#METABOLOMICS WORKBENCH gpersinoti_20210918_141311 DATATRACK_ID:2849 STUDY_ID:ST001945 ANALYSIS_ID:AN003167 PROJECT_ID:PR001232 VERSION 1 CREATED_ON September 20, 2021, 11:38 am #PROJECT PR:PROJECT_TITLE Gut microbiome of the largest living rodent harbors unprecedented enzymatic PR:PROJECT_TITLE systems to break down complex plant polysaccharides PR:PROJECT_SUMMARY The largest living rodent dwelling Pantanal wetlands and Amazon basin, capybara, PR:PROJECT_SUMMARY can efficiently depolymerize and utilize lignocellulosic biomass through PR:PROJECT_SUMMARY microbial symbiotic mechanisms yet elusive. Herein, combining multi-meta-omics PR:PROJECT_SUMMARY approaches, carbohydrate enzymology and X-ray crystallography, we elucidated the PR:PROJECT_SUMMARY microbial community composition and structure, enzymatic systems and metabolic PR:PROJECT_SUMMARY pathways involved in the conversion of recalcitrant dietary fibers into PR:PROJECT_SUMMARY short-chain fatty acids, a main energy source for the host. The high efficiency PR:PROJECT_SUMMARY of this microbiota in the deconstruction of plant polysaccharides is underpinned PR:PROJECT_SUMMARY on the combination of unique enzymatic mechanisms from Fibrobacteres to degrade PR:PROJECT_SUMMARY cellulose with a broad arsenal of Carbohydrate-Active enZymes (CAZymes) PR:PROJECT_SUMMARY organized in polysaccharide utilization loci (PULs) from Bacteroidetes, to PR:PROJECT_SUMMARY tackle with complex hemicelluloses typically found in gramineous and aquatic PR:PROJECT_SUMMARY plants. Exploring the genomic dark matter of this community, two novel CAZy PR:PROJECT_SUMMARY families were unveiled including a glycoside hydrolase family of PR:PROJECT_SUMMARY β-galactosidases and a carbohydrate-binding module family involved in xylan PR:PROJECT_SUMMARY binding that establishes an unprecedented three-dimensional fold among PR:PROJECT_SUMMARY associated modules to CAZymes. Together, these results demonstrate at community PR:PROJECT_SUMMARY and molecular levels how the capybara gut microbiota orchestrates the PR:PROJECT_SUMMARY deconstruction and utilization of dietary fibers, representing an untapped PR:PROJECT_SUMMARY reservoir of new and intricate enzymatic mechanisms to overcome the PR:PROJECT_SUMMARY lignocellulose recalcitrance, a central challenge toward a bio-based and PR:PROJECT_SUMMARY sustainable economy. PR:INSTITUTE Brazilian Center for Research in Energy and Materials (CNPEM) PR:LAST_NAME Persinoti PR:FIRST_NAME Gabriela PR:ADDRESS Rua Giuseppe Máximo Scolfaro, 10.000, Polo II de Alta Tecnologia de Campinas, PR:ADDRESS Campinas, Sao Paulo, 13083-100, Brazil PR:EMAIL gabriela.persinoti@lnbr.cnpem.br PR:PHONE +55 19 35175165 #STUDY ST:STUDY_TITLE Capybara gut microbiome ST:STUDY_SUMMARY The largest living rodent dwelling Pantanal wetlands and Amazon basin, capybara, ST:STUDY_SUMMARY can efficiently depolymerize and utilize lignocellulosic biomass through ST:STUDY_SUMMARY microbial symbiotic mechanisms yet elusive. Herein, combining multi-meta-omics ST:STUDY_SUMMARY approaches, carbohydrate enzymology and X-ray crystallography, we elucidated the ST:STUDY_SUMMARY microbial community composition and structure, enzymatic systems and metabolic ST:STUDY_SUMMARY pathways involved in the conversion of recalcitrant dietary fibers into ST:STUDY_SUMMARY short-chain fatty acids, a main energy source for the host. The high efficiency ST:STUDY_SUMMARY of this microbiota in the deconstruction of plant polysaccharides is underpinned ST:STUDY_SUMMARY on the combination of unique enzymatic mechanisms from Fibrobacteres to degrade ST:STUDY_SUMMARY cellulose with a broad arsenal of Carbohydrate-Active enZymes (CAZymes) ST:STUDY_SUMMARY organized in polysaccharide utilization loci (PULs) from Bacteroidetes, to ST:STUDY_SUMMARY tackle with complex hemicelluloses typically found in gramineous and aquatic ST:STUDY_SUMMARY plants. Exploring the genomic dark matter of this community, two novel CAZy ST:STUDY_SUMMARY families were unveiled including a glycoside hydrolase family of ST:STUDY_SUMMARY β-galactosidases and a carbohydrate-binding module family involved in xylan ST:STUDY_SUMMARY binding that establishes an unprecedented three-dimensional fold among ST:STUDY_SUMMARY associated modules to CAZymes. Together, these results demonstrate at community ST:STUDY_SUMMARY and molecular levels how the capybara gut microbiota orchestrates the ST:STUDY_SUMMARY deconstruction and utilization of dietary fibers, representing an untapped ST:STUDY_SUMMARY reservoir of new and intricate enzymatic mechanisms to overcome the ST:STUDY_SUMMARY lignocellulose recalcitrance, a central challenge toward a bio-based and ST:STUDY_SUMMARY sustainable economy. ST:INSTITUTE Brazilian Center for Research in Energy and Materials (CNPEM) ST:LAST_NAME Persinoti ST:FIRST_NAME Gabriela ST:ADDRESS Rua Giuseppe Máximo Scolfaro, 10.000, Polo II de Alta Tecnologia de Campinas, ST:ADDRESS Campinas, Sao Paulo, 13083-100, Brazil ST:EMAIL gabriela.persinoti@lnbr.cnpem.br ST:PHONE +55 19 35175165 ST:NUM_GROUPS 2 ST:TOTAL_SUBJECTS 6 ST:NUM_FEMALES 6 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Hydrochoerus hydrochaeris SU:GENDER Female #FACTORS #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 - 1_1H_12Abril2018 group:Cecal 2.1 RAW_FILE_NAME=1_1H_12Abril2018.fid; processed_filename=1_1H_12Abril2018.cnx SUBJECT_SAMPLE_FACTORS - 2_1H_12Abril2018 group:Cecal 2.1 RAW_FILE_NAME=2_1H_12Abril2018.fid; processed_filename=2_1H_12Abril2018.cnx SUBJECT_SAMPLE_FACTORS - 3_1H_12Abril2018 group:Cecal 2.1 RAW_FILE_NAME=3_1H_12Abril2018.fid; processed_filename=3_1H_12Abril2018.cnx SUBJECT_SAMPLE_FACTORS - R1_1H_20Abril2018 group:Cecal 2.1 RAW_FILE_NAME=R1_1H_20Abril2018.fid; processed_filename=R1_1H_20Abril2018.cnx SUBJECT_SAMPLE_FACTORS - R2_1H_20Abril2018 group:Cecal 2.1 RAW_FILE_NAME=R2_1H_20Abril2018.fid; processed_filename=R2_1H_20Abril2018.cnx SUBJECT_SAMPLE_FACTORS - R3_1H_20Abril2018 group:Cecal 2.1 RAW_FILE_NAME=R3_1H_20Abril2018.fid; processed_filename=R3_1H_20Abril2018.cnx SUBJECT_SAMPLE_FACTORS - 4_1H_12Abril2018 group:Cecal 3.1 RAW_FILE_NAME=4_1H_12Abril2018.fid; processed_filename=4_1H_12Abril2018.cnx SUBJECT_SAMPLE_FACTORS - 5_1H_12Abril2018 group:Cecal 3.1 RAW_FILE_NAME=5_1H_12Abril2018.fid; processed_filename=5_1H_12Abril2018.cnx SUBJECT_SAMPLE_FACTORS - 6_1H_13Abril2018 group:Cecal 3.1 RAW_FILE_NAME=6_1H_13Abril2018.fid; processed_filename=6_1H_13Abril2018.cnx SUBJECT_SAMPLE_FACTORS - R4_1H_20Abril2018 group:Cecal 3.1 RAW_FILE_NAME=R4_1H_20Abril2018.fid; processed_filename=R4_1H_20Abril2018.cnx SUBJECT_SAMPLE_FACTORS - R6_1H_19Abril2018 group:Cecal 3.1 RAW_FILE_NAME=R6_1H_19Abril2018.fid; processed_filename=R6_1H_19Abril2018.cnx SUBJECT_SAMPLE_FACTORS - R6.1_1H_19Abril2018 group:Cecal 3.1 RAW_FILE_NAME=R6.1_1H_19Abril2018.fid; processed_filename=R6.1_1H_19Abril2018.cnx SUBJECT_SAMPLE_FACTORS - 7_1H_13Abril2018 group:Cecal 4.1 RAW_FILE_NAME=7_1H_13Abril2018.fid; processed_filename=7_1H_13Abril2018.cnx SUBJECT_SAMPLE_FACTORS - 9_1H_13Abril2018 group:Cecal 4.1 RAW_FILE_NAME=9_1H_13Abril2018.fid; processed_filename=9_1H_13Abril2018.cnx SUBJECT_SAMPLE_FACTORS - R7_1H_19Abril2018 group:Cecal 4.1 RAW_FILE_NAME=R7_1H_19Abril2018.fid; processed_filename=R7_1H_19Abril2018.cnx SUBJECT_SAMPLE_FACTORS - R8_1H_20Abril2018 group:Cecal 4.1 RAW_FILE_NAME=R8_1H_20Abril2018.fid; processed_filename=R8_1H_20Abril2018.cnx SUBJECT_SAMPLE_FACTORS - R9_1H_20Abril2018 group:Cecal 4.1 RAW_FILE_NAME=R9_1H_20Abril2018.fid; processed_filename=R9_1H_20Abril2018.cnx SUBJECT_SAMPLE_FACTORS - R9.1_1H_20Abril2018 group:Cecal 4.1 RAW_FILE_NAME=R9.1_1H_20Abril2018.fid; processed_filename=R9.1_1H_20Abril2018.cnx SUBJECT_SAMPLE_FACTORS - 10_1H_09Abril2018 group:Rectal 2.1 RAW_FILE_NAME=10_1H_09Abril2018.fid; processed_filename=10_1H_09Abril2018.cnx SUBJECT_SAMPLE_FACTORS - 10R_1H_10Abril2018 group:Rectal 2.1 RAW_FILE_NAME=10R_1H_10Abril2018.fid; processed_filename=10R_1H_10Abril2018.cnx SUBJECT_SAMPLE_FACTORS - 11_1H_09Abril2018 group:Rectal 2.1 RAW_FILE_NAME=11_1H_09Abril2018.fid; processed_filename=11_1H_09Abril2018.cnx SUBJECT_SAMPLE_FACTORS - 11R_1H_10Abril2018 group:Rectal 2.1 RAW_FILE_NAME=11R_1H_10Abril2018.fid; processed_filename=11R_1H_10Abril2018.cnx SUBJECT_SAMPLE_FACTORS - 12_1H_10Abril2018 group:Rectal 2.1 RAW_FILE_NAME=12_1H_10Abril2018.fid; processed_filename=12_1H_10Abril2018.cnx SUBJECT_SAMPLE_FACTORS - 12.1_1H_10Abril2018 group:Rectal 2.1 RAW_FILE_NAME=12.1_1H_10Abril2018.fid; processed_filename=12.1_1H_10Abril2018.cnx SUBJECT_SAMPLE_FACTORS - 13_1H_11Abril2018 group:Rectal 3.1 RAW_FILE_NAME=13_1H_11Abril2018.fid; processed_filename=13_1H_11Abril2018.cnx SUBJECT_SAMPLE_FACTORS - 14_1H_11Abril2018 group:Rectal 3.1 RAW_FILE_NAME=14_1H_11Abril2018.fid; processed_filename=14_1H_11Abril2018.cnx SUBJECT_SAMPLE_FACTORS - 15_1H_11Abril2018 group:Rectal 3.1 RAW_FILE_NAME=15_1H_11Abril2018.fid; processed_filename=15_1H_11Abril2018.cnx SUBJECT_SAMPLE_FACTORS - 15.1_1H_11Abril2018 group:Rectal 3.1 RAW_FILE_NAME=15.1_1H_11Abril2018.fid; processed_filename=15.1_1H_11Abril2018.cnx SUBJECT_SAMPLE_FACTORS - 16_1H_11Abril2018 group:Rectal 4.1 RAW_FILE_NAME=16_1H_11Abril2018.fid; processed_filename=16_1H_11Abril2018.cnx SUBJECT_SAMPLE_FACTORS - 17_1H_11Abril2018 group:Rectal 4.1 RAW_FILE_NAME=17_1H_11Abril2018.fid; processed_filename=17_1H_11Abril2018.cnx SUBJECT_SAMPLE_FACTORS - 18_1H_11Abril2018 group:Rectal 4.1 RAW_FILE_NAME=18_1H_11Abril2018.fid; processed_filename=18_1H_11Abril2018.cnx SUBJECT_SAMPLE_FACTORS - 18.1_1H_12Abril2018 group:Rectal 4.1 RAW_FILE_NAME=18.1_1H_12Abril2018.fid; processed_filename=18.1_1H_12Abril2018.cnx #COLLECTION CO:COLLECTION_SUMMARY This study was carried out in strict accordance with the Animal Management Rule CO:COLLECTION_SUMMARY of the Brazilian Ministry of Environment (Sisbio 59826-1). The samples were CO:COLLECTION_SUMMARY obtained from three euthanized female animals in Tatuí/São Paulo State, Brazil CO:COLLECTION_SUMMARY (September 2017) as a measure of management of Rocky Mountain Spotted Fever CO:COLLECTION_SUMMARY (RMSF) hosts. After euthanasia, 20 g of intestinal contents were collected from CO:COLLECTION_SUMMARY the cecum and recto of each animal. All samples were placed in sterile CO:COLLECTION_SUMMARY containers and immediately frozen in liquid nitrogen. Samples were kept at −80 CO:COLLECTION_SUMMARY °C until processing. CO:SAMPLE_TYPE Cecum #TREATMENT TR:TREATMENT_SUMMARY Approximately 30 mg of dry cecal and rectal contents from three female animals TR:TREATMENT_SUMMARY were used for NRM-based metabolomics analysis #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Approximately 30 mg of dry cecal and rectal contents, and 300 μL of solution SP:SAMPLEPREP_SUMMARY 2:1 (methanol: chloroform) were mixed and sonicated for 1 min (4 cycles of 15 SP:SAMPLEPREP_SUMMARY sec with intervals of 10 sec) and placed at 4 °C for 15 min. Next, 300 μL of SP:SAMPLEPREP_SUMMARY solution 1:1 (methanol: ultrapure water) was added, followed by centrifugation SP:SAMPLEPREP_SUMMARY at 16,000 g and 4 °C for 20 min. The supernatant was transferred to a new tube SP:SAMPLEPREP_SUMMARY and were dried in CentriVap Solvent System (Labconco Corporation). Samples were SP:SAMPLEPREP_SUMMARY diluted to 630 μL by addition of D2O, 70 μL of sodium phosphate buffer (final SP:SAMPLEPREP_SUMMARY concentration 0.1 M) containing dimethyl-silapentane-sulfonate (final SP:SAMPLEPREP_SUMMARY concentration 0.5 mM) for NMR chemical shift reference and concentration SP:SAMPLEPREP_SUMMARY calibration. The samples were filtrated in a syringe filter with a 0.22 µm pore SP:SAMPLEPREP_SUMMARY size hydrophilic polyethersulfone (PES) membrane. #ANALYSIS AN:LABORATORY_NAME Brazilian Center for Research in Energy and Materials (CNPEM) #NMR NM:INSTRUMENT_NAME Varian Inova NMR spectrometer (Agilent Technologies Inc.) NM:INSTRUMENT_TYPE Other NM:NMR_EXPERIMENT_TYPE 1D-1H NM:SPECTROMETER_FREQUENCY 599.84 MHz #NMR_METABOLITE_DATA NMR_METABOLITE_DATA:UNITS μM NMR_METABOLITE_DATA_START Samples 1_1H_12Abril2018 2_1H_12Abril2018 3_1H_12Abril2018 R1_1H_20Abril2018 R2_1H_20Abril2018 R3_1H_20Abril2018 4_1H_12Abril2018 5_1H_12Abril2018 6_1H_13Abril2018 R4_1H_20Abril2018 R6_1H_19Abril2018 R6.1_1H_19Abril2018 7_1H_13Abril2018 9_1H_13Abril2018 R7_1H_19Abril2018 R8_1H_20Abril2018 R9_1H_20Abril2018 R9.1_1H_20Abril2018 10_1H_09Abril2018 10R_1H_10Abril2018 11_1H_09Abril2018 11R_1H_10Abril2018 12_1H_10Abril2018 12.1_1H_10Abril2018 13_1H_11Abril2018 14_1H_11Abril2018 15_1H_11Abril2018 15.1_1H_11Abril2018 16_1H_11Abril2018 17_1H_11Abril2018 18_1H_11Abril2018 18.1_1H_12Abril2018 Factors group:Cecal 2.1 group:Cecal 2.1 group:Cecal 2.1 group:Cecal 2.1 group:Cecal 2.1 group:Cecal 2.1 group:Cecal 3.1 group:Cecal 3.1 group:Cecal 3.1 group:Cecal 3.1 group:Cecal 3.1 group:Cecal 3.1 group:Cecal 4.1 group:Cecal 4.1 group:Cecal 4.1 group:Cecal 4.1 group:Cecal 4.1 group:Cecal 4.1 group:Rectal 2.1 group:Rectal 2.1 group:Rectal 2.1 group:Rectal 2.1 group:Rectal 2.1 group:Rectal 2.1 group:Rectal 3.1 group:Rectal 3.1 group:Rectal 3.1 group:Rectal 3.1 group:Rectal 4.1 group:Rectal 4.1 group:Rectal 4.1 group:Rectal 4.1 Acetate 81.1746031746032 56.6824034334764 31.8728813559322 88.8157894736842 115.593984962406 82.1973684210527 86.6505576208179 34.7075812274368 34.0751879699248 38.7785467128028 53.1468531468532 11.5864583333333 12.9759143621766 96.7123287671233 92.254295532646 82.3979933110368 90.744966442953 38.25 38.2195945945946 32.8338870431894 30.641196013289 34.5672131147541 33.8940397350993 7 8.1016393442623 4.51948051948052 3.50662251655629 27.0592105263158 55.4512987012987 58.5751633986928 61.6291390728477 Butyrate 23.6481481481481 16.4549356223176 9.17917675544794 25.1203007518797 33.8834586466165 21.9802631578947 49.4423791821561 23.5342960288809 20.3233082706767 16.7820069204152 24.5909090909091 2.671875 2.82158786797502 17.5376712328767 17.1890034364261 15.7859531772575 16.751677852349 5.83445945945946 5.52702702702703 6.77408637873754 6.34883720930233 7.26229508196721 5.83112582781457 5.77704918032787 7.01967213114754 4.77922077922078 1.18211920529801 7.81578947368421 12.8051948051948 14.4084967320261 15.0562913907285 Ethanol 84.5529100529101 68.5472103004292 45.3232445520581 31.7218045112782 150.59022556391 2.21052631578947 4.46096654275093 27.5689045936396 89.7689530685921 150.586466165414 1.43252595155709 2.18181818181818 27.8177083333333 23.8760035682426 0.917808219178082 0.34020618556701 1.38461538461538 0.536912751677852 50.9898648648649 50.9290540540541 33.0398671096345 30.5980066445183 39.3770491803279 35.4304635761589 58.2622950819672 23.0844155844156 0.344370860927152 1.63157894736842 0.480519480519481 2.94771241830065 0.639072847682119 Propionate 32.3597883597884 21.8669527896996 12.5266343825666 36.3759398496241 49.1203007518797 31.9572368421053 53.2899628252788 5.47703180212014 24.057761732852 22.7218045112782 21.3287197231834 29.965034965035 5.35729166666667 5.95361284567351 40.2739726027397 38.659793814433 34.2976588628763 38.1241610738255 16.3074324324324 16.2263513513514 15.8006644518272 14.7774086378738 16.6950819672131 14.6688741721854 3.00983606557377 4.24918032786885 2.52597402597403 0.867549668874172 14.8585526315789 27.3636363636364 28.6732026143791 30.7384105960265 Isovalerate 2.77777777777778 2.57296137339056 1.40193704600484 3.8609022556391 4.99248120300752 3.51644736842105 15.3791821561338 1.75618374558304 7.23104693140794 5.8609022556391 4.81660899653979 5.95804195804196 1.003125 1.21766280107047 6.13356164383562 5.15120274914089 5.4180602006689 5.86577181208054 2.09459459459459 2.16891891891892 2.2093023255814 2.15614617940199 2.48524590163934 1.91721854304636 1.84590163934426 1.60655737704918 1.58441558441558 0.304635761589404 1.917218543 1.917218543 1.917218543 1.917218543 Valerate 5.44444444444445 2.94849785407725 1.73607748184019 5.16541353383459 5.80075187969925 4.39802631578947 14.6877323420074 2.55712603062426 10.4440433212996 8.36842105263158 6.33564013840831 9.28671328671329 0.723958333333333 0.988403211418376 3.78082191780822 3.48797250859107 3.32107023411371 3.59395973154362 1.60472972972973 1.54054054054054 1.50830564784053 1.45847176079734 1.67213114754098 1.43708609271523 2.74426229508197 3.37704918032787 2.54545454545455 0.513245033112583 3.25328947368421 3.32467532467532 3.65359477124183 4.84105960264901 Valine 5.11375661375662 3.61158798283262 1.91767554479419 5.2593984962406 6.11654135338346 4.54605263157895 2.02602230483271 0.100117785630153 0.711191335740072 0.62406015037594 0.515570934256055 0.811188811188811 0.104166666666667 0.110615521855486 0.565068493150685 0.505154639175258 0.505016722408027 0.51006711409396 0.425675675675676 0.456081081081081 0.40531561461794 0.249169435215947 0.39344262295082 0.403973509933775 2.01639344262295 0.977049180327869 1.62987012987013 1.58278145695364 0.299342105263158 0.483766233766234 0.598039215686274 0.473509933774835 Alanine 3.1031746031746 3.41845493562232 1.91525423728814 4.99624060150376 5.49248120300752 3.67105263157895 23.5910780669145 1.68197879858657 8.0072202166065 7.45488721804511 8.78200692041523 13.6853146853147 0.183333333333333 0.194469223907226 1.15068493150685 1.24398625429553 1.05685618729097 1.32885906040268 1.46621621621622 1.62837837837838 1.05647840531561 0.614617940199335 1.08524590163934 1.52980132450331 3.54754098360656 2.27213114754098 3.12987012987013 4.24172185430464 0.891447368421053 1.36038961038961 1.50653594771242 1.52980132450331 Isoleucine 3.01058201058201 2.7618025751073 1.66949152542373 4.2781954887218 3.96616541353383 3.77302631578947 0.87360594795539 0.069493521790342 0.790613718411552 0.255639097744361 0.207612456747405 0.398601398601399 0.058333333333333 0.110615521855486 0.441780821917808 0.350515463917526 0.384615384615385 0.271812080536913 0.239864864864865 0.192567567567568 0.159468438538206 0.152823920265781 0.173770491803279 0.172185430463576 1.2655737704918 0.475409836065574 0.902597402597403 0.791390728476821 0.233552631578947 0.211038961038961 0.277777777777778 0.271523178807947 Leucine 4.21428571428572 2.74892703862661 1.88135593220339 5.67293233082707 5.33834586466165 4.85526315789474 2.91449814126394 0.257950530035336 1.29963898916968 0.710526315789474 0.643598615916955 1.65734265734266 0.027083333333333 0.072256913470116 0.458904109589041 0.268041237113402 0.317725752508361 0.318791946308725 0.371621621621622 0.293918918918919 0.418604651162791 0.312292358803987 0.373770491803279 0.387417218543046 0.747540983606558 0.704918032786885 0.74025974025974 0.996688741721854 0.210526315789474 0.295454545454545 0.379084967320261 0.324503311258278 Isobutyrate 2.31746031746032 2.10515021459227 1.25181598062954 3.93609022556391 5.42481203007519 3.26315789473684 30 3.2379269729093 13.9458483754513 14.7443609022556 11.757785467128 16.9615384615385 1.21666666666667 1.70651204281891 11.1506849315069 10.6975945017182 9.21739130434783 10.4026845637584 2.47297297297297 2.46621621621622 2.65116279069767 2.42857142857143 2.85901639344262 2.13576158940397 2.4983606557377 2.55081967213115 1.83116883116883 0.344370860927152 2.135761589 2.135761589 2.135761589 2.135761589 Phenylacetate 2.44179894179894 1.94635193133047 1.07506053268765 3.40977443609023 4.18796992481203 2.98355263157895 7.8996282527881 0.941107184923439 4.2129963898917 2.92857142857143 2.07958477508651 3.50699300699301 1.14583333333333 1.25512934879572 6.52397260273973 7.74226804123711 7.32441471571906 7.5 1.41216216216216 1.48986486486487 1.31893687707641 1.22259136212625 1.36065573770492 1.40066225165563 0.970491803278688 0.822950819672131 0.837662337662338 0.827814569536424 2.44736842105263 2.62337662337662 3.94117647058823 3.74834437086093 Glycerol 2.21164021164021 2.28969957081545 1.18401937046005 3.19924812030075 3.30451127819549 2.51315789473684 5.07063197026022 1.02120141342756 5.56678700361011 2.97744360902256 1.64705882352941 2.17482517482517 1.284375 1.16235504014273 1.97945205479452 1.68041237113402 1.60869565217391 1.64765100671141 4.34797297297297 4.33783783783784 2.17275747508306 2.00332225913621 2.12459016393443 4.33112582781457 1.4 1.14098360655738 1.12012987012987 1.55960264900662 2.86513157894737 1.60064935064935 1.79084967320261 1.7317880794702 Glycine 0 1.18240343347639 0.656174334140436 1.54887218045113 1.47368421052632 1.02302631578947 16.6914498141264 0.46643109540636 2.62093862815884 2.83834586466165 7.82006920415225 11.5104895104895 0.027083333333333 0.012488849241749 0.684931506849315 0.649484536082474 0.575250836120401 0.449664429530201 0.658783783783784 0.699324324324324 0.292358803986711 0.215946843853821 0.252459016393443 0.427152317880795 0.236065573770492 0.157377049180328 0.428571428571429 0.572847682119205 0.197368421052632 0.425324675324675 0.486928104575163 0.437086092715232 Formate 1.76190476190476 1.45922746781116 0.875302663438257 2.32330827067669 3.28947368421053 2.04605263157895 9.34944237918216 0.78680800942285 4.38628158844765 3.52255639097744 2.23529411764706 2.19230769230769 0.745833333333333 0.744870651204282 3.08219178082192 2.7319587628866 4.57190635451505 2.65771812080537 3 3.13175675675676 1.22591362126246 1.15282392026578 1.25901639344262 3.16225165562914 0.439344262295082 0.354098360655738 0.301948051948052 1.44701986754967 1.5 1.52597402597403 3.84313725490196 3.2317880794702 Tyramine 1.17989417989418 1.43991416309013 0.725181598062954 2.16917293233083 2.62781954887218 1.87828947368421 1.182156133829 1.45936395759717 5.6101083032491 5.6015037593985 1.97923875432526 2.16433566433566 0.31875 0.354148082069581 0.342465753424658 0.498281786941581 0.384615384615385 0.449664429530201 0.273648648648649 0.459459459459459 0.521594684385382 0.498338870431894 0.563934426229508 0.367549668874172 1.79344262295082 1.35409836065574 1.5974025974026 1.35761589403974 0.759868421052632 0.610389610389611 0.627450980392157 0.695364238410596 2-Aminobutyrate 0.986772486772487 1.01072961373391 0.451573849878935 1.40225563909774 1.40225563909774 0.819078947368421 2.00371747211896 0.244994110718492 0.866425992779783 0.593984962406015 0.685121107266436 0.552447552447552 0.057291666666667 0.050847457627119 0.236301369863014 0.34020618556701 0.307692307692308 0.348993288590604 0.375 0.307432432432432 0.322259136212624 0.239202657807309 0.183606557377049 0.188741721854305 0.560655737704918 0.688524590163934 0.73051948051948 0.688741721854305 0.174342105263158 0.224025974025974 0.30718954248366 0.221854304635762 Cadaverine 0.912698412698413 0.740343347639485 0.36682808716707 1.42857142857143 1.47744360902256 1.23355263157895 2.8996282527881 2.35924617196702 9.64259927797834 7.80827067669173 5.85467128027682 5.68531468531469 0.677083333333333 0.288135593220339 0.691780821917808 0.539518900343643 0.585284280936455 0.74496644295302 0.371621621621622 0.371621621621622 0.455149501661129 0.365448504983389 0.360655737704918 0.364238410596026 0.537704918032787 0.321311475409836 0.357142857142857 0.774834437086093 1.71381578947368 1.56493506493507 1.23529411764706 1.6953642384106 4-Hydroxyphenylacetate 0.497354497354498 0.504291845493562 0.292978208232446 0.736842105263158 0.763157894736842 0.55921052631579 2.05947955390335 0.163722025912839 0.815884476534296 0.909774436090225 0.740484429065744 1.05244755244755 0.327083333333333 0.370205173951829 2.75342465753425 2.42611683848797 2.5685618729097 2.64093959731544 0.344594594594595 0.344594594594595 0.235880398671096 0.205980066445183 0.19672131147541 0.304635761589404 0.314754098360656 0.20655737704918 0.201298701298701 0.062913907284768 1.09868421052632 1.62337662337662 2.00653594771242 2.00662251655629 Lactate 0.46031746031746 0.463519313304721 0.2590799031477 0.56015037593985 0.650375939849624 0.575657894736842 1.47211895910781 0.208480565371025 0.353790613718412 0.43609022556391 0.463667820069204 0.646853146853147 0.14375 0.106155218554862 0.267123287671233 0.302405498281787 0.214046822742475 0.288590604026846 1.75337837837838 1.63513513513514 1.38538205980066 1.2890365448505 1.7016393442623 1.48013245033113 0.698360655737705 0.39344262295082 0.233766233766234 0.367549668874172 0.292763157894737 0.701298701298701 0.529411764705882 0.437086092715232 3-Phenylpropionate 0.542328042328042 0.703862660944206 0.376513317191283 0.917293233082707 1.12781954887218 0.891447368421053 8.47211895910781 1.05889281507656 4.61371841155235 3.68421052631579 2.16262975778547 3.41608391608392 0.057291666666667 0.048171275646744 1.03424657534247 0.65979381443299 0.444816053511706 0.261744966442953 0.425675675675676 0.425675675675676 0.401993355481728 0.382059800664452 0.413114754098361 0.364238410596026 0.462295081967213 0.563934426229508 0.324675324675325 0.268211920529801 0.197368421052632 0.204545454545454 0.434640522875817 0.403973509933775 2-Hydroxy-3-methylvalerate 0.566137566137566 0.349785407725322 0.088377723970944 0.221804511278195 0.240601503759398 0.128289473684211 2.04460966542751 0.062426383981154 0.288808664259928 0.593984962406015 0.474048442906574 0.426573426573427 0.092708333333333 0.075825156110616 0.565068493150685 0.494845360824742 0.451505016722408 0.379194630872483 0.317567567567568 0.314189189189189 0.179401993355482 0.146179401993355 0.157377049180328 0.218543046357616 0.285245901639344 0.259016393442623 0.152597402597403 0.248344370860927 0.246710526315789 0.399350649350649 0.310457516339869 0.394039735099338 2-Hydroxybutyrate 0.55026455026455 0.199570815450644 0.070217917675545 0.067669172932331 0.259398496240602 0.236842105263158 3.01115241635688 0.104829210836278 0.328519855595668 0.12406015037594 0.093425605536332 0.562937062937063 0.036458333333333 0.025869759143622 0.356164383561644 0.257731958762887 0.230769230769231 0.295302013422819 0.097972972972973 0.14527027027027 0.096345514950166 0.059800664451827 0.036065573770492 0.049668874172186 0.314754098360656 0.095081967213115 0.074675324675325 0.096026490066225 0.095394736842105 0.506493506493506 0.669934640522876 0.33112582781457 Alloisoleucine 1.66402116402116 0.360515021459227 0.203389830508475 0.631578947368421 0.620300751879699 0.552631578947368 1.75092936802974 0.270906949352179 0.898916967509025 0.469924812030075 0.608996539792388 0.70979020979021 0.054166666666667 0.044603033006245 0.082191780821918 0.305841924398625 0.28428093645485 0.281879194630873 0.300675675675676 0.121621621621622 0.096345514950166 0.172757475083057 0.134426229508197 0.188741721854305 0.609836065573771 0.291803278688525 0.506493506493506 0.543046357615894 0.148026315789474 0.162337662337662 0.137254901960784 0.208609271523179 2'-Deoxyadenosine 0.150793650793651 0.128755364806867 0.071428571428572 0.214285714285714 0.293233082706767 0.144736842105263 0.360594795539034 0.015312131919906 0.180505415162455 0.390977443609023 0.173010380622837 0.122377622377622 0.047916666666667 0.054415700267618 0.167808219178082 0.072164948453608 0.137123745819398 0.228187919463087 0.195945945945946 0.155405405405405 0.162790697674419 0.119601328903655 0.144262295081967 0.129139072847682 0.134426229508197 0.163934426229508 0.162337662337662 0.132450331125828 0.105263157894737 0.094155844155844 0.199346405228758 0.152317880794702 Adenine 0.317460317460317 0.379828326180258 0.095641646489104 0.398496240601504 0.541353383458647 0.325657894736842 0.178438661710037 0.032979976442874 0.155234657039711 0.139097744360902 0.134948096885813 0.125874125874126 0.117708333333333 0.139161462979483 0.565068493150685 0.460481099656357 0.618729096989967 0.493288590604027 0.371621621621622 0.347972972972973 0.308970099667774 0.285714285714286 0.295081967213115 0.271523178807947 0.032786885245902 0.00983606557377 0.00974025974026 0.013245033112583 0.605263157894737 0.73051948051948 1.00653594771242 1.02649006622517 Indole-3-acetate 0.05026455026455 0.113733905579399 0.062953995157385 0.229323308270677 0.281954887218045 0.157894736842105 0.178438661710037 0.027090694935218 0.111913357400722 0.082706766917293 0.069204152249135 0.045454545454546 0.063541666666667 0.054415700267618 0.705479452054795 0.714776632302406 0.688963210702341 0.587248322147651 0.070945945945946 0.091216216216216 0.039867109634552 0.029900332225914 0.059016393442623 0.072847682119205 0.068852459016394 0.121311475409836 0.051948051948052 0.056291390728477 0.207236842105263 0.262987012987013 0.395424836601307 0.28476821192053 Isopropanol 0.216931216931217 0.130901287553648 0.038740920096852 0.093984962406015 0.225563909774436 0.082236842105263 0.483271375464684 0.089517078916372 0.209386281588448 0.180451127819549 0.107266435986159 0.195804195804196 0.027083333333333 0.033898305084746 0.099315068493151 0.030927835051546 0.137123745819398 0.140939597315436 0.064189189189189 0.067567567567568 0.096345514950166 0.089700996677741 0.049180327868853 0.072847682119205 0.095081967213115 0.147540983606557 0.094155844155844 0.036423841059603 0.075657894736842 0.032467532467533 0.068627450980392 0.066225165562914 2-Oxocaproate 0 0.105150214592275 0.050847457627119 0.18796992481203 0.31203007518797 0.138157894736842 0.50185873605948 0.082449941107185 0.194945848375451 0.285714285714286 0.193771626297578 0.377622377622378 0.142708333333333 0.095450490633363 1.64041095890411 1.33676975945017 1.438127090301 1.26510067114094 0.219594594594595 0.182432432432432 0.18936877076412 0.13953488372093 0.104918032786885 0.062913907284768 0.052459016393443 0.124590163934426 0.142857142857143 0.096026490066225 0.134868421052632 0.178571428571429 0.401960784313726 0.377483443708609 4-Aminobutyrate 0.142857142857143 0.087982832618026 0.01452784503632 0.169172932330827 0.142857142857143 0.098684210526316 0.568773234200744 0.017667844522968 0.115523465703971 0.056390977443609 0.051903114186851 0.213286713286713 0.022916666666667 0.033898305084746 0.246575342465753 0.237113402061856 0.260869565217391 0.271812080536913 0.081081081081081 0.060810810810811 0.069767441860465 0.06312292358804 0.081967213114754 0.04635761589404 0.062295081967213 0.068852459016394 0.094155844155844 0.079470198675497 0.069078947368421 0.178571428571429 0.127450980392157 0.139072847682119 Glutarate 0 0.137339055793991 0.078692493946731 0.353383458646616 0.293233082706767 0.4375 3.8364312267658 0.041224970553593 0.458483754512635 0.263157894736842 0.705882352941176 1.48601398601399 0.11875 0.098126672613738 3.28424657534247 2.98281786941581 3.23745819397993 3.3255033557047 0.131756756756757 0.162162162162162 0.142857142857143 0.073089700996678 0.131147540983607 0.09271523178808 0.321311475409836 0.301639344262295 0.24025974025974 0.135761589403974 0.523026315789474 1.43181818181818 2.1797385620915 2.1523178807947 Carnitine 0.17989417989418 0.060085836909871 0.031476997578693 0.109022556390977 0.109022556390977 0.069078947368421 0.330855018587361 0.120141342756184 0.191335740072202 0.206766917293233 0.072664359861592 0.136363636363636 0.032291666666667 0.031222123104371 0.23972602739726 0.268041237113402 0.220735785953177 0.325503355704698 0.064189189189189 0.027027027027027 0.056478405315615 0.023255813953488 0.059016393442623 0.059602649006623 0.236065573770492 0.20327868852459 0.233766233766234 0.019867549668874 0.009868421052632 0.038961038961039 0.140522875816993 0.033112582781457 Carnosine 0.182539682539683 0.070815450643777 0.036319612590799 0.093984962406015 0.139097744360902 0.095394736842105 0.048327137546468 0.015312131919906 0.064981949458484 0.082706766917293 0.079584775086505 0.05944055944056 0.020833333333333 0.022301516503122 0.068493150684932 0.06872852233677 0.066889632107023 0.060402684563758 0.060810810810811 0.081081081081081 0.059800664451827 0.046511627906977 0.039344262295082 0.059602649006623 0.072131147540984 0.059016393442623 0.038961038961039 0.026490066225166 0.05921052631579 0.025974025974026 0.068627450980392 0.052980132450331 Cholate 0.05026455026455 0.053648068669528 0.025423728813559 0.071428571428572 0.06015037593985 0.069078947368421 0.089219330855019 0.023557126030624 0.036101083032491 0.015037593984962 0.020761245674741 0.038461538461539 0.004166666666667 0.006244424620874 0.023972602739726 0.02405498281787 0.020066889632107 0.016778523489933 0.067567567567568 0.060810810810811 0.079734219269103 0.073089700996678 0.085245901639344 0.066225165562914 0.042622950819672 0.029508196721312 0.022727272727273 0.016556291390729 0.019736842105263 0.006493506493507 0.016339869281046 0.013245033112583 Choline 0.055555555555556 0.070815450643777 0.016949152542373 0.075187969924812 0.06015037593985 0.055921052631579 0.104089219330855 0.00942285041225 0.03971119133574 0.116541353383459 0.044982698961938 0.076923076923077 0.017708333333333 0.019625334522748 0.116438356164384 0.109965635738832 0.130434782608696 0.087248322147651 0.128378378378378 0.121621621621622 0.132890365448505 0.112956810631229 0.101639344262295 0.049668874172186 0.045901639344262 0.019672131147541 0.022727272727273 0.029801324503311 0.069078947368421 0.146103896103896 0.137254901960784 0.142384105960265 Glucose 0.12962962962963 0.570815450643777 0.121065375302663 0.526315789473684 0.518796992481203 0.240131578947368 2.10408921933086 0.07773851590106 0.350180505415162 1.04135338345865 1.66782006920415 2.4965034965035 0.028125 0.044603033006245 1.37671232876712 1.03780068728522 1.1505016722408 1.25167785234899 0.935810810810811 0.966216216216216 0.282392026578073 0.235880398671096 0.186885245901639 0.589403973509934 2.07540983606557 0.249180327868852 0.288961038961039 0.533112582781457 0.605263157894737 1.97727272727273 1.63071895424837 1.72516556291391 p-Cresol 0.328042328042328 0.259656652360515 0.151331719128329 0.447368421052632 0.56015037593985 0.31578947368421 0.189591078066914 0.011778563015312 0.104693140794224 0.067669172932331 0.044982698961938 0.090909090909091 0.125 0.098126672613738 0.078767123287671 0.079037800687285 0.117056856187291 0.080536912751678 0.347972972972973 0.351351351351351 0.3421926910299 0.332225913621262 0.377049180327869 0.301324503311258 0.285245901639344 0.275409836065574 0.217532467532468 0.026490066225166 0.779605263157895 0.090909090909091 0.261437908496732 0.172185430463576 Hypoxanthine 0.232804232804233 0.229613733905579 0.106537530266344 0.330827067669173 0.390977443609023 0.286184210526316 0.141263940520446 0.014134275618375 0.097472924187726 0.229323308270677 0.145328719723183 0.20979020979021 0.027083333333333 0.029438001784121 0.308219178082192 0.209621993127148 0.297658862876254 0.26510067114094 0.334459459459459 0.364864864864865 0.322259136212624 0.332225913621262 0.40983606557377 0.321192052980132 0.337704918032787 0.052459016393443 0.035714285714286 0.09271523178808 0.111842105263158 0.201298701298701 0.264705882352941 0.268211920529801 Phenylalanine 0.497354497354498 0.817596566523605 0.453995157384988 1.28195488721805 1.43233082706767 1.05263157894737 0.41635687732342 0.051825677267373 0.288808664259928 0.191729323308271 0.096885813148789 0.192307692307692 0.044791666666667 0.034790365744871 0.212328767123288 0.178694158075601 0.207357859531773 0.214765100671141 0.155405405405405 0.10472972972973 0.102990033222591 0.073089700996678 0.111475409836066 0.105960264900662 0.216393442622951 0.101639344262295 0.165584415584416 0.172185430463576 0.118421052631579 0.100649350649351 0.101307189542484 0.155629139072848 N,N-Dimethylformamide 0.455026455026455 0.334763948497854 0.188861985472155 0.545112781954887 1.09398496240602 0.207236842105263 0.104089219330855 0.040047114252061 0.151624548736462 0.229323308270677 0.100346020761246 0.101398601398601 0.051041666666667 0.046387154326494 0.160958904109589 0.144329896907216 0.050167224080268 0.154362416107383 0.405405405405405 0.378378378378378 0.588039867109635 0.534883720930233 0.59344262295082 0.367549668874172 0.498360655737705 0.334426229508197 0.214285714285714 0.019867549668874 0.118421052631579 0.094155844155844 0.117647058823529 0.06953642384106 Succinate 0 0.042918454935622 0.027845036319613 0.052631578947369 0.056390977443609 0.046052631578947 1.21561338289963 0.022379269729093 0.090252707581228 0.086466165413534 0.529411764705882 0.723776223776224 0.030208333333333 0.031222123104371 2.81164383561644 2.71134020618557 2.35451505016722 2.70134228187919 0.128378378378378 0.128378378378378 0.049833887043189 0.046511627906977 0.059016393442623 0.089403973509934 0.055737704918033 0.036065573770492 0.051948051948052 0.06953642384106 0.296052631578947 0.964285714285714 1.52941176470588 1.5 Levulinate 0.068783068783069 0.040772532188841 0.02179176755448 0.082706766917293 0.105263157894737 0.065789473684211 0.438661710037175 0.028268551236749 0.122743682310469 0.135338345864662 0.110726643598616 0.188811188811189 0.03125 0.03835860838537 0.181506849315069 0.175257731958763 0.167224080267559 0.177852348993289 0.043918918918919 0.054054054054054 0.049833887043189 0.043189368770764 0.055737704918033 0.029801324503311 0.042622950819672 0.049180327868853 0.084415584415585 0.062913907284768 0.098684210526316 0.123376623376623 0.15359477124183 0.158940397350993 Lysine 0.304232804232804 0.186695278969957 0.105326876513317 0.191729323308271 0.327067669172932 0.171052631578947 0.639405204460967 0.095406360424028 0.285198555956679 0.755639097744361 0.785467128027682 0.72027972027972 0.105208333333333 0.12042818911686 0.503424657534247 0.542955326460481 0.434782608695652 0.573825503355705 0.283783783783784 0.375 0.365448504983389 0.275747508305648 0.255737704918033 0.16887417218543 0.295081967213115 0.308196721311475 0.305194805194805 0.43046357615894 0.427631578947368 0.775974025974026 1.29084967320261 0.867549668874172 Methionine 0.082010582010582 0.064377682403434 0.02179176755448 0.105263157894737 0.157894736842105 0.065789473684211 0.144981412639405 0.004711425206125 0.028880866425993 0.048872180451128 0.055363321799308 0.108391608391608 0.007291666666667 0.010704727921499 0.150684931506849 0.127147766323024 0.120401337792642 0.12751677852349 0.070945945945946 0.067567567567568 0.049833887043189 0.046511627906977 0.042622950819672 0.049668874172186 0.20327868852459 0.032786885245902 0.051948051948052 0.162251655629139 0.046052631578947 0.058441558441559 0.11437908496732 0.119205298013245 Methylamine 0.17989417989418 0.139484978540773 0.009685230024213 0.233082706766917 0.308270676691729 0.213815789473684 0.0817843866171 0.016489988221437 0.036101083032491 0.033834586466166 0.017301038062284 0.031468531468532 0.029166666666667 0.036574487065121 0.078767123287671 0.099656357388316 0.076923076923077 0.10738255033557 0.101351351351351 0.10472972972973 0.136212624584718 0.129568106312292 0.147540983606557 0.072847682119205 0.00983606557377 0.032786885245902 0.025974025974026 0.019867549668874 0.085526315789474 0.107142857142857 0.104575163398693 0.119205298013245 N6-Acetyllysine 0.28042328042328 0.1931330472103 0.071428571428572 0.225563909774436 0.236842105263158 0.233552631578947 0.907063197026023 0.361601884570082 0.971119133574007 1.18796992481203 0.820069204152249 1.05944055944056 0.176041666666667 0.172167707404104 0.582191780821918 0.604810996563574 0.615384615384615 0.543624161073825 0.179054054054054 0.192567567567568 0.225913621262458 0.182724252491694 0.232786885245902 0.16887417218543 0.177049180327869 0.39016393442623 0.13961038961039 0.274834437086093 0.526315789473684 0.415584415584416 0.464052287581699 0.705298013245033 Nicotinate 0.074074074074074 0.227467811158798 0.135593220338983 0.338345864661654 0.417293233082707 0.342105263157895 1.28624535315985 0.109540636042403 0.476534296028881 0.526315789473684 0.515570934256055 0.762237762237762 0.079166666666667 0.081177520071365 0.636986301369863 0.621993127147766 0.612040133779264 0.624161073825503 0.327702702702703 0.334459459459459 0.299003322259136 0.269102990033223 0.304918032786885 0.298013245033113 0.104918032786885 0.075409836065574 0.045454545454546 0.076158940397351 0.273026315789474 0.412337662337662 0.558823529411765 0.513245033112583 O-Acetylcholine 0.097883597883598 0.040772532188841 0.035108958837772 0.015037593984962 0.033834586466166 0.016447368421053 0.263940520446097 0.030624263839812 0.101083032490975 0.086466165413534 0.062283737024222 0.097902097902098 0.007291666666667 0.005352363960749 0.116438356164384 0.106529209621993 0.100334448160535 0.070469798657718 0.027027027027027 0.033783783783784 0.016611295681063 0.029900332225914 0.026229508196721 0.009933774834437 0.029508196721312 0.032786885245902 0.025974025974026 0.006622516556291 0.016447368421053 0.084415584415585 0.065359477124183 0.132450331125828 Sarcosine 0.055555555555556 0.032188841201717 0.0181598062954 0.071428571428572 0.071428571428572 0.05921052631579 0.405204460966543 0.02944640753828 0.097472924187726 0.093984962406015 0.031141868512111 0.090909090909091 0.026041666666667 0.016949152542373 0.051369863013699 0.11340206185567 0.060200668896321 0.204697986577181 0.037162162162162 0.037162162162162 0.026578073089701 0.023255813953488 0.029508196721312 0.02317880794702 0.039344262295082 0.039344262295082 0.032467532467533 0.122516556291391 0.039473684210526 0.071428571428572 0.101307189542484 0.102649006622517 NMR_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name HMDB Accession Number KEGG Acetate HMDB00042 C00033 Butyrate HMDB00039 C00246 Ethanol HMDB00108 C00469 Propionate HMDB00237 C00163 Isovalerate HMDB00718 C08262 Valerate HMDB00892 C00803 Valine HMDB00883 C00183 Alanine HMDB00161 C00041 Isoleucine HMDB00172 C00407 Leucine HMDB00687 C00123 Isobutyrate HMDB01873 C02632 Phenylacetate HMDB00209 C07086 Glycerol HMDB00131 C00116 Glycine HMDB00123 C00037 Formate HMDB00142 C00058 Tyramine HMDB00306 C00483 2-Aminobutyrate HMDB00452 C02356 Cadaverine HMDB02322 C01672 4-Hydroxyphenylacetate HMDB00020 C00642 Lactate HMDB00190 C00186 3-Phenylpropionate HMDB00764 C05629 2-Hydroxy-3-methylvalerate HMDB00317 2-Hydroxybutyrate HMDB00008 C05984 Alloisoleucine HMDB00557 2'-Deoxyadenosine HMDB00101 C00559 Adenine HMDB00034 C00147 Indole-3-acetate HMDB00197 C00954 Isopropanol HMDB00863 C01845 2-Oxocaproate HMDB01864 C00902 4-Aminobutyrate HMDB00112 C00334 Glutarate HMDB00661 C00489 Carnitine HMDB00062 C00318 Carnosine HMDB00033 C00386 Cholate HMDB00619 C00695 Choline HMDB00097 C00114 Glucose HMDB00122 C00031 p-Cresol HMDB01858 C01468 Hypoxanthine HMDB00157 C00262 Phenylalanine HMDB00159 C00079 N,N-Dimethylformamide HMDB01888 C03134 Succinate HMDB00254 C00042 Levulinate HMDB00720 Lysine HMDB00182 C00047 Methionine HMDB00696 C00073 Methylamine HMDB00164 C00218 N6-Acetyllysine HMDB00206 C02727 Nicotinate HMDB01488 C00253 O-Acetylcholine HMDB00895 C01996 Sarcosine HMDB00271 C00213 METABOLITES_END #END