#METABOLOMICS WORKBENCH cmartias_20210927_033349_mwtab.txt DATATRACK_ID:2870 STUDY_ID:ST001967 ANALYSIS_ID:AN003205 PROJECT_ID:PR001253 VERSION 1 CREATED_ON September 27, 2021, 3:49 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:DEPARTMENT INSERM PR:LAST_NAME Martias PR:FIRST_NAME Cecile PR:ADDRESS 10 Boulevard tonnelé 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:DEPARTMENT INSERM ST:LAST_NAME Martias ST:FIRST_NAME Cecile ST:ADDRESS 10 Boulevard tonnelé 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 Development method for the best sample preparation for goat feces CO:SAMPLE_TYPE Blood (plasma) #TREATMENT TR:TREATMENT_SUMMARY 5 sample preparation were tested : P1 : Blood:MEOH:CHCL3 1:1:1 , P2: TR:TREATMENT_SUMMARY Blood:MeOH:CHCl3 1:2.5:2.5, P4: Blood:MeOH 1:8 #SAMPLEPREP SP:SAMPLEPREP_SUMMARY - #ANALYSIS AN:ANALYSIS_TYPE NMR #NMR NM:INSTRUMENT_NAME Avance III HD 600 MHz NM:INSTRUMENT_TYPE FT-NMR NM:NMR_EXPERIMENT_TYPE 1D-1H NM:SPECTROMETER_FREQUENCY 600MHz #NMR_METABOLITE_DATA NMR_METABOLITE_DATA:UNITS SI NMR_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 3-Methylhistidine 3057629035 2449236073 3064510243 3456865526 3527987431 2922658246 2248536158 2812269918 2845463043 2236700457 1708321848 1894032267 217787574 193653584 2156219424 2445889811 2217453137 2377439955 2601777135 2783081761 3027217132 3014888298 2679599712 2853748643 2949858218 350150801 3043096079 3666054275 Allantoin 106127709 1161464267 1172303878 1200609724 1278618599 1052088886 965538621 9997955446 1039166043 7166266193 7102140318 8346755475 7951684883 7312789298 6883718216 7614537696 7237287218 7639184284 9409656102 1158105884 111293452 1150694295 1135347162 1159080277 1102889933 1062934145 1046683948 1030741407 Alpha-D-Glucose 2463602399 2536744139 2615822457 2861595052 3017830864 2563758827 2308623296 2530353049 2562754054 1886937977 1655925555 2091078845 2053829457 19442496 1916843852 216621596 2072831312 2193284623 2790779531 2863092544 2885388577 2919141791 2857284831 2835344048 2861637473 2789218555 2787566502 276199835 Beta-Alanine 1647378203 1667673162 1782954355 1950362131 2355877872 1776069267 1579171726 1729406666 167066216 1500186632 1273137221 1414221851 1362547594 1371721728 1279971319 1422405623 1372719851 146478768 Carnosine 3053185457 2559585713 2690899561 3279666649 2820521195 2780903031 2156735574 2665851945 2489100624 2152722642 1583157772 2171209114 1736619762 2012259587 1909035184 2140028737 2011947394 2174408936 1431354735 2740834109 2985684278 1424104999 2888905133 3207408166 2610594458 2619825596 2809752708 3020646821 Choline 0430325725 042267992 0387363697 044297734 0514499524 0460424326 036604122 0419061365 0410131286 0336162086 0283919954 0298061051 032201418 0308084581 0402143101 0357525297 0536915627 0335728956 0543559213 042570136 0435668785 0471594843 0429672061 029887494 0404848249 0406749156 044212746 0543178671 Citric acid 1559006055 1594812291 1641946833 1769531319 1965005917 1600833463 1447573043 1553638948 169290151 1094958403 9108466068 1186223935 1172790977 1137799685 1082492295 1248801951 1263366321 1282813964 1426252221 139509359 1433368944 1351340557 1421505656 1419223463 1432067137 1340513052 1340772667 1516281564 Creatine 1919087514 1938737783 2032557655 2132285164 2233879324 1963546423 1760516354 1921469634 1980469774 1455254324 1248128778 1609166437 1511983906 1473432262 137813344 1575851418 1577902225 1659135843 2059001128 203573639 213687257 2112487051 2070385266 2085653374 2115974847 2037836158 2058833929 2007778199 Creatinine 2161665657 2494118569 2406546436 2254033049 2295461004 2244171467 2086884079 207150405 2103559386 145074743 1298835094 1520481866 1198077599 1213989709 1060321819 1131334226 1490472811 1296641623 129458699 1269575703 1681424702 1633051669 1315292981 1252892232 1428887469 1282423475 1439630575 1531383856 Deoxyadenosine 1162828306 1057592494 1097754869 1296089749 1141230468 1081594888 0745723112 1064605901 1045752551 0889687773 0723402415 0861613738 0673666222 0745350305 088280636 0873702144 0770296545 1014337684 0945138568 0941850956 1083024306 123275826 1470010834 1347020542 1298237114 0976223641 1053196206 1210450075 D-Mannose 1775182376 1956217078 1766339899 1394059586 2168240505 2204160311 1602245536 1716177437 1672456549 1019852783 1063912344 1077868751 1092550567 1102438868 1506865426 1473939933 1752904499 1337120763 1273908409 1602256671 1432635898 2623463792 1554248616 175325631 1396877537 1933104511 1145603277 1947755769 Glycine 6615946407 6810587579 7067070096 7636162495 7993508758 689045959 6168590322 670150292 6875312384 5070224976 4399238082 5617126572 5437756314 5234766944 5045530184 5659368559 5601306345 5883165146 7380832963 7512641458 7674741883 7587937339 7623842243 7522086976 7613718443 7340969437 7397495875 7310892516 Hippuric acid 1319807333 1338558583 1372922305 1498219262 155120774 1338125678 1180327877 1300740463 133107609 9931466551 8408177791 1104137667 1058607769 1006944188 9968672055 112128956 1089600346 1142262179 1391447033 1546895528 1531998862 1496909682 1529940017 151394767 1561909438 1502164573 1416513772 1434097983 L-Histidine 4061585656 3876770976 4197430486 489881298 5418292928 4174451382 4136893109 4157356844 4181787596 3050198787 2583468934 329802692 3031151067 295616801 3030839935 3499933768 3510680388 3358289417 4239886648 4979421121 4377911004 4983765496 4528633358 4622293811 5156848758 4656142673 5611402284 5285502551 L-Isoleucine 9987254022 9971028893 1141346095 1204437298 1398618127 1105771279 9893345256 1103251013 1014778915 8744343841 8807840974 843865459 8220958737 8494484547 7986063723 8660593829 8591693521 8996809065 1272926313 125932277 1231277969 1192998791 1297574866 1157340542 1114719294 123904591 1196971641 1249794323 L-Lactic acid 9429605771 9948818584 1008339704 1081356319 113104282 101133987 9082732799 983168684 1001589524 7308178202 6451083453 7828897761 7600494291 720162556 7260486166 8095329128 8350588176 8191114333 1013778848 1023325714 1069258792 1069642912 1019294162 1000652925 1041285363 9985287888 1031148581 1037194875 L-Leucine 8021128692 8154435499 8786413203 9573503728 104914277 8684675018 7734101997 8617395639 8344922733 6517145074 5989055951 671882109 6430530567 6451707668 62925895 6814978858 677519246 6994552388 9955020743 9855190811 9626647662 9622367357 9922050764 9339887257 9447064427 9378555796 9444859375 9902109117 L-Lysine 9393298778 8763100646 9153278224 1020596508 1092237232 1013695543 8408040036 9045214635 9220542038 7345571721 5672052024 6144370633 7001490897 6797944334 7341552872 7005616965 1035630529 7520793508 1139191862 8225836483 9657131238 849472879 9221287067 8209931737 9430305137 7394721508 1010225606 1198410925 L-Methionine 4463210045 321540997 3797556504 3902219405 4272873937 3348851046 4110105239 2352977542 4702343084 3021688888 2026682489 2885061761 3349550789 3509744944 329559623 2586350499 4847350617 3183867015 L-Threonine 131814337 1319741132 1378455185 1279989921 1343192693 1356773143 1171155156 1202554122 1282577181 9820676334 7609879955 1050589285 907589348 9981050489 8099644987 9229680958 1110957364 1055961843 1123978568 9014536485 1151229753 1009376055 1078577115 1073708299 1041851202 1061635042 1117622675 1129281418 L-Tryptophan 2931404889 3130778643 2724613317 3668918871 302524087 2809280817 2394944582 2120033906 2634004109 1931949121 1964652252 2472933297 2005323316 2189731218 1867182403 2590463217 2733111256 2699858046 2077070386 3658691678 400716164 3666188332 3267604686 31313336 3214851145 3752670088 3389684976 3141242792 L-Tyrosine 4076162221 4077540216 4108809831 4464140647 4922819286 4380486563 3742643267 3907090295 3977234829 2904522197 2450631114 3142598809 3155774462 3052684059 300364658 3521794968 3354381138 3332849374 3881521608 4811229489 4609693459 4579888934 4677566154 4598914445 4875107271 4325016736 4570410363 4353780702 L-Valine 138690791 1406740975 151388439 16307852 1815854233 1487940504 1323342381 1486724301 140300015 1141071423 1059573864 1162674894 1124197508 1122711764 1100175772 120526709 1172960294 1232263784 1693299438 1692006889 1680192563 1660135811 1692492954 1622025367 1582745992 1661670651 1612693095 1668780368 Phosphorylcholine 0726690915 0817310631 0730018554 0818637844 0941922237 0811703265 0697809147 0745035219 0719681401 0566508899 0491111583 0522898442 0575714949 0521300426 0641914181 0588910585 0797106216 0595605181 1081290528 10442072 1042464918 1106911328 0964584673 0800782568 0932454889 0880889511 0959529785 1172958698 Propionic acid 4723396148 4405517106 5432273844 5601794315 7427693948 5416830634 4870594658 5217959202 4484190714 4408146782 4949448622 416290055 402343457 4154930554 3859805736 4235254673 4234591493 4168319829 7025089006 7190398189 6846582841 6595181446 7106278986 6481803744 5940072215 6995291478 639314512 7307278183 Sarcosine 1921571743 1943674207 201734325 2171812811 2249245075 1957139558 1766188396 1808031818 2057852219 2101308645 2046730479 2213765204 1804677445 2054735741 1903916903 1846733404 1976935132 1814681742 2199449181 2-Hydroxybutyric acid 3058444663 3144421125 3714493112 3777105838 4516739705 3487844658 3253142828 3520318052 3161443287 2993919666 5456926569 2898237558 2604920667 3485342042 2916146844 2667315043 3090772786 2618965544 6102951685 5927864297 5982447842 5120631756 6038256758 5602395163 4777634815 5381805968 5459037997 6037321379 Ketoleucine 1972844405 1942618129 224653838 23839064 2859521131 216563266 1909233353 2210915216 1980166731 1760071817 1975144529 1662850299 1610395828 1727105999 1724455064 1616274676 1746972507 1665464756 2539325424 2631301016 2632840424 2451531271 2619674103 2471376631 2353153888 2480676821 2323534847 2759687281 3-Hydroxybutyric acid 8202856934 8541327122 8704403097 9531959725 1075452742 8524267102 7581302312 8275153588 8596621218 6783726656 5529286357 6847186392 6809673976 6497150195 6275022127 6885611936 66542248 7216621887 9362785686 9313176853 9529075731 958506009 9262091798 9302704464 9392711063 894433141 9239519374 9290533411 (S)-3-Hydroxyisobutyric acid 3781599233 3608134366 4243552507 4523444111 548879773 4294447528 365075775 4216122526 3740973738 3469416105 3511141754 3143096266 2926104566 3340195683 311843034 335759983 3304957765 3341079646 4941157339 5068339997 5049989509 4761399506 5124073823 451330638 4112896502 4749151879 4824449299 4869290914 Acetic acid 1173444082 1211050071 1258434899 1370936611 1447617914 1227919295 1099359128 1192606537 1221241 9158368106 798275807 1003099174 9686125304 9253877238 9037614439 1015754351 9928003369 1045658965 1345181043 1363452194 136652468 1368323662 1355065406 1335166509 1372550267 1321286022 1324303622 1315352447 Acetone 1444376685 1836751848 1825177591 2039777287 2320416323 1849535585 1288886912 1525988007 1520639137 2105548788 206555169 2000984936 1987626088 2115602216 1945044483 1942144185 2019240015 1947614611 2004519293 Butyric acid 6552911126 6559950027 7739692904 808201894 9526781871 7473663387 6631817141 736912004 6773521164 1204109976 1207479264 119637436 1130757326 1215792892 1154315671 1014035867 1111336549 1146526516 1188217333 Dimethylamine 2730686918 2672866305 2796182306 3063912203 3253823655 2819135323 2498245571 2659814438 2798471723 2140840165 1728673626 2201027895 2149308423 2185314421 2023893833 2268914585 2391170494 2299351842 2952021014 2825456413 2871667731 2649729553 2985541979 2774305846 2863849766 2722764986 2659066311 2836094229 Dimethylglycine 1792777301 1763306077 1821812304 2022379566 2108591598 1834632595 1589861394 1704658193 1770937604 1320115005 1132421291 1346926978 1340917352 1356689616 1262019312 1385296328 1574106627 1445579595 1950683855 1830695149 1893597635 1916375601 1940698384 1789094276 1828503022 1785287592 1851718468 2018599951 Formic acid 2937485321 3224401947 3122692982 3294299344 3441014236 3093918979 2512030038 2806405634 282404694 317661556 3435171376 4227760317 3741112285 2977926189 2797647167 3224978182 3253135201 3363475355 3251346879 Lactose 953249142 9953250241 8470847859 1026955854 102146368 9436146788 8321129033 9557460135 9769591588 7482447877 6706595003 804325573 7881362043 6036749022 6816414842 8183437956 7668069872 8096578832 3320251664 5280602832 8172635537 8752680477 6001694348 5917712248 6212463522 5614812765 6026776643 7905536053 Acetylcholine 2360533715 2473023887 2338986641 2612987938 2965802638 2607000807 2327424543 2486326237 2491126976 1979573959 199415997 1975510064 194564433 2111492964 222863287 2215270075 2484885916 2122821335 5892370988 5489515792 6085265072 5599506552 5534801269 5741768304 5436141465 5167370162 5644915993 5577415387 Pyruvic acid 2053341631 2425575095 2271670668 2417796623 3057157731 2002602228 1798138386 1895820963 2085783544 1814254946 1251212299 1534841907 1578425717 1439848907 1279116092 1316492467 1223957563 1435690434 197713371 2027312849 238461748 2389319626 213962911 2207847585 2221908013 1896678927 2025927306 2335839422 3-Methyl-2-oxovaleric acid 160306437 1839151411 1021547397 0842574002 1065503356 1140512436 0960526735 11566866 1079680106 204214656 1848959596 172973609 1920477656 1977854502 1443155002 0873008893 1633604676 1776316887 2137362612 NMR_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name HMDB PubChem KEGG 3-Methylhistidine HMDB0000479 64969 C01152 Allantoin HMDB0000462 204 C01551 Alpha-D-Glucose HMDB0003345 79025 C00267 Beta-Alanine HMDB0000056 239 C00099 Carnosine HMDB0000033 439224 C00386 Choline HMDB0000097 305 C00114 Citric acid HMDB0000094 311 C00158 Creatine HMDB0000064 586 C00300 Creatinine HMDB0000562 588 C00791 Deoxyadenosine HMDB0000101 13730 C00559 D-Mannose HMDB0000169 18950 C00159 Glycine HMDB0000123 750 C00037 Hippuric acid HMDB0000714 464 C01586 L-Histidine HMDB0000177 6274 C00135 L-Isoleucine HMDB0000172 6306 C00407 L-Lactic acid HMDB0000190 61503 C00256 L-Leucine HMDB0000687 6106 C00123 L-Lysine HMDB0000182 5962 C00047 L-Methionine HMDB0000696 6137 C00073 L-Threonine HMDB0000167 6288 C00188 L-Tryptophan HMDB0000929 6305 C00078 L-Tyrosine HMDB0000158 6057 C00082 L-Valine HMDB0000883 6287 C00183 Phosphorylcholine HMDB0001565 1014 C00588 Propionic acid HMDB0000237 1032 C00163 Sarcosine HMDB0000271 1088 C00213 2-Hydroxybutyric acid HMDB0000008 11266 C05984 Ketoleucine HMDB0000695 70 C00233 3-Hydroxybutyric acid HMDB0000357 441 C01089 (S)-3-Hydroxyisobutyric acid HMDB0000023 87 C06001 Acetic acid HMDB0000042 176 C00033 Acetone HMDB0001659 180 C00207 Butyric acid HMDB0000039 264 C00246 Dimethylamine HMDB0000087 674 C00543 Dimethylglycine HMDB0000092 673 C01026 Formic acid HMDB0000142 284 C00058 Lactose HMDB0041627 6134 C01970 Acetylcholine HMDB0000895 6060 C01996 Pyruvic acid HMDB0000243 1060 C00022 3-Methyl-2-oxovaleric acid HMDB0000491 47 C00671 METABOLITES_END #END