-05 267151E-05 183234E-05 271182E-05 5'-Deoxyadenosine 337418E-06 326517E-06 671741E-06 354465E-06 116269E-05 345594E-05 196499E-05 244349E-05 124918E-05 579309E-06 5-Hydroxyindoleacetic acid 255482E-05 380514E-05 322913E-05 241097E-05 309987E-05 391566E-05 220824E-05 218354E-05 350482E-05 237708E-05 Pimelic acid 0000797161 0000837094 0000878405 0000371997 0001193521 0001761415 0002871405 0002037218 0001168739 0000955535 0001860063 000145001 0001420728 0001061615 0001247469 0001152841 0001616984 0000831551 0001076425 311295E-05 881161E-05 443963E-05 431853E-05 487957E-05 479847E-05 582443E-05 391914E-05 0000107422 814031E-05 6-deoxy-l-galactose 0000119819 882505E-05 0000103967 0000110324 0000234883 0000269094 0000122783 0000155162 0000117939 402403E-05 642978E-05 654394E-05 677186E-05 677387E-05 564846E-05 700386E-05 738378E-05 703629E-05 862557E-05 Acetoacetic acid 0002111839 0002050798 0001846561 0002326407 0001229506 0003559073 000143908 0002504427 000197594 0002332865 000187449 0001727042 0001776276 0001794479 0003242766 0002986526 0001855837 0002328335 0001914641 0000390706 0000604682 000058307 0000566575 0000562075 0000525497 0000593435 0000619293 0000634634 0000697383 Adenine 0000165429 0000203533 0000143757 0000178844 0000261347 000020162 000017168 0000146622 0000161199 416163E-05 0000158312 735747E-05 646516E-05 70535E-05 765354E-05 613381E-05 765193E-05 0000102864 795625E-05 Adenosine 327391E-05 540254E-05 488655E-05 52167E-05 618514E-05 516367E-05 563607E-05 656359E-05 618864E-05 773856E-05 Adipic acid 0000539503 0000473058 0000411752 000035085 000073232 0001153433 000126858 0000662693 0000903498 0000668271 0000824591 0000750667 0000831231 0000662708 000120946 0001014113 000085715 0000632427 0000795899 332452E-05 761551E-05 768081E-05 500356E-05 840794E-05 462049E-05 645456E-05 628239E-05 0000228582 931967E-05 allose 0018172768 0014989039 0014914972 0018048073 0009275019 0021412617 0011949677 0017950214 0014069546 001761417 0015889759 0013790509 0014602487 0014982762 0021344341 0019996934 0014949156 0016495614 0015385916 0002095865 0003096817 0002947939 0003227038 0003231668 0002998044 0003230353 0003553729 0003768149 0003938037 Alpha-D-Glucose 0001776851 00028168 0002637261 0002723056 000270128 0002495818 0002703916 0002926744 0003060949 0003313468 arabinose 0000345924 0000272659 0000319259 0000372457 0000256206 0001057763 0001195325 0000485542 0000351075 0000379588 0000350128 0000391338 0000147088 0000367436 0001001623 0000900063 0000362932 0000210312 0000398295 Azelaic acid 0000656059 0000914235 000061645 0000977165 0000985834 0001288645 0001839575 0001192846 0001187018 0000754117 0001192819 0001030758 0000817876 0001054037 000136761 0000963081 0001050324 0000865931 0000906103 0000115642 0000355471 0000164027 0000157696 0000161027 0000190975 0000140767 0000156034 0000507962 0000233537 Benzoic acid 0000718213 0000648014 0000583285 0000859317 0000684743 000095138 0000766281 0000780033 0000948932 0000543651 000066732 0000711246 0000426309 0000639752 0000903001 0000591117 0000755013 0000490079 0000775256 894726E-05 0000281012 0000130835 0000124358 0000126158 000011159 0000125957 0000160111 0000258322 0000158595 Benzyl alcohol 0001756559 0001920405 0001392505 0001610897 0001577945 0001159085 0002034985 0001168397 0002042411 0000247808 0000809515 0000456104 0000380668 0000465224 0000447629 0000395003 0000405938 0000669253 0000573387 Butyric acid 199081E-05 64546E-05 129493E-05 287457E-05 170704E-05 390802E-05 186775E-05 402429E-05 165694E-05 235832E-05 Caffeic acid 354551E-05 000019615 0000102536 992398E-05 605769E-05 580344E-05 569789E-05 0000121707 0000159049 736477E-05 Caprylic acid 232246E-05 150298E-05 143831E-05 239229E-05 202337E-05 336335E-05 138121E-05 268241E-05 213997E-05 236207E-05 Pyrocatechol 151496E-05 136271E-05 325917E-05 313561E-05 400553E-05 482173E-06 540436E-06 373427E-05 229948E-05 926676E-06 Cholic acid 510036E-05 54673E-05 478016E-05 56085E-05 0000114489 417307E-05 745305E-05 653166E-05 959147E-05 575961E-05 283161E-05 93052E-05 508325E-05 453591E-05 524635E-05 531545E-05 414415E-05 525659E-05 579418E-05 632206E-05 Citrulline 0000182606 0000238022 0000258734 0000307726 0000282002 0000271968 000032626 0000305473 0000260854 0000340534 cytidine 2,3-cyclic monophosphate 186385E-05 157171E-05 152887E-05 139211E-05 176696E-05 945974E-06 211498E-05 143991E-05 170498E-05 188533E-05 137485E-05 14943E-05 145864E-05 122267E-05 189987E-05 281615E-05 147286E-05 322327E-05 139878E-05 cellobiose 0278325114 0238649783 0250062647 0247494441 0243417043 0247141344 0245971751 0241513456 0231048959 0224716199 fructose 0002095976 0003096922 0002942013 0003227169 0003230696 000299776 0003230418 0003553508 0003768361 0003938161 galactose 0017823657 0014752049 0014649046 0017734542 0009197397 0021115661 0011552102 0017713319 0013962504 0017285684 0015712515 0013568847 0014305417 0014692933 0021053356 0019742202 0014689736 001617877 0015183726 00020958 0003097458 0002941604 0003226246 0003231797 0002997776 0003230138 0003553699 0003768485 0003937645 D-Lyxose 0000345924 0000272934 0000319454 0000372554 0000256286 0001057273 0001195632 0000487603 0000351073 000037992 0000350468 0000391933 0000147088 0000367436 000100169 0000900118 0000363418 000016495 0000398294 Ornithine 337853E-05 508187E-05 552811E-05 536305E-05 528701E-05 60373E-05 596818E-05 51279E-05 469686E-05 68323E-05 Pantothenic acid 0014356226 0020952798 0020377701 0020534759 0043226478 0052222571 0020107673 0031718728 002182389 0001675319 0002727381 0002506478 0002794445 0002968681 0003092309 0003143887 0003209327 0002750756 000438068 ribose 0000345924 0000272659 0000319259 0000372457 0000256206 0001057763 0001195325 0000485542 0000351075 0000379588 0000350128 0000391338 0000147088 0000367436 0001001623 0000900063 0000362932 0000210312 0000398295 sorbitol 000249714 0003588038 0003655841 0003906802 000396265 0003452936 0003967586 000435833 0004337577 0004826339 tagatose 0002095976 0003096922 0002948221 0003227169 0003230696 000299776 0003230418 0003553508 0003768361 0003938161 Deoxycytidine 488319E-05 525295E-05 457297E-05 556599E-05 57132E-05 859162E-05 583278E-05 63787E-05 476397E-05 549265E-05 406565E-05 380276E-05 374448E-05 418098E-05 754121E-05 575319E-05 44584E-05 441274E-05 421322E-05 Dihydroxyacetone phosphate 0000417864 000076902 0001013949 0000625309 0002237923 0001145323 0003704357 0000754964 0000857943 0000552231 0001892778 0000748422 0001522545 0000528011 0000840298 0000427332 0008004058 0000382403 0000663766 0000188237 0001043072 0000706706 0000643345 0000359887 0000219974 0000321189 0000989747 0001202005 0000778733 Ethylmalonic acid 0000725886 0000476929 0000496994 0000477113 0000690251 0001366032 0001607434 0000623418 0000841826 0000632969 0000642454 0000808007 0000687806 0000597135 0001387093 0001502929 0000718332 000089678 000079043 235443E-05 704776E-05 501054E-05 407143E-05 559347E-05 716399E-05 541737E-05 477408E-05 704636E-05 851386E-05 Galactitol 0016028258 0012852224 0012371517 0015760281 0013715785 0026084479 0019807684 001623948 0012178107 0015244954 0010969809 0009711033 0011289308 0011884649 0023631006 0023147768 0011972748 0017003046 001304342 0002497621 0003588329 0003656455 0003907838 0003962534 0003460856 0003967955 0004360476 0004338117 0004830217 Glycerol 3-phosphate 675382E-05 0000158956 0000122233 0000132109 0000112208 0000208765 0000154635 0000134996 0000104874 0000194302 Guanine 0000874116 0001013944 0000755164 0001163466 0001089014 0003749982 0002262328 0001784866 0001011063 0001145513 0000755031 0000933546 0000719234 000089021 0003614097 0003128741 000102445 000158108 0001002231 936036E-05 0000204958 0000144177 0000144968 00001071 0000160919 0000154461 0000179826 0000231306 0000129191 Caproic acid 0002107879 0001485316 0001547937 0000942356 0000769099 0000635153 0001745152 0000467794 000093429 204314E-05 142774E-05 858278E-06 317553E-05 197449E-05 26742E-05 260669E-05 328796E-05 14446E-05 378392E-05 Hippuric acid 0594063037 0657060034 066075219 0585052875 0685666666 0483892879 0474450211 0560613919 0634285278 0590821726 0059013296 0120669344 00961834 0095961565 0106866249 0101095728 0099790473 0107269741 0124233676 0132988003 Homogentisic acid 0018176871 0014983843 0014913045 0018055678 0009301032 0021415549 0011950636 0017955337 0014076574 0017614663 0015893998 0013793068 0014602034 0014987624 0021343182 0020012584 0014949973 0016496204 0015389862 0002095675 0003096813 0002945868 0003226331 0003235842 0002997228 0003230037 0003552872 0003460034 0003936811 L-Homoserine 792467E-05 962647E-05 0000109093 000012397 0000117273 0000101915 0000119739 0000118479 0000112619 0000132495 Homovanillic acid 0000874091 000094297 0000731062 0000794701 0000421389 0000341234 0000880327 0000533829 0000923079 455606E-05 0000136253 798541E-05 722068E-05 885217E-05 914245E-05 77169E-05 791999E-05 0000108521 0000115621 Hydroquinone 0000111651 0000106469 775186E-05 967043E-05 875703E-05 731842E-05 935406E-05 670879E-05 0000134251 Hypotaurine 0000476561 0000544534 0000666581 0000829719 0000784008 0000656624 0000859468 0000811072 0000667584 0000872599 Indoleacetic acid 658179E-06 333216E-06 347807E-06 454682E-05 686704E-05 579178E-05 496871E-05 589131E-05 582724E-05 476007E-05 445126E-06 199703E-05 111801E-05 779841E-06 977984E-06 793139E-06 615286E-06 775234E-06 119342E-05 820932E-06 Tryptophanol 0000379675 0000946816 0000680413 0000647406 0000753726 0000697207 0000688868 0000729366 0000898364 0000911081 Indoxyl sulfate 000394392 0002020611 0002221177 0005558563 0003149245 0003120126 0003120339 0002814492 0004403324 0002710309 0004200832 0004117689 0003094348 0003539537 000293082 000213177 0004154518 0002384637 0004250285 0000412254 0001458918 000073774 0000694166 0000845506 0000798565 0000695563 0000744792 0001175898 0000946444 Inosine 735316E-05 66159E-05 928751E-05 715775E-05 581895E-05 0000162349 0000142601 0000125935 843668E-05 000012481 445476E-05 663291E-05 758288E-05 927241E-05 0000120683 0000135124 760691E-05 949109E-05 73562E-05 0007535868 001471902 0012133811 0012508546 001169621 0012999838 0013828957 0014820951 0017049355 0016149915 Itaconic acid 0000502527 0002784509 0004075071 0000575525 000104206 0006777704 0001403683 0004158613 0004330802 0003008807 000194753 0000602875 0001970957 0001886341 0002064145 000133528 0000930686 0000925598 0001473439 0000558943 0000129069 944716E-05 0000114936 0000101221 0000110354 0000103296 939312E-05 955814E-05 0000138272 L-Allothreonine 814091E-05 989226E-05 0000113613 0000127556 0000121121 0000104539 0000123541 0000122241 000011599 000013719 L-Arabitol 0002039445 0001632797 000158173 0001985262 0001215438 0003039919 0002635445 0001986995 0001560423 0001948905 0001378908 0001296075 0001491987 0001510812 0002785434 0002821903 0001528074 0002009471 0001651302 0000200671 0000337097 0000302725 0000298956 0000314331 0000282259 0000312872 0000333371 0000370526 0000387927 L-Arginine 842483E-05 0000124501 000013881 0000138371 0000128757 0000149973 0000146331 0000139583 0000122555 000017383 L-Asparagine 0000927327 0000670388 0000684987 0000794517 0000726642 0000596551 0000901108 0000814249 0000631583 0000737991 0000777089 0000682925 0000884115 0000855672 0000680272 0000822288 0000717958 0001019983 0000767326 898848E-05 0000110423 0000127304 0000142359 0000137041 0000119662 000014109 0000147934 0000125248 0000150323 L-Glutamic acid 0001711452 0000855614 0001096528 0001169084 000142308 0001082704 000170486 0001481507 0001461374 000117252 0001200212 0001988969 0002583395 000199159 0001518459 0002426986 0001334942 0004307986 0001337685 000013207 000019082 0000193089 0000248458 0000219001 0000272819 0000273133 0000221426 0000155489 0000253412 L-Glutamine 0002157917 0002564557 0002972456 0003566113 000326282 000292995 000363108 00034442 0002869702 0003886689 L-Serine 0000177179 000022731 0000293327 0000323753 0000308196 0000257615 0000318815 0000316516 000026678 0000328461 Sorbose 00181734 0014986887 0014917072 001805384 000927616 002142197 0011952209 001795014 0014070726 0017615262 0015890884 0013790644 001459947 0014983279 0021344893 0019996105 0014949781 0016502323 0015387684 00020958 0003097458 0002941604 0003226246 0003231797 0002997776 0003230138 0003553699 0003768485 0003937645 L-Threonine 792467E-05 962647E-05 0000109093 000012397 0000117273 0000101915 0000119739 0000118479 0000112619 0000132495 L-Tyrosine 383755E-05 44877E-05 316254E-05 414763E-05 408014E-05 551892E-05 578744E-05 581601E-05 417637E-05 374412E-05 37718E-05 452987E-05 355323E-05 419818E-05 551396E-05 442086E-05 385505E-05 345322E-05 469271E-05 15462E-05 217707E-05 197193E-05 320664E-05 316584E-05 27273E-05 325236E-05 299351E-05 362405E-05 349619E-05 L-Valine 409349E-05 331458E-05 27586E-05 419804E-05 337921E-05 784638E-05 0000111102 377613E-05 280165E-05 467201E-05 2563E-05 269245E-05 357139E-05 32692E-05 637903E-05 809199E-05 297287E-05 597592E-05 330726E-05 Lumichrome 23328E-05 681895E-05 427398E-05 324205E-05 372638E-05 445771E-05 312597E-05 361747E-05 575457E-05 448931E-05 Mandelic acid 259977E-06 25446E-06 411196E-06 103455E-05 641448E-06 324501E-05 204069E-05 126385E-05 652089E-06 779548E-06 Mannitol 000249714 0003588038 0003655841 0003906802 000396265 0003452936 0003967586 000435833 0004337577 0004826339 D-Mannose 0002095976 0003096922 0002942013 0003227169 0003230696 000299776 0003230418 0003553508 0003768361 0003938161 Methyl beta-D-glucopyranoside 0008768732 0010752061 0010239415 0008691302 0010725614 0005597015 0005200544 0008370955 0009963914 0009290289 000928055 0009587042 0008735802 0009047394 0005039558 0004385678 0008980159 0006693938 0009251992 0000629828 0001347661 0001037254 0001067309 0001178084 0001110404 0001047501 0001169568 0001341443 0001477174 Methyl jasmonate 236903E-05 105155E-05 155053E-05 214521E-05 142765E-05 215624E-05 322765E-05 151177E-05 150082E-05 Methylmalonic acid 0000347451 0000453105 0000447909 0000485479 0000542179 0000598144 0000477905 0000739051 0000364278 Mono-methyl glutaric acid 0000539503 0000473058 0000411752 000035085 000073232 0001153433 000126858 0000662693 0000903498 0000668271 0000824591 0000750667 0000831231 0000662708 000120946 0001014113 000085715 0000632427 0000795899 332452E-05 761551E-05 768081E-05 498409E-05 840794E-05 462049E-05 645456E-05 628239E-05 0000228582 931967E-05 myo-Inositol 0018176279 0014984416 0014905917 0018054425 0009300402 0021456274 0011950762 001795596 0014076418 0017614865 0015899727 0013797903 0014600557 0014986106 0021343941 0020057349 0014949266 0016495432 0015392479 0002090785 0003097544 0002946128 0003226512 0003235933 000299717 0003230353 0003553114 0003460379 0003695505 N-Acetylgalactosamine 373349E-05 524724E-05 533384E-05 587295E-05 61603E-05 464199E-05 566489E-05 578542E-05 659494E-05 715713E-05 N-Acetylmannosamine 373349E-05 524724E-05 533384E-05 587295E-05 61603E-05 464199E-05 566489E-05 578542E-05 659494E-05 715713E-05 N-Acetylleucine 573283E-05 0000130448 871278E-05 847574E-05 0000109083 807144E-05 871192E-05 875894E-05 0000122595 0000137116 N-Acetyl-L-phenylalanine 0001590431 0001568278 0001766776 0001430036 0001905062 0000859962 0000773452 0001319794 0001774391 0001436112 0001452243 0001589875 0001304674 0001469087 000068459 0000591549 0001499601 0001007703 0001458841 0000131088 0000291589 0000237695 0000222955 0000264591 00002566 0000242457 0000247596 0000305624 0000337462 N6-(delta2-Isopentenyl)-adenine 376535E-05 307357E-05 121767E-05 183405E-05 842098E-06 913051E-06 359284E-05 117398E-05 162433E-05 Pelargonic acid 260266E-05 990861E-06 972838E-06 414174E-06 333313E-05 211817E-05 260833E-05 949684E-06 254603E-05 12-Hydroxydodecanoic acid 477748E-05 672466E-05 153183E-05 758408E-05 717767E-05 820008E-05 799594E-05 874185E-05 658003E-05 729514E-05 439928E-05 448998E-05 3014E-05 400393E-05 422062E-05 264427E-05 48865E-05 230471E-05 192771E-05 373232E-06 185963E-05 835984E-06 612244E-06 924359E-06 399072E-06 763462E-06 514428E-06 78662E-06 591295E-06 Orotic acid 0057000008 0045968931 0044961923 0056790673 0037901237 006066932 0067975107 0057808078 0042270342 0055049361 0041964201 0038860206 0049518341 005024258 0063461913 0067411313 004683912 0060191365 0046852491 0005232875 0008536387 0008081277 0008437401 0008901163 0008419307 0009512593 0010129681 0010449785 0011454943 Palatinose 0278325114 0218895567 0241010047 0239306982 0233686409 0238229665 0237608674 022860079 0216986388 0207887081 Pantolactone 589824E-05 0000149711 921964E-05 947146E-05 0000111127 0000101031 9098E-05 0000113033 0000128123 0000125708 Phenylacetic acid 955729E-05 955762E-05 972227E-05 992966E-05 0000109182 804884E-05 539117E-05 0000102918 0000129967 823017E-05 914881E-05 0000126851 964997E-05 962751E-05 677989E-05 500831E-05 0000103386 566638E-05 933885E-05 140278E-05 407666E-05 220812E-05 238476E-05 151941E-05 170876E-05 214823E-05 102759E-05 339933E-05 255283E-05 Pterin 0000151342 0000110216 0000142155 0000148046 928659E-05 0000221105 0000169962 0000200611 000014895 0000162584 91081E-05 647346E-05 796869E-05 865643E-05 0000187676 0000145836 000011064 873666E-05 996613E-05 Pyrrole-2-carboxylic acid 557766E-06 109265E-05 993377E-06 860878E-06 141624E-05 936919E-06 109031E-05 984379E-06 104132E-05 120485E-05 Ribitol 0002038994 0001632529 0001582304 0001985603 0001215607 0003039698 0002635353 0001987464 0001560372 0001948935 000137797 0001295817 0001491984 0001510255 0002785277 0002821699 000152826 0002009453 0001651189 0000200746 0000336804 0000302847 0000299005 0000314109 0000283101 0000312943 0000333416 0000370665 0000388182 Riboflavin 623492E-05 0000172932 0000109837 0000111626 0000131347 0000124928 0000110608 0000121252 0000157964 0000157248 Salicylate 923452E-06 233454E-05 133211E-05 111941E-05 119337E-05 110612E-05 130452E-05 126032E-05 325758E-05 184649E-05 Sarcosine 0001026767 0001499482 0001504877 0001638212 0001625696 0001484917 0001680228 0001732869 0001664456 0002004371 Suberic acid 0000753399 000086335 0000684794 0000673056 0000907002 0001611501 0001977105 0001069011 0001111188 0000813181 000150087 0001102027 000136863 0001231526 0001388823 000136366 0001404889 0000979802 0001081933 72692E-05 0000210634 0000117 927305E-05 0000115445 0000101514 0000114636 0000107259 0000427583 0000161938 Succinic acid 0035990953 0020564786 0022139159 0022405729 0028704135 0049028246 0067196426 0025174884 0029969546 0025348402 0023896471 0033657039 00274873 002853711 0045080822 0052286138 0027984422 0038034624 0028063768 0001004329 0004004206 0001807252 0001819726 0001989263 0005155152 0002185214 000229786 0001919259 000342055 Sucrose 0278325114 0232147234 0248035108 0245598918 0240910577 0245084534 0244429682 0237138509 0226746917 0219339553 Taurine 0028235489 0050299096 0045741891 0046361658 0046812672 004331496 0041248656 0046769524 0050810924 00532078 Lithocholyltaurine 78813E-06 142787E-05 108851E-05 142149E-05 199412E-05 226364E-05 231181E-05 12565E-05 178729E-05 115582E-05 904361E-06 162889E-05 503902E-06 291239E-06 117609E-05 482904E-06 983073E-06 159536E-06 683136E-06 643139E-06 190664E-05 106313E-05 103877E-05 14364E-05 103677E-05 788066E-06 887329E-06 166449E-05 153111E-05 Theophylline 0002095924 0003097125 0002942063 0003226328 0003230746 0002997772 0003230571 0003553522 0003460225 0003937989 Thymidine 0000126209 0000364585 0000229931 0000202647 0000223759 0000245502 0000184998 0000231324 0000330814 0000243228 Thymine 383028E-05 549439E-05 538796E-05 472146E-05 532068E-05 482287E-05 743511E-05 253982E-05 612796E-05 408083E-05 trans-Aconitic acid 0008105568 0006542056 00061154 0007974722 0007145364 0013064663 0014919804 0009589575 0008962218 0007510058 0002032067 0004577052 0003007584 0003181738 0003572949 0003589289 0003276277 0003494594 0003736973 0004759547 trans-Cinnamic acid 137674E-05 159481E-05 140225E-05 228928E-05 212901E-05 205479E-05 121546E-05 124359E-05 174548E-05 153914E-05 295629E-06 57151E-06 148435E-05 10951E-05 360957E-06 606848E-06 209248E-05 502803E-06 225164E-05 Cyclohecane-1,2-Diol 0002107879 0001485303 0001547934 0000942318 00007691 0000635249 0001745152 0000467808 0000934289 204318E-05 14258E-05 857692E-06 317503E-05 197437E-05 267572E-05 260688E-05 32918E-05 144447E-05 378493E-05 Uracil 0000249375 0000527277 0000458096 0000365114 000048558 0006003084 0006907292 0001433421 0000683044 0000494089 0000316255 0000319019 0000204524 000029249 0004978628 0004090458 0000579629 0001257716 0000457333 0000466116 0001030498 0000758647 0000761228 0000749075 0000784738 0000790226 0000845997 0001088367 0000894404 Uric acid 0009552976 0015875721 0018132624 0019149409 0015209562 0041187692 0055340171 0027112459 0021143645 0029498074 0017055029 0031065048 0044269007 0032052799 0051692669 0074970439 0027857626 006866709 0030226227 0001367429 0002229553 0001978497 0002380337 0002131553 0002748118 0002957296 0002558683 0001854025 0003168267 Uridine diphosphate-N-acetylgalactosamine 262103E-05 0000195872 000025344 0000144372 354599E-05 454573E-05 34701E-05 0000144084 252954E-05 000012248 0000257786 0000177308 0000269084 0000197828 0000464054 0000279242 0000197822 0000168158 0000206848 Uridine diphosphate-N-acetylglucosamine 000012248 0000257786 0000177308 0000269084 0000197828 0000464054 0000279242 0000197822 0000168158 0000206848 Uridine diphosphategalactose 690183E-05 21306E-05 546534E-05 298399E-05 741134E-05 000011109 550789E-05 802234E-05 000016211 349972E-05 373736E-05 191648E-05 0000190613 967222E-05 0000149522 0000191859 594545E-05 0000301598 470465E-05 680339E-05 0000158457 0000105787 0000145922 0000103364 0000272334 0000171189 0000119382 0000101317 0000125637 Uridine diphosphate glucose 680339E-05 0000158457 0000105787 0000145922 0000103364 0000272334 0000171189 0000119382 0000101317 0000125637 Urocanic acid 0001659336 0001287836 0001928264 0001755815 0003725712 0005777274 0008024746 0005993592 000244367 0002154272 0001516331 0001146214 0001229581 0000800844 0002880631 0001858382 0001541251 0001275952 0001985502 68154E-05 0000178777 0000130086 0000158446 0000172326 0000134624 0000126366 0000177805 0000217813 0000214472 Xanthine 0000135537 0000202209 0000225413 0000231492 0000228234 0001317849 0001481414 0000472049 0000276962 0000226788 0000154095 0000190443 0000108787 000014474 0000968054 000074856 0000223821 0000310266 0000199861 299891E-05 584631E-05 398555E-05 290938E-05 505096E-05 635954E-05 39294E-05 457247E-05 910547E-05 430048E-05 Xanthosine 000046294 0000416902 0000542869 0000446013 0000356682 0001280278 0001245405 0000801582 0000515873 000070193 000031769 0000477545 0000635059 0000611123 0001222374 0001553812 0000570902 000107676 0000548815 Xylitol 0000200671 0000337097 0000302725 0000298956 0000314331 0000282259 0000312872 0000333371 0000370526 0000387927 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name HMDB PubChem KEGG L-Lactic acid HMDB0000190 61503 C00256 1-Hydroxy-2-naphthoate METPA0374 54675865 C03203 3-Hydroxycapric acid HMDB0002203 26612 C02774 Deoxyguanosine HMDB0000085 187790 C00330 2-Aminophenol METPA0236 C01987 2-Deoxy-D-Glucose HMDB0062477 82756 C00586 Ortho-Hydroxyphenylacetic acid HMDB0000669 11970 C05852 2-Methylglutaric acid HMDB0000422 12046 Citraconic acid HMDB0000634 643798 C02226 Isobutyric acid HMDB0001873 6590 C02632 Oxoadipic acid HMDB0000225 71 C00322 2-Amino-4-oxo-6-(1',2'-dioxoprolyl)-7,8-dihydroxypteridine HMDB0001410 440598 C03212 2,4-dihydroxypyrimidine-5-carboxylic acid C03030 2,5-dihydroxybenzoate C00628 Cyclic AMP HMDB0000058 6076 C00575 3-(2-Hydroxyphenyl)propanoic acid HMDB0033752 873 C01198 3-Amino-4-hydroxybenzoic acid C12115 3-Amino-5-hydroxybenzoic acid C12107 3-Aminoisobutanoic acid HMDB0003911 64956 C05145 3-Hydroxymethylglutaric acid HMDB0000355 1662 C03761 3-Hydroxyanthranilic acid HMDB0001476 86 C00632 3-hydroxybenzaldehyde C03067 3-Hydroxybenzoic acid HMDB0002466 7420 C00587 3-hydroxyphenylacetate C05593 3-methyglutaric acid CA1192 Ketoleucine HMDB0000695 70 C00233 3-Methyladenine HMDB0011600 1673 C00913 Ureidopropionic acid HMDB0000026 111 C02642 Protocatechuic acid HMDB0001856 72 C00230 3,4-Dihydroxybenzeneacetic acid HMDB0001336 547 C01161 4-Acetamidobutanoic acid HMDB0003681 18189 C02946 4-Hydroxybenzaldehyde HMDB0011718 126 C00633 4-Hydroxybenzoic acid HMDB0000500 135 C00156 p-Hydroxyphenylacetic acid HMDB0000020 127 C00642 Imidazoleacetic acid HMDB0002024 96215 C02835 5'-Deoxyadenosine HMDB0001983 439182 C05198 5-Hydroxyindoleacetic acid HMDB0000763 1826 C05635 Pimelic acid HMDB0000857 385 C02656 6-deoxy-l-galactose Acetoacetic acid HMDB0000060 96 C00164 Adenine HMDB0000034 190 C00147 Adenosine HMDB0000050 60961 C00212 Adipic acid HMDB0000448 196 C06104 allose Alpha-D-Glucose HMDB0003345 79025 C00267 arabinose Azelaic acid HMDB0000784 2266 C08261 Benzoic acid HMDB0001870 243 C00180 Benzyl alcohol HMDB0003119 244 C00556 Butyric acid HMDB0000039 264 C00246 Caffeic acid HMDB0001964 1549111 C01481 Caprylic acid HMDB0000482 379 C06423 Pyrocatechol HMDB0000957 289 C00090 Cholic acid HMDB0000619 221493 C00695 Citrulline HMDB0000904 9750 C00327 cytidine 2,3-cyclic monophosphate C02354 cellobiose fructose galactose D-Lyxose NA 3759 C00476 Ornithine HMDB0000214 6262 C00077 Pantothenic acid HMDB0000210 988 C00864 ribose sorbitol tagatose Deoxycytidine HMDB0000014 13711 C00881 Dihydroxyacetone phosphate HMDB0001473 668 C00111 Ethylmalonic acid HMDB0000622 11756 C02170 Galactitol HMDB0000107 11850 C01697 Glycerol 3-phosphate HMDB0000126 439162 C00093 Guanine HMDB0000132 764 C00242 Caproic acid HMDB0000535 8892 C01585 Hippuric acid HMDB0000714 464 C01586 Homogentisic acid HMDB0000130 780 C00544 L-Homoserine HMDB0000719 12647 C00263 Homovanillic acid HMDB0000118 1738 C05582 Hydroquinone HMDB0002434 785 C00530 Hypotaurine HMDB0000965 107812 C00519 Indoleacetic acid HMDB0000197 802 C00954 Tryptophanol HMDB0003447 10685 C00955 Indoxyl sulfate HMDB0000682 10258 Inosine HMDB0000195 6021 C00294 Itaconic acid HMDB0002092 811 C00490 L-Allothreonine HMDB0004041 99289 C05519 L-Arabitol HMDB0001851 439255 C00532 L-Arginine HMDB0000517 6322 C00062 L-Asparagine HMDB0000168 6267 C00152 L-Glutamic acid HMDB0000148 33032 C00025 L-Glutamine HMDB0000641 5961 C00064 L-Serine HMDB0000187 5951 C00065 Sorbose L-Threonine HMDB0000167 6288 C00188 L-Tyrosine HMDB0000158 6057 C00082 L-Valine HMDB0000883 6287 C00183 Lumichrome METPA0216 5326566 C01727 Mandelic acid HMDB0000703 439616 C01984 Mannitol HMDB0000765 6251 C00392 D-Mannose HMDB0000169 18950 C00159 Methyl beta-D-glucopyranoside HMDB0029965 2108 C03619 Methyl jasmonate HMDB0036583 5367719 C11512 Methylmalonic acid HMDB0000202 487 C02170 Mono-methyl glutaric acid myo-Inositol HMDB0000211 892 C00137 N-Acetylgalactosamine HMDB0000212 84265 C01074 N-Acetylmannosamine HMDB0001129 11096158 C00645 N-Acetylleucine HMDB0011756 70912 C02710 N-Acetyl-L-phenylalanine HMDB0000512 74839 C03519 N6-(delta2-Isopentenyl)-adenine METPA1684 92180 C04083 Pelargonic acid HMDB0000847 8158 C01601 12-Hydroxydodecanoic acid HMDB0002059 79034 C08317 Orotic acid HMDB0000226 967 C00295 Palatinose Pantolactone HMDB0059876 C01012 Phenylacetic acid HMDB0000209 999 C07086 Pterin HMDB0000802 73000 C00715 Pyrrole-2-carboxylic acid HMDB0004230 12473 C05942 Ribitol HMDB0000508 6912 C00474 Riboflavin HMDB0000244 493570 C00255 Salicylate C00805 Sarcosine HMDB0000271 1088 C00213 Suberic acid HMDB0000893 10457 C08278 Succinic acid HMDB0000254 1110 C00042 Sucrose HMDB0000258 5988 C00089 Taurine HMDB0000251 1123 C00245 Lithocholyltaurine HMDB0000722 53477716 C02592 Theophylline HMDB0001889 2153 C07130 Thymidine HMDB0000273 5789 C00214 Thymine HMDB0000262 1135 C00178 trans-Aconitic acid HMDB0000958 444212 C02341 trans-Cinnamic acid HMDB0000930 444539 C00423 Cyclohecane-1,2-Diol C03739 Uracil HMDB0000300 1174 C00106 Uric acid HMDB0000289 1175 C00366 Uridine diphosphate-N-acetylgalactosamine HMDB0000304 1167 C00203 Uridine diphosphate-N-acetylglucosamine C00043 Uridine diphosphategalactose HMDB0000302 18068 C00052 Uridine diphosphate glucose HMDB0000286 53477679 C00029 Urocanic acid HMDB0000301 736715 C00785 Xanthine HMDB0000292 1188 C00385 Xanthosine HMDB0000299 64959 C01762 Xylitol METABOLITES_END #END