#METABOLOMICS WORKBENCH cmartias_20210927_023119_mwtab.txt DATATRACK_ID:2869 STUDY_ID:ST001968 ANALYSIS_ID:AN003206 PROJECT_ID:000000 VERSION 1 CREATED_ON September 27, 2021, 3:33 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 factor that can also alter animal integrity PR:PROJECT_SUMMARY and welfare. Some studies have al-ready 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 (Nu-clear Magnetic PR:PROJECT_SUMMARY Resonance or Mass Spectrometry). Only few studies with multi-platform PR:PROJECT_SUMMARY ap-proaches are also used with a single or a multi type of sample, but they PR:PROJECT_SUMMARY mainly consider dairy cows metabolome although dairy goats present similar PR:PROJECT_SUMMARY diseases, that it could be interesting to detect early to preserve animal health PR:PROJECT_SUMMARY and milk production. This study aims to create a metabol-ic atlas of goat PR:PROJECT_SUMMARY plasma, milk and feces, based on healthy animals. Our study describes a Standard PR:PROJECT_SUMMARY Operating Procedure for three goat matrices: blood plasma, milk, and feces using PR:PROJECT_SUMMARY multiple plat-forms (NMR (1H), UHPLC (RP)-MS and UHPLC (HILIC)-MS) that follows PR:PROJECT_SUMMARY a unique sample prep-aration 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 plas-ma, milk and ST:STUDY_TITLE feces using 1H-NMR and UHPLC-HRMS ST:STUDY_SUMMARY Metabolomics has been increasingly used in animal and food sciences. Animal ST:STUDY_SUMMARY health is one of the most important factor that can also alter animal integrity ST:STUDY_SUMMARY and welfare. Some studies have al-ready 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 (Nu-clear Magnetic ST:STUDY_SUMMARY Resonance or Mass Spectrometry). Only few studies with multi-platform ST:STUDY_SUMMARY ap-proaches are also used with a single or a multi type of sample, but they ST:STUDY_SUMMARY mainly consider dairy cows metabolome although dairy goats present similar ST:STUDY_SUMMARY diseases, that it could be interesting to detect early to preserve animal health ST:STUDY_SUMMARY and milk production. This study aims to create a metabol-ic atlas of goat ST:STUDY_SUMMARY plasma, milk and feces, based on healthy animals. Our study describes a Standard ST:STUDY_SUMMARY Operating Procedure for three goat matrices: blood plasma, milk, and feces using ST:STUDY_SUMMARY multiple plat-forms (NMR (1H), UHPLC (RP)-MS and UHPLC (HILIC)-MS) that follows ST:STUDY_SUMMARY a unique sample prep-aration 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 #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 - P_200_P1_1 Protocole:P1 RAW_FILE_NAME=P_200_P1_1 SUBJECT_SAMPLE_FACTORS - P_200_P1_2 Protocole:P1 RAW_FILE_NAME=P_200_P1_2 SUBJECT_SAMPLE_FACTORS - P_200_P1_3 Protocole:P1 RAW_FILE_NAME=P_200_P1_3 SUBJECT_SAMPLE_FACTORS - P_200_P1_4 Protocole:P1 RAW_FILE_NAME=P_200_P1_4 SUBJECT_SAMPLE_FACTORS - P_200_P1_5 Protocole:P1 RAW_FILE_NAME=P_200_P1_5 SUBJECT_SAMPLE_FACTORS - P_200_P1_6 Protocole:P1 RAW_FILE_NAME=P_200_P1_6 SUBJECT_SAMPLE_FACTORS - P_200_P1_7 Protocole:P1 RAW_FILE_NAME=P_200_P1_7 SUBJECT_SAMPLE_FACTORS - P_200_P1_8 Protocole:P1 RAW_FILE_NAME=P_200_P1_8 SUBJECT_SAMPLE_FACTORS - P_200_P1_9 Protocole:P1 RAW_FILE_NAME=P_200_P1_9 SUBJECT_SAMPLE_FACTORS - P_200_P1_10 Protocole:P1 RAW_FILE_NAME=P_200_P1_10 SUBJECT_SAMPLE_FACTORS - P_200_P2_1 Protocole:P2 RAW_FILE_NAME=P_200_P2_1 SUBJECT_SAMPLE_FACTORS - P_200_P2_2 Protocole:P2 RAW_FILE_NAME=P_200_P2_2 SUBJECT_SAMPLE_FACTORS - P_200_P2_3 Protocole:P2 RAW_FILE_NAME=P_200_P2_3 SUBJECT_SAMPLE_FACTORS - P_200_P2_4 Protocole:P2 RAW_FILE_NAME=P_200_P2_4 SUBJECT_SAMPLE_FACTORS - P_200_P2_5 Protocole:P2 RAW_FILE_NAME=P_200_P2_5 SUBJECT_SAMPLE_FACTORS - P_200_P2_6 Protocole:P2 RAW_FILE_NAME=P_200_P2_6 SUBJECT_SAMPLE_FACTORS - P_200_P2_7 Protocole:P2 RAW_FILE_NAME=P_200_P2_7 SUBJECT_SAMPLE_FACTORS - P_200_P2_8 Protocole:P2 RAW_FILE_NAME=P_200_P2_8 SUBJECT_SAMPLE_FACTORS - P_200_P2_9 Protocole:p2 RAW_FILE_NAME=P_200_P2_9 SUBJECT_SAMPLE_FACTORS - P_200_P2_10 Protocole:p2 RAW_FILE_NAME=P_200_P2_10 SUBJECT_SAMPLE_FACTORS - P_200_P4_1 Protocole:P4 RAW_FILE_NAME=P_200_P4_1 SUBJECT_SAMPLE_FACTORS - P_200_P4_2 Protocole:P4 RAW_FILE_NAME=P_200_P4_2 SUBJECT_SAMPLE_FACTORS - P_200_P4_3 Protocole:P4 RAW_FILE_NAME=P_200_P4_3 SUBJECT_SAMPLE_FACTORS - P_200_P4_4 Protocole:P4 RAW_FILE_NAME=P_200_P4_4 SUBJECT_SAMPLE_FACTORS - P_200_P4_5 Protocole:P4 RAW_FILE_NAME=P_200_P4_5 SUBJECT_SAMPLE_FACTORS - P_200_P4_6 Protocole:P4 RAW_FILE_NAME=P_200_P4_6 SUBJECT_SAMPLE_FACTORS - P_200_P4_7 Protocole:P4 RAW_FILE_NAME=P_200_P4_7 SUBJECT_SAMPLE_FACTORS - P_200_P4_8 Protocole:P4 RAW_FILE_NAME=P_200_P4_8 SUBJECT_SAMPLE_FACTORS - P_200_P4_9 Protocole:P4 RAW_FILE_NAME=P_200_P4_9 SUBJECT_SAMPLE_FACTORS - P_200_P4_10 Protocole:P4 RAW_FILE_NAME=P_200_P4_10 #COLLECTION CO:COLLECTION_SUMMARY - CO:SAMPLE_TYPE Blood (plasma) #TREATMENT TR:TREATMENT_SUMMARY P1 : Blood:MeOH:CHCl3 1:1:1 P2: Blood:MeOH:CHCl3 1:2.5:2.5 P4: Blood:MeOH:CHCl3 TR:TREATMENT_SUMMARY 1:8 #SAMPLEPREP SP:SAMPLEPREP_SUMMARY - #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Phenomenex CH:COLUMN_NAME Phenomenex Kinetex XB-C18 (1.7µm 100 A 150x 2.1mm) #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS - #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS SI MS_METABOLITE_DATA_START Samples P_200_P1_1 P_200_P1_2 P_200_P1_3 P_200_P1_4 P_200_P1_5 P_200_P1_6 P_200_P1_7 P_200_P1_8 P_200_P1_9 P_200_P1_10 P_200_P2_1 P_200_P2_2 P_200_P2_3 P_200_P2_4 P_200_P2_5 P_200_P2_6 P_200_P2_7 P_200_P2_8 P_200_P2_10 P_200_P2_9 P_200_P4_1 P_200_P4_2 P_200_P4_3 P_200_P4_4 P_200_P4_5 P_200_P4_6 P_200_P4_7 P_200_P4_8 P_200_P4_9 P_200_P4_10 Factors Protocole:P1 Protocole:P1 Protocole:P1 Protocole:P1 Protocole:P1 Protocole:P1 Protocole:P1 Protocole:P1 Protocole:P1 Protocole:P1 Protocole:P2 Protocole:P2 Protocole:P2 Protocole:P2 Protocole:P2 Protocole:P2 Protocole:P2 Protocole:P2 Protocole:p2 Protocole:p2 Protocole:P4 Protocole:P4 Protocole:P4 Protocole:P4 Protocole:P4 Protocole:P4 Protocole:P4 Protocole:P4 Protocole:P4 Protocole:P4 1-Methyladenosine 746103E-05 0000137574 555871E-05 999387E-05 990622E-05 0000112266 80588E-05 745177E-05 64298E-05 2,3-Dihydroxypropyl tetradecanoate 0000358443 0000731927 0000437942 0000316305 0000371941 0000289883 0000348821 0000215619 000021255 0000243818 0000224725 0000194189 0000216441 0000183089 0000351308 0000225925 0000213452 0000194985 0005431481 0005784409 0003870785 0004383891 000410067 0003091942 0003606733 0003086263 0004304635 2',4'-Dihydroxyacetophenone 00001491 0000169399 000018745 0000138867 0000120301 0000147908 000015291 0000141335 0000124198 0000156732 0000157458 0000129484 0000150832 0000129219 0000133618 0000162157 00001345 0000137628 2-Aminophenol 0001011716 0002145639 0001117704 0001394927 0000777233 0000675496 0000635016 0000584729 0000457002 0000563608 0000636645 000050771 0000636915 0000565058 0001125453 0000713205 0000559753 0000500696 463249E-05 340852E-05 261654E-05 531578E-05 466465E-05 241939E-05 393033E-05 344711E-05 346804E-05 3-(2-Hydroxyphenyl)propanoic acid 270009E-05 267598E-05 260608E-06 32658E-06 179266E-05 201137E-05 24702E-05 915074E-06 3-Amino-5-hydroxybenzoic acid 556572E-05 252817E-05 373621E-05 398875E-05 494462E-05 28324E-05 74924E-05 419727E-05 501044E-05 3-Hydroxycapric acid 0000118876 984901E-06 0000148914 953605E-05 926321E-05 836667E-05 86806E-05 694348E-05 629692E-05 698556E-05 0000100137 771808E-05 857833E-05 789483E-05 0000170273 835614E-05 859894E-05 781858E-05 3-Methyldioxyindole 0001226624 0002032985 0001496887 0001705174 0001550766 0001293317 0001410129 0001411912 0001390617 4-Guanidinobutanoic acid 737265E-05 636484E-05 85938E-05 576333E-05 436654E-05 539799E-05 52382E-05 62467E-05 490881E-05 63827E-05 7858E-05 47565E-05 521522E-05 879791E-05 717913E-05 633749E-05 586636E-05 546903E-05 74051E-05 617864E-05 634493E-05 3987E-05 4984E-05 371651E-05 330742E-05 676145E-05 23025E-05 4-Hydroxy-L-proline 000019442 0000243578 0000169218 0000242908 0000235258 0000203968 0000279162 0000256111 0000240863 0000268076 0000286569 0000291111 0000269049 0000277827 0000420894 000030312 0000302148 0000265743 000016385 676836E-05 758358E-05 622971E-05 000013398 583832E-05 0000166327 862954E-05 0000113932 4-Hydroxyphenylpyruvic acid 908901E-05 0001128005 0000833728 0000539493 868542E-05 676451E-05 873714E-05 0000392349 536659E-05 653937E-05 823446E-05 59082E-05 598569E-05 683609E-05 0000129122 731093E-05 706685E-05 711232E-05 4-Trimethylammoniobutanoic acid 0000381394 0000323319 0000363196 0000379049 0000385795 0000410752 0000456064 0000404486 0000377444 0000453716 0000520193 0000404173 0000442 0000441138 0000565827 0000439012 0000446502 0000428299 0000849738 0000616525 0000643998 0000664323 0000683126 0000682866 000075533 0000733054 0000836227 5-Aminolevulinic acid 000019442 0000243578 0000169218 0000242908 0000235258 0000203968 0000279162 0000256111 0000240863 0000268076 0000286569 0000291111 0000269049 0000277827 0000420894 000030312 0000302148 0000265743 000016385 676836E-05 758358E-05 622971E-05 000013398 583832E-05 0000166327 862954E-05 0000113932 5-Aminopentanoic acid 0045776787 0030975964 004676972 0055748418 0046679287 0051806544 0056682405 0054138813 0051853622 0061236304 0062235706 0053208339 0053569148 0052047411 0052328626 0058161381 005246258 0051317021 0043100307 0032462431 0045994719 0037550346 0039854861 0045106903 0035586113 0040468307 0034174648 5-Hydroxyindoleacetic acid 683954E-05 763854E-05 832335E-05 716147E-05 597555E-05 743145E-05 689788E-05 654728E-05 536997E-05 696798E-05 69963E-05 581605E-05 62047E-05 613584E-05 581193E-05 596206E-05 550365E-05 565921E-05 863754E-05 0000100493 807905E-05 856363E-05 947529E-05 939233E-05 849306E-05 969637E-05 905602E-05 5'-Methylthioadenosine 0000154366 0000194975 0000184073 0000116579 805901E-05 0000125706 0000187164 0000100014 0000101993 0000127723 0000149451 828377E-05 771503E-05 0000124193 742823E-05 980153E-05 897843E-05 872075E-05 0000212606 0000239301 0000245112 0000254175 0000236212 0000212792 0000186671 0000224302 0000198834 Adenine 442818E-05 346391E-05 452551E-05 607975E-05 612082E-05 479646E-05 493066E-05 614716E-05 563387E-05 689852E-05 795629E-05 649793E-05 540002E-05 543368E-05 803199E-05 743077E-05 709402E-05 594802E-05 Adenosine 0000225188 0000293406 000022143 0000248245 000018995 0000202088 0000103517 0000188412 0000187532 0000814095 0000239899 0000234878 0000237123 000028951 000016547 0000277475 0000238226 0000338167 0001478136 0002024472 0001827902 0001705368 0001570309 0001426652 000167774 0001552037 0001430228 Adipic acid 0000349003 0000387789 0000446325 0000390443 0000339819 0000390432 0000426985 0000386553 0000338747 0000459508 000043873 0000351578 0000348053 0000371914 000032314 0000432127 0000365745 0000392159 0000692782 0000786688 0000797847 0000774896 0000762345 0000787232 0000656433 0000784961 0000709603 Allantoin 0000896998 0000862961 0001067505 0000952621 0000885627 0000855672 0001011431 0000855655 0000763147 0000962722 0001100213 000089235 0000917974 0000929891 000135826 0000993964 0000925126 0000947074 0000650538 0000594684 0000452808 0000574193 0000641952 0000457813 0000622728 0000566066 0000610451 All-trans-retinoic acid 0001399349 0002117972 0001811667 0001785869 0001623495 0001501719 0001379496 00015038 0001481894 Aminoadipic acid 0000223908 0000205622 0000185613 0000191643 0000244144 0000185955 0000188193 0000192717 244506E-05 618542E-06 156493E-05 818443E-06 172124E-05 186843E-05 240084E-05 168035E-05 153637E-05 Anserine 527946E-06 75602E-06 776749E-06 532541E-06 212749E-05 834448E-06 277837E-06 622654E-06 Beta-Alanine 0000807256 000150222 0000730672 0001027946 0000877655 0000772121 0001037356 0000895981 0000864925 000098844 0001083638 0000930169 0001055182 0000986893 0001367501 0001116478 0001013152 0001035792 0000835368 0000558932 0000457607 0000541657 0000643893 0000432116 0000998521 0000660599 0000885549 Betaine 0074167341 0084554226 0080433087 0081827578 0075586906 0073813517 0087599681 0077417037 0073946786 0090343995 0096332332 0082427457 0083915361 0082172458 0104800817 0089496905 0082072281 0086339973 0084216842 0068276876 0067289428 007327991 0072342737 0070230753 0080381812 007938537 0081061192 Biotin 58342E-05 720902E-05 874184E-05 566901E-05 464589E-05 523487E-05 586711E-05 505514E-05 433739E-05 568839E-05 710483E-05 0000118363 0000100456 0000110092 000011801 984497E-05 899983E-05 0000101942 821395E-05 Carnosine 0000154617 0000386713 0000183676 0000208387 0000187912 0000164003 0000214352 0000183431 0000217013 0000271753 0000240139 0000215697 0000202594 0000215396 0000463572 0000252306 0000232709 0000233232 0000226009 0000127588 0000113341 0000117071 0000136342 0000104411 000022921 0000148198 0000178715 Cholic acid 202481E-05 386207E-05 188404E-05 138386E-05 18692E-05 744499E-06 168836E-05 0000142326 132598E-05 111803E-05 206297E-05 139241E-05 129693E-05 140803E-05 272771E-05 204494E-05 220215E-05 113894E-05 Choline 25566E-05 664761E-05 428433E-05 13046E-05 16527E-05 826857E-06 597901E-06 522819E-06 792125E-06 288375E-06 147653E-05 13776E-05 974869E-06 118637E-05 233156E-05 152598E-05 126885E-05 156033E-05 429395E-05 682885E-05 36384E-05 768699E-05 652419E-05 398681E-05 596099E-05 415859E-05 224117E-05 Citrulline 0001681146 000150875 0001497865 0002279925 0001984622 0001817896 0002496598 0002191704 0002167323 0002662361 0002627211 0002382703 000249225 0002469412 000320324 0002547509 0002443822 0002699397 0001331018 0000773673 0000919093 0000787229 0000914902 0000912786 0001198215 0001149586 0001127343 Corticosterone 0000263143 000029803 0000143969 0000220333 0000235648 0000145561 0000259361 0000273609 000021857 Cortisol 451478E-05 0000103585 565721E-05 334901E-05 147691E-05 328967E-05 265666E-05 198825E-05 130804E-05 203132E-05 0000910678 0000909161 0000872366 0001006309 0001034828 0000769192 0000786239 0000787056 0001139196 Cortisone 483478E-05 36576E-05 270818E-05 585183E-05 284721E-05 31142E-05 739539E-05 571348E-05 702018E-05 Creatine 002105583 0016825698 0020886389 00253937 0023079495 0024071691 0029823436 0026227564 0026983353 0033547344 0031593213 0026894593 0027242006 0028134366 0027700294 0030157765 0026838862 0029370245 0019981908 0016374963 0018154209 0016862134 001742855 0018817026 0018926628 0018960844 0018609793 Creatinine 0003803916 0019098263 0004849624 0004124486 0003528398 0003306673 0004290574 0003678452 0003740712 0004111604 0004402525 0003515926 0003509559 0003652053 0005139623 0004121881 0003796309 000361402 0009037447 0010210231 0005205164 0008162486 0007916277 0004746922 0012533936 0007199244 0011127889 Cytosine 0002144331 000236763 0002524519 0002094313 000185737 0001929676 000220251 0001709957 0001594499 0001929627 0002274092 0001784271 0001703509 0001752385 0002142077 0001923693 000172909 0001618903 0001306688 0001122318 0001491513 0001201622 0001317793 0001619532 0001454825 0001580007 0001563005 Deoxyguanosine 146611E-05 20421E-05 243771E-05 408433E-05 238994E-05 118542E-05 138797E-05 193775E-05 195883E-05 D-Galactosamine 0000115042 000011792 0000114655 0000125382 895076E-05 817182E-05 000012702 87315E-05 66785E-05 909776E-05 0000122088 0000101743 0000100701 0000102897 0000168187 777278E-05 893309E-05 899024E-05 Diaminopimelic acid 0000490746 0000964995 0000672833 0000368254 0000352394 0000293496 0000284505 0000255718 197764E-05 159682E-05 0000300693 0000222897 0000254783 108436E-05 0000459117 0000225817 0000190196 0000186221 0000382853 000049122 0000321919 0000399518 0000346972 0000262002 0000172868 000032771 000031707 Diethanolamine 824948E-05 0000309851 0000127479 810603E-05 693188E-05 663296E-05 6294E-05 589152E-05 544965E-05 537394E-05 871856E-05 714507E-05 767469E-05 609711E-05 0000157383 0000100325 7641E-05 688349E-05 0000110256 886893E-05 81863E-05 848915E-05 809548E-05 997342E-05 0000121527 0000101812 0000112946 D-Lyxose 0000598203 0000422129 0000653176 0000523108 0000534903 000069739 0000573631 0000604637 0000527309 Dopamine 0000257341 0000250913 0000395802 0000317616 0000296911 00004383 0000262932 0000289143 000025518 Epinephrine 0000154809 0000517695 0000166569 0000134845 0000130668 829612E-05 0000104943 965795E-05 926599E-05 996997E-05 0000117845 0000118311 0000135517 0000127716 0000386427 000015451 0000144879 0000136041 0000553257 0000430959 0000231288 0000334928 0000360085 0000160155 0000646916 0000380853 0000581713 Gamma-Aminobutyric acid 0000413167 0000338881 0000414515 0000516 0000485635 000045829 0000555102 0000537511 000051286 0000638122 0000633938 0000533651 0000533685 000052772 0000573947 0000657623 0000554612 0000574811 000028339 000013002 0000234261 0000189686 0000213771 0000259186 0000157911 0000203322 000026121 Glycerophosphocholine 0000207451 0000149358 000018289 0000255125 0000238731 0000208624 0000261226 0000192716 000021888 0000241387 0000289472 0000253761 0000262294 0000249526 0000384605 0000278009 0000267616 000025217 0000885796 0000665679 0000908236 0000681878 0000661864 0000481023 0000687129 000081581 0000695787 Glyceryl monoacetate 309427E-05 707363E-05 433045E-05 251364E-05 327426E-05 292948E-05 309138E-05 203754E-05 191519E-05 197353E-05 298438E-05 219763E-05 202485E-05 210869E-05 38122E-05 239581E-05 238585E-05 150568E-05 Glycine 0000126159 0000311248 0000124168 000021675 0000195896 0000132764 0000180493 0000187693 000015733 0000177137 0000254762 0000219397 0000245373 0000195464 0000443044 0000239025 0000230477 0000220132 0000226062 0000112549 720623E-05 936831E-05 0000151435 714033E-05 0000205391 0000138844 0000172796 Glycocholic acid 0013233722 0015269342 0017398476 0012014467 001176785 0012245869 0012602711 001133141 0010701086 0011913115 0014701305 0009962114 0010650567 0011164046 0009044519 0012680787 0010616471 0010224457 Guanidoacetic acid 366463E-05 931583E-05 471117E-05 464134E-05 372059E-05 326887E-05 483469E-05 491521E-05 397764E-05 361579E-05 39155E-05 368731E-05 298414E-05 413172E-05 631256E-05 402578E-05 391666E-05 308532E-05 473488E-05 334517E-05 327507E-05 354008E-05 481172E-05 313809E-05 55089E-05 441789E-05 535307E-05 Guanine 0000440042 0000298171 0000475457 0000337792 0000380078 0000335939 0000383719 0000414959 0000322769 Guanosine 0001813587 0001696092 0002052281 0001593303 0001765029 0001873375 0001596922 000184742 646382E-06 Guanosine monophosphate 240974E-05 177682E-05 186033E-05 135824E-05 158978E-05 154102E-05 178335E-05 115261E-05 117893E-05 204009E-05 204042E-05 158357E-05 134407E-05 144588E-05 135775E-05 251326E-05 210797E-05 150733E-05 Hippuric acid 014414505 0171397776 017524898 0142237387 0124410297 0133391428 0142972368 012835406 0117509207 0148419583 0154255123 0126545735 0123824254 0131927876 012142864 0140375185 0125122144 0126109892 0174714192 0195028373 0193392824 0193044054 0189217153 0178770105 0176030639 0178888448 0174723543 Homogentisic acid 103883E-05 686403E-06 464759E-06 447536E-06 839672E-06 189298E-05 449699E-06 612248E-06 564596E-06 438888E-06 Hypoxanthine 0009480043 0011674677 0011061561 0009477032 0008306537 0008964467 0010233347 0008466207 0007796202 0009574007 0009684777 0007820513 0008072922 00084347 0007483488 0009237407 0008243283 0008105915 0011139803 0010924189 0011244107 0011292069 0011139015 001072188 0010903158 0010838554 0010987079 Indoleacetic acid 0005400408 0007142392 0007207569 0004975703 0004465644 0005184424 0005255642 0004574662 0004085516 0005194002 0005662525 0004226612 0004173072 0004404434 0003843756 000499297 00042716 000438479 0004112018 0005469187 0005216946 0005152286 0004808994 0004720179 0004369181 0004598683 0004434121 Inosine 0002499704 0001875288 0002607857 0002802124 0002403592 0002489211 000302332 0002640988 0002496127 0002791362 0003282247 0002546967 0002724629 0002735687 0002690562 0002944571 0002742786 0002717161 0004430476 0003672845 0004387884 000378454 0003843761 0004385654 0003833268 000409407 0003775189 L-Arginine 0003656313 0006893638 0004593602 0003222349 0003271448 0001998647 0002476277 0002138195 0002143623 000238791 0002900403 0002760105 0002899131 000251905 0009005801 0003421609 0003159205 0002798029 0004719676 0002977014 0003239975 0003161154 0003568714 000296543 0005075778 0004212824 0004307413 L-Asparagine 812729E-05 0000159555 678867E-05 828047E-05 928764E-05 595785E-05 816101E-05 557141E-05 623879E-05 621533E-05 866565E-05 747256E-05 912525E-05 815266E-05 0000173855 88263E-05 840949E-05 899364E-05 706606E-05 522192E-05 393338E-05 353211E-05 542705E-05 351321E-05 759421E-05 675376E-05 725695E-05 L-Aspartic acid 102621E-05 177054E-05 977973E-06 113501E-05 140421E-05 627911E-06 142198E-05 139986E-05 105191E-05 72422E-06 107188E-05 716147E-06 158386E-05 556619E-06 347231E-05 130029E-05 140318E-05 123881E-05 L-Carnitine 0005236881 0007936219 0005015477 0004870714 0004552188 0003161342 0003847745 0003530615 0003283528 0002934599 0004865261 0004137195 000442324 0003987195 0008897023 0005129588 0004795532 0004033351 0009260049 0006419277 0005906896 0007189564 0006837492 0004864986 0009430361 0007846746 0008938126 Leukotriene B4 0000338082 0000420393 0000406466 0000357408 0000298399 0000376476 0000427042 0000358275 000034982 0000376735 0000446781 0000340772 0000355188 0000362795 000031345 0000413431 000030741 000032018 0001219493 0001105172 0001317912 0001208009 0001174006 0001220219 0001117621 0001198435 0001065787 L-Glutamic acid 0000735727 0000666984 0000710889 0000974974 0000878589 0000788883 0001007525 0000931162 0000950049 0001023774 0001140754 0001031402 0001158051 0001063408 0001615608 0001187263 0001021778 0001124488 0000357095 0000218539 0000241023 0000194567 0000242706 0000162983 0000289301 0000223615 0000295103 L-Glutamine 0001939433 0003153086 0002024507 0002478426 0002181688 0001636819 0002478768 0002010791 0001972537 0002177117 0002713691 000224913 000248933 0002310279 0004219061 0002543581 0002418902 0002528233 0001935029 0001274868 0001105366 0001148072 0001446981 0001236922 0002026667 0001506345 0001720537 L-Histidine 0000802567 0001001333 0001009775 0000858229 0000752491 0000677955 0000686682 000063487 000033979 0000389838 0000461008 0000456167 0000461612 0000677717 0001118242 0000506881 0000510609 0000440567 0000665451 0000403937 0000379465 0000401944 0000471524 0000378158 0000624876 0000480775 0000537889 L-Kynurenine 0002500164 0002548137 0002909096 0002614533 0002329467 0002591329 0002915515 0002562491 0002449432 0003033385 0003034312 0002333177 0002446915 0002527436 0002191011 0002716591 0002496023 0002524208 0005212053 0005171249 0005484434 0005217995 0005275215 0005697877 0004922419 0005369041 0004901924 L-Lysine 0002483673 0001503908 0002640047 0002693501 0002493161 0002347979 0002330673 0002372704 0002085378 0002425752 0002700788 0002543266 0002634215 0002298139 0004804972 0002869252 0002551006 0002465459 0000853769 0000523447 0000822488 0000646004 0000656656 0000580956 0000686594 0000643205 0000572258 L-Methionine 0000205951 80708E-05 0000148374 0000157322 0000122851 0000140526 0011768153 0011465056 0011548105 0013780528 0012117845 0000112651 99836E-05 0009630347 961147E-05 001137719 937519E-05 474468E-05 0009556602 0006967787 0010831078 0008444412 0009015565 0011937148 0008968392 0010432717 0009051963 L-Norvaline 0045780826 0030980335 0046782862 0055765047 0046681923 0051806772 0056683229 0054171353 0051854632 0061243455 0062237881 0053218572 0053569004 0052043394 0052328583 0058164395 0052462996 0051319887 0037683781 0028524171 0041122113 003277421 0035565285 0038575413 0028851548 0034536373 0028946203 L-Phenylalanine 0067043095 0062330044 007692799 0075379668 0064227523 0073941309 0082983457 0076469015 0072132409 008954681 0086300841 007041815 006946445 0075225522 006282052 0083113735 0074416976 0073430274 0117740242 0114529158 013746789 0126302046 0117436132 0134848184 0113073388 0124422702 0111076854 L-Proline 0019708496 001203796 0019658998 0024619793 0021130507 0023642753 002867768 0025667493 0024801093 0032336308 00292231 0024391509 0024923096 0024903719 0024524611 0026260831 0023843063 0024269013 0011254081 0008513544 0010673288 0008467612 0009699435 0010722701 0010025992 0010512358 0010285963 L-Serine 0000114669 0000275601 0000125294 0000143862 0000134298 897035E-05 0000122269 0000115205 0000108487 0000120905 0000154118 0000128724 000013314 0000131107 0000293097 0000158996 0000148079 0000150796 0000133642 0000104267 608773E-05 818719E-05 852891E-05 802294E-05 0000131986 947805E-05 0000129639 L-Threonine 0000477324 0000752233 0000529821 000065951 0000589153 0000498506 0000721292 0000621061 0000569752 0000742435 0000790182 0000631748 0000706212 0000672636 0000953977 000071316 00006619 0000726272 0000496592 0000313378 0000314204 0000303731 0000373936 0000297054 0000518843 0000386013 0000467227 L-Tryptophan 0064848476 0064590102 0077698516 0066877108 0059114993 900064E-06 0069771445 281043E-06 005888208 297293E-06 0109372531 012304741 0129192598 0122592641 0121816921 0122292452 010687793 0119505376 0107321081 L-Tyrosine 0029895085 0023150129 0032689608 0034666752 0029800204 0032191141 0037187064 0034806796 0031392242 0039113469 0038718448 0032528424 0033729326 0033672544 0032475197 0039038277 0033774632 003423781 0032799986 0027368154 003555915 0029711415 0030094103 003453942 0028724416 0032238931 0030550579 Lumichrome 0000290172 0000332888 0000320875 0000297494 0000263812 0000291964 000031632 0000292952 0000258302 0000332614 000037303 0000295832 0000282213 0000352492 0000268236 0000330099 0000284391 0000309779 0000175597 0000227095 0000222013 0000226672 0000213355 000019413 0000179697 0000212505 0000177422 L-Valine 0074155543 0084554349 0080433901 0081826321 0075572766 0073799012 0087597729 0077417412 0073931621 0090331554 0096331809 0082425948 008391279 0082156961 0104801359 0089495494 0082062741 0086335813 0084187846 0068276897 0067288119 0073279932 0072336094 0070210085 008038099 0079390979 0081056829 N-Acetyl-L-alanine 0004093801 0002752568 0004120377 0004566292 0003888904 0004283882 0004841774 0004524686 0004281321 0005411427 0005159095 0004381028 0004255201 0004465686 0004013395 0004927868 0004581663 0004308918 0006613844 0005932433 0006911673 0006299754 0006304294 0006919216 0006020824 0006976104 0005947756 N-Acetylleucine 88949E-05 0000137773 0000108644 830779E-05 715808E-05 721826E-05 884906E-05 819159E-05 615894E-05 852816E-05 0000105972 704989E-05 693136E-05 857007E-05 654399E-05 78944E-05 636621E-05 756234E-05 0000129149 0000125185 0000157134 0000126392 0000102744 0000116527 0000105491 0000108387 0000100988 N-Acetyl-L-phenylalanine 0000610618 0000838406 0000807761 0000580864 0000513686 000059049 0000611659 0000545114 0000468659 0000623486 0000665582 0000463838 0000484075 0000522718 0000453802 0000556095 0000486858 0000473317 0000880302 0001032006 0001061271 0001006793 0001006836 0001002165 000086007 00009882 0000938928 N-Acetylserotonin 471016E-05 809425E-05 598588E-05 645763E-05 51737E-05 539757E-05 51338E-05 569609E-05 549096E-05 N-Alpha-acetyllysine 000177108 0000973155 0001653882 0002039411 0001778507 0001867276 000228135 0001932909 0001956782 0002220842 0002335194 0001945836 0002055641 0002045969 000233738 0002231289 0002067282 0001934017 0000937188 0000588189 0000961454 0000677943 0000743489 0000980127 000083274 0000923529 0000743592 Niacinamide 0022255104 0042461305 0032775332 0017105374 0015735646 001714762 0017935231 0013795544 0012061023 0014655857 0013545204 0010339764 0011073168 0011627786 0011667626 0012448382 0011056288 0010731718 0030534355 0044296042 0034394992 0039225041 0037261952 0030595725 0033909034 0033228962 0033955531 Nicotinic acid 0000307854 0000242019 0000235392 0000448466 0000322653 0000256604 0000278184 0000349319 0000520647 0000530076 0000471707 0000563951 0000459835 0000376064 0000477725 0000435875 0000535233 N-Methyltryptamine 0000171865 0000158419 0000151703 0000173178 0000130097 0000184294 0000153985 0000161917 0000187365 0000167034 0000244787 0000181606 0000195983 0000236312 0000183452 000021859 0000189613 Norepinephrine 980585E-05 746577E-05 977416E-05 780889E-05 760834E-05 0000131789 817072E-05 999647E-05 76351E-05 Oleic acid 0000775864 0001554673 0001019108 000058055 0000624769 0000517282 0000617721 0000406642 0000428691 000047895 0000487838 0000407156 0000432214 0001094415 0000708351 0000492388 0000425954 0000417335 Ornithine 0000668707 0000377702 0000710411 0000762973 0000687383 000068042 0000669152 0000634457 0000588382 0000708616 0000803703 0000691273 0000773549 000064865 0001263821 0000787418 0000731007 00006929 0000265068 0000189891 0000270464 0000171265 0000185775 0000182556 945628E-05 0000205805 0000189771 Ortho-Hydroxyphenylacetic acid 129032E-05 706384E-06 840583E-06 87E-06 596933E-06 416033E-06 949995E-06 131128E-05 Palmitic acid 139087E-05 18527E-05 249773E-05 798721E-06 952855E-06 399522E-06 154664E-05 143882E-05 660931E-06 158584E-05 Pantothenic acid 0000783808 0000591245 000084139 0000633194 0000667475 0000880855 0000666247 0000769422 0000679487 Paraxanthine 0011001382 0013433438 0014806624 0012128857 0008970535 0011345358 0012135198 0004640054 0008480629 0012253666 0006819577 0000951915 0005513677 0005810102 0009031037 0011931511 0005346496 0011288401 Phenylacetaldehyde 0000293809 0000209449 0000275808 0000184747 0000551145 0000271223 0000222704 0000216331 Phenylethylamine 162078E-05 811956E-06 763644E-06 363325E-06 182383E-05 62618E-06 768711E-06 237368E-06 Phosphocreatine 217336E-05 230487E-05 673999E-06 57754E-06 207341E-05 140506E-05 64388E-06 254963E-06 Phosphorylcholine 142678E-05 209887E-05 221622E-05 161232E-05 350405E-05 200219E-05 202128E-05 2191E-05 Pipecolic acid 389613E-06 202954E-05 194357E-05 248512E-05 446521E-06 270027E-05 207024E-05 630108E-06 804455E-06 174908E-05 154568E-05 0018514322 210434E-05 619514E-06 449081E-06 177225E-05 763015E-06 157176E-05 Putrescine 214001E-05 14334E-05 170531E-05 152584E-05 202437E-05 110025E-05 148866E-05 12689E-05 837585E-06 148126E-05 872872E-06 79167E-06 12115E-05 110076E-05 211946E-05 103587E-05 190868E-06 51923E-06 Pyridoxamine 0000596337 0000317656 0000654957 0000688584 0000620613 000056432 0000579095 0000588122 0000488631 0000553081 000070744 0000655945 0000659528 0000573394 0001266302 0000762801 0000633673 0000593087 Pyroglutamic acid 0025211492 0011153669 0021192879 0035623285 0029609853 0031106102 0028333889 0036388489 0032993855 0034758345 0035012274 0036034053 0036651566 0030953171 00333111 0041374592 0036031313 0035796869 0019447046 0013249555 0029658188 0019536228 0016464911 0019161265 0016009734 0020946338 0018598838 Quinic acid 160979E-05 412046E-05 22717E-05 838968E-06 105435E-05 478802E-06 397396E-06 351918E-06 437506E-06 431937E-06 116171E-05 729818E-06 935762E-06 638904E-06 380792E-05 701964E-06 73506E-06 743711E-06 329604E-05 21339E-05 32211E-05 181787E-05 251011E-05 270476E-05 233891E-05 310773E-05 263261E-05 Sphinganine 293341E-05 616706E-05 403366E-05 448803E-05 391752E-05 313475E-05 35052E-05 337091E-05 349074E-05 Suberic acid 0000205322 0000293531 0000186847 0000128231 0000129695 0000131635 0000126259 0000114576 0000104554 0000102902 0000148369 000012737 000012412 0000124569 000022932 0000137825 0000141561 0000126248 Taurine 927056E-05 0000109386 83252E-05 855085E-05 96966E-05 758163E-05 782474E-05 622559E-05 616603E-05 599673E-05 959876E-05 867617E-05 0000113337 854813E-05 0000249442 926175E-05 974571E-05 971069E-05 Theobromine 162384E-05 189964E-05 255395E-05 369018E-06 105356E-05 132359E-05 134634E-05 139579E-05 851936E-06 509126E-06 158133E-05 639823E-06 141987E-05 164987E-05 504511E-05 116991E-05 513917E-06 123582E-05 377159E-05 677569E-05 275448E-05 140589E-05 163072E-05 228452E-05 262347E-05 26759E-05 387835E-05 Thymine 0001823399 0000129912 0002437692 748988E-05 0001449753 81983E-05 0001755273 635924E-05 0001361123 745798E-05 0001699251 529011E-05 0001318578 552567E-05 0001217965 609779E-05 0001298622 544363E-05 0003323742 0004387477 0003974995 0004021445 0003906481 0003648607 0003483386 0003661854 0003592045 trans-Cinnamic acid 0002166966 0003887134 0002994301 0001960595 0001749171 000166833 0001744738 0001492008 0001269807 0001543998 0001922322 0001605537 0001649726 0001591857 0003117289 0001732376 000169805 0001552744 0005561767 0003569207 0002677891 0003278574 0003343611 0002510026 0003698987 000322184 0003524924 Trigonelline 633698E-05 498214E-05 423302E-05 533876E-05 71749E-05 618339E-05 875527E-05 553449E-05 0000296712 0000259209 0000287831 0000227758 0000273861 0000315538 000025962 000017619 00002112 Tryptamine 563314E-05 393055E-05 668414E-05 637723E-05 540134E-05 595442E-05 607239E-05 537638E-05 562272E-05 780864E-05 599996E-05 552323E-05 462307E-05 563618E-05 459039E-05 688488E-05 607031E-05 594057E-05 804521E-05 898641E-05 0000118111 935101E-05 828099E-05 0000109166 871376E-05 852998E-05 863898E-05 Uracil 0002324526 0002439884 0002615771 000230525 0002020182 0002213272 0002412824 000214757 0001957944 0002489999 0002571674 0002125507 0002186965 0002192507 000210587 0002448245 0002157741 0002113621 000310419 0003359142 0003654114 0003452927 0003579564 0003143534 0003165357 0003310993 0003224507 Ureidopropionic acid 0001417987 0000930173 0001384733 194637E-05 0001375396 0001402757 0001653306 204301E-05 0001359345 000041007 325294E-05 0001522051 0001547337 0001608761 0001807161 0001720634 26055E-05 0001493412 0001052131 0000729426 0001098671 0000847626 0000888821 0001091222 0000871382 0001106799 2987E-05 Uric acid 0001579386 0001018084 0001669412 0001771958 0001521175 0001560362 0001738072 0001671122 0001508343 0001736761 0001927285 0001638326 0001552926 0001822031 0001793746 0002001073 0001785734 0001667389 0001992611 0001501622 0001882707 0001623492 0001693188 0001928258 0001808589 0001839578 0001702446 Urocanic acid 0000256078 0000458949 0000297384 0000218153 0000192173 0000307595 0000214167 0000372833 0000145539 0000185893 0000273948 0000167514 0000175267 0000191425 0000267171 0000216295 0000374792 0000288031 0000574893 0000579311 0000673258 0000664354 0000376443 0000415742 0000442207 0000347571 0000754761 Xanthine 0000614829 0000608298 0000710271 0000661718 0000574758 0000659972 0000725438 0000655014 0000576968 0000635836 0000825347 0000609641 0000656119 0000726383 0000740138 0000771854 000067629 0000623403 000100488 0000838248 0000903273 000085263 0000889332 0001009512 0000876784 0000954172 0000878438 1-Aminocyclopropanecarboxylic acid 000017689 0000141314 000014201 0000169746 0000267411 0000151116 0000159892 0000158172 2-acetomido-deoxy-glucosylamine 609583E-05 0000109561 734038E-05 59335E-05 496963E-05 372143E-05 474071E-05 330574E-05 308784E-05 382632E-05 591164E-05 351319E-05 451828E-05 390808E-05 595977E-05 453513E-05 338886E-05 359085E-05 658664E-05 579951E-05 287977E-05 792447E-05 812428E-05 7675E-05 898426E-05 829702E-05 848485E-05 2-deoxy-d-glucose 000010114 0000109386 83252E-05 862728E-05 0000103418 767442E-05 782474E-05 714028E-05 667573E-05 599673E-05 981876E-05 982919E-05 0000117621 929904E-05 0000259937 0000100391 0000107122 0000102064 3-Methylhistidine 000040579 0003377577 0000505451 0000441944 0000415648 0000349965 0000331949 0000291905 0000247551 0000285689 0000409619 0000350433 0000366845 0000368362 0003358321 0000411792 0000386542 0000348164 5-Hydroxylysine 76725E-06 178872E-05 18692E-05 123806E-05 154791E-05 197201E-05 191742E-05 248029E-05 Cortisol 21-acetate 695937E-05 0000110644 801145E-05 973469E-05 756799E-05 663874E-05 715009E-05 558899E-05 635214E-05 D-Lactose 163202E-05 872828E-06 70977E-06 797198E-06 144978E-05 11934E-05 870907E-06 613784E-06 Indole-3-methyl acetate 395512E-05 843806E-05 703112E-05 453094E-05 672586E-05 715463E-06 433761E-05 538092E-05 462887E-05 glyceraldehyde 3-phosphate diethyl acetal 0020809419 0029906072 0039160843 0061040738 0052563853 0052269842 0008303809 0027940401 0026294815 004900827 0021210858 0039494054 0045411336 0016857671 0117292652 0061078249 0039935847 0034178882 0110657244 0144077048 0074216116 0113267988 0126303718 0117570976 0150131343 011117282 0153148521 L-Norleucine 0238732542 0190073808 0121545354 0136786925 0240727225 0266418326 0148127398 0269695707 0247923274 0142273348 0151474555 0260274043 0260447722 0278137087 0129972076 0151107435 026791157 0261327602 N-acetyl-aspartic acid 0000158294 484301E-05 0000129536 0000214933 000019232 0000198971 636805E-05 000022129 0000207927 726853E-05 0000277228 000023925 0000247197 0000253606 000032481 0000279851 0000251579 451678E-05 N-acetyltryptophan 0000165955 0000118159 0000120269 0000149589 126776E-05 0000140537 0000117769 0000127794 0000205936 0000270282 0000186742 0000184161 0000176543 0000249046 0000195947 0000203696 0000150397 N-Acetylglutamic acid 387093E-05 931058E-06 184697E-05 515064E-05 335792E-05 413832E-05 498796E-05 366076E-05 390568E-05 36687E-05 513058E-05 610293E-05 435063E-05 635601E-05 618989E-05 568207E-05 446923E-05 35424E-05 N-acetyl-serine 0000244031 0000188233 82907E-05 0000154357 0000137992 379786E-05 374034E-05 0000150621 000011081 98736E-05 530279E-05 0000113845 000012379 0000104063 0000120979 752519E-05 774269E-05 608062E-05 Acetylglycine 0002764527 0002055205 0002815353 0002772501 0002418889 0001984167 0000498158 0002174457 0001768551 0000648202 0002728719 0002219597 0002319255 0000304424 0003029064 0002308364 0002153712 0002057892 0002518282 0002014401 0002747569 0002340942 0002281517 0002437964 00022917 0002793078 0002499926 N,N,N-Trimethyllysine 0000609238 0001049066 0001159779 0000431364 0000462796 000026124 0000265026 0000294604 0000202408 0000254505 0000327656 0000295627 0000360348 0000279634 000221563 0000326386 0000394045 0000287592 0001136297 000074975 0000937376 0000808181 0000881196 0000834816 000108346 0001035531 000097056 12-Hydroxydodecanoic acid 0000171406 0000283673 0000210498 0000135011 0000142006 0000122544 0000116786 0000107513 906959E-05 0000105705 0000145146 0000104644 0000126666 000010525 0000227781 0000134761 0000118962 0000108967 tetrahydroxy-pregnan-20-one 29334E-05 72344E-05 288807E-05 365263E-05 157161E-05 253822E-05 382286E-05 18099E-05 222519E-05 235707E-05 254559E-05 493256E-06 763263E-06 61757E-06 166923E-05 569313E-06 277804E-05 540589E-06 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name HMDB PubChem KEGG 1-Methyladenosine HMDB0003331 27476 C02494 2,3-Dihydroxypropyl tetradecanoate 79050 CA1370 2',4'-Dihydroxyacetophenone HMDB0029659 6990 C03663 2-Aminophenol METPA0236 C01987 3-(2-Hydroxyphenyl)propanoic acid HMDB0033752 873 C01198 3-Amino-5-hydroxybenzoic acid C12107 3-Hydroxycapric acid HMDB0002203 26612 C02774 3-Methyldioxyindole HMDB0004186 151066 C05834 4-Guanidinobutanoic acid HMDB0003464 500 C01035 4-Hydroxy-L-proline HMDB0006055 69248 C01015 4-Hydroxyphenylpyruvic acid HMDB0000707 979 C01179 4-Trimethylammoniobutanoic acid HMDB0001161 134 C05543 5-Aminolevulinic acid HMDB0001149 137 C00430 5-Aminopentanoic acid HMDB0003355 138 C00431 5-Hydroxyindoleacetic acid HMDB0000763 1826 C05635 5'-Methylthioadenosine HMDB0001173 439176 C00170 Adenine HMDB0000034 190 C00147 Adenosine HMDB0000050 60961 C00212 Adipic acid HMDB0000448 196 C06104 Allantoin HMDB0000462 204 C01551 All-trans-retinoic acid HMDB0001852 444795 C00777 Aminoadipic acid HMDB0000510 469 C00956 Anserine HMDB0000194 112072 C01262 Beta-Alanine HMDB0000056 239 C00099 Betaine HMDB0000043 247 C00719 Biotin HMDB0000030 171548 C00120 Carnosine HMDB0000033 439224 C00386 Cholic acid HMDB0000619 221493 C00695 Choline HMDB0000097 305 C00114 Citrulline HMDB0000904 9750 C00327 Corticosterone HMDB0001547 5753 C02140 Cortisol HMDB0000063 657311 C00735 Cortisone HMDB0002802 225609 C00762 Creatine HMDB0000064 586 C00300 Creatinine HMDB0000562 588 C00791 Cytosine HMDB0000630 597 C00380 Deoxyguanosine HMDB0000085 187790 C00330 D-Galactosamine METPA0263 739 C02262 Diaminopimelic acid HMDB0001370 99290 C00666 Diethanolamine HMDB0004437 8113 C06772 D-Lyxose NA 3759 C00476 Dopamine HMDB0000073 681 C03758 Epinephrine HMDB0000068 5816 C00788 Gamma-Aminobutyric acid HMDB0000112 119 C00334 Glycerophosphocholine HMDB0000086 71920 C00670 Glyceryl monoacetate 5283468 Glycine HMDB0000123 750 C00037 Glycocholic acid HMDB0000138 23617285 C01921 Guanidoacetic acid HMDB0000128 763 C00581 Guanine HMDB0000132 764 C00242 Guanosine HMDB0000133 6802 C00387 Guanosine monophosphate HMDB0001397 6804 C00144 Hippuric acid HMDB0000714 464 C01586 Homogentisic acid HMDB0000130 780 C00544 Hypoxanthine HMDB0000157 790 C00262 Indoleacetic acid HMDB0000197 802 C00954 Inosine HMDB0000195 6021 C00294 L-Arginine HMDB0000517 6322 C00062 L-Asparagine HMDB0000168 6267 C00152 L-Aspartic acid HMDB0000191 5960 C00049 L-Carnitine HMDB0000062 2724480 C00318 Leukotriene B4 HMDB0001085 5280492 C02165 L-Glutamic acid HMDB0000148 33032 C00025 L-Glutamine HMDB0000641 5961 C00064 L-Histidine HMDB0000177 6274 C00135 L-Kynurenine HMDB0000684 161166 C00328 L-Lysine HMDB0000182 5962 C00047 L-Methionine HMDB0000696 6137 C00073 L-Norvaline 7019097 C01826 L-Phenylalanine HMDB0000159 6140 C00079 L-Proline HMDB0000162 145742 C00148 L-Serine HMDB0000187 5951 C00065 L-Threonine HMDB0000167 6288 C00188 L-Tryptophan HMDB0000929 6305 C00078 L-Tyrosine HMDB0000158 6057 C00082 Lumichrome METPA0216 5326566 C01727 L-Valine HMDB0000883 6287 C00183 N-Acetyl-L-alanine HMDB0000766 88064 C04341 N-Acetylleucine HMDB0011756 70912 C02710 N-Acetyl-L-phenylalanine HMDB0000512 74839 C03519 N-Acetylserotonin HMDB0001238 903 C00978 N-Alpha-acetyllysine HMDB0000446 192590 C12989 Niacinamide HMDB0001406 936 C00153 Nicotinic acid HMDB0001488 938 C00253 N-Methyltryptamine HMDB0004370 6088 C06213 Norepinephrine HMDB0000216 439260 C00547 Oleic acid HMDB0000207 445639 C00712 Ornithine HMDB0000214 6262 C00077 Ortho-Hydroxyphenylacetic acid HMDB0000669 11970 C05852 Palmitic acid HMDB0000220 985 C00249 Pantothenic acid HMDB0000210 988 C00864 Paraxanthine HMDB0001860 4687 C13747 Phenylacetaldehyde HMDB0006236 998 C00601 Phenylethylamine HMDB0012275 1001 C05332 Phosphocreatine HMDB0001511 587 C02305 Phosphorylcholine HMDB0001565 1014 C00588 Pipecolic acid HMDB0000070 849 C00408 Putrescine HMDB0001414 1045 C00134 Pyridoxamine HMDB0001431 1052 C00534 Pyroglutamic acid HMDB0000267 7405 C01879 Quinic acid HMDB0003072 6508 C00296 Sphinganine HMDB0000269 91486 C00836 Suberic acid HMDB0000893 10457 C08278 Taurine HMDB0000251 1123 C00245 Theobromine HMDB0002825 5429 C07480 Thymine HMDB0000262 1135 C00178 trans-Cinnamic acid HMDB0000930 444539 C00423 Trigonelline HMDB0000875 5570 C01004 Tryptamine HMDB0000303 1150 C00398 Uracil HMDB0000300 1174 C00106 Ureidopropionic acid HMDB0000026 111 C02642 Uric acid HMDB0000289 1175 C00366 Urocanic acid HMDB0000301 736715 C00785 Xanthine HMDB0000292 1188 C00385 1-Aminocyclopropanecarboxylic acid HMDB0036458 535 C01234 2-acetomido-deoxy-glucosylamine CA1416 2-deoxy-d-glucose 3-Methylhistidine HMDB0000479 64969 C01152 5-Hydroxylysine HMDB0000450 4433 C01211 Cortisol 21-acetate NA 5744 C02821 D-Lactose NA NA Indole-3-methyl acetate HMDB0029738 74706 CA1213 glyceraldehyde 3-phosphate diethyl acetal NA NA CA1402 L-Norleucine NA NA N-acetyl-aspartic acid NA NA N-acetyltryptophan HMDB0013713 700653 C03137 N-Acetylglutamic acid HMDB0001138 185 C00624 N-acetyl-serine NA NA Acetylglycine HMDB0000532 10972 CA1212 N,N,N-Trimethyllysine NA NA C03793 12-Hydroxydodecanoic acid HMDB0002059 79034 C08317 tetrahydroxy-pregnan-20-one NA NA METABOLITES_END #END