#METABOLOMICS WORKBENCH Yujinlee0421_20220704_171504 DATATRACK_ID:3329 STUDY_ID:ST002261 ANALYSIS_ID:AN003694 PROJECT_ID:PR001443 VERSION 1 CREATED_ON August 17, 2022, 1:18 pm #PROJECT PR:PROJECT_TITLE Mechanistic study of pediatric obesity through metabolomics and metagenomics PR:PROJECT_SUMMARY Pediatric obesity has grown as an important global health problem in the world. PR:PROJECT_SUMMARY Pediatric obesity affects all the organs and it is closely linked to risks of PR:PROJECT_SUMMARY metabolic diseases such as diabetes, cardiovascular disease, and mental disease. PR:PROJECT_SUMMARY Although many researchers reported results about the pediatric obesity study, PR:PROJECT_SUMMARY the mechanism of both pediatric obesity and its treatment remains unclear. PR:PROJECT_SUMMARY Therefore, we investigated the metabolomic pathways related to pediatric obesity PR:PROJECT_SUMMARY and the treatment through metabolomics and metagenomics approaches. PR:INSTITUTE Department of Clinical Pharmacology and Therapeutics, Seoul National University PR:INSTITUTE College of Medicine and Hospital PR:LAST_NAME Lee PR:FIRST_NAME Yujin PR:ADDRESS 101 Daehak-ro, Jongno-gu, Seoul 110-799, Korea, Seoul, Seoul, 03080, Korea, PR:ADDRESS South PR:EMAIL yoojinlee@snu.ac.kr PR:PHONE +82-10-3380-4686 #STUDY ST:STUDY_TITLE Investigating metabolic pathways of pediatric obesity (urine) ST:STUDY_SUMMARY The pediatric obesity influences all the organs and is closely linked to an ST:STUDY_SUMMARY increased risk of diverse diseases such as diabetes, cardiovascular, stroke, ST:STUDY_SUMMARY social problems and depression. Therefore, there is needed to diverse study for ST:STUDY_SUMMARY effective methods for the prevention and treatment of pediatric obesity. Diverse ST:STUDY_SUMMARY evidences suggest that gut microbiome and its metabolites affect metabolic ST:STUDY_SUMMARY disease such as obesity, diabetes, and heart disease. Previous studies in human ST:STUDY_SUMMARY and fecal transplantation experiments in animal models identified connections ST:STUDY_SUMMARY between the metabolic diseases and gut microbiota [4]. Moreover, metabolites can ST:STUDY_SUMMARY be fulfilled as diagnostic, prognostic, and therapeutic targets for diseases. ST:STUDY_SUMMARY Thus, approaches using metagenomics and metabolomics have the potential to ST:STUDY_SUMMARY provide new insights into metabolomic pathways of the diseases and help ST:STUDY_SUMMARY personalized and efficient treatments. In this study, we aimed to investigate ST:STUDY_SUMMARY metabolomic pathways of pediatric obesity analyzing both metabolome and ST:STUDY_SUMMARY microbiome profiles. In addition, we proceeded obese intervention with obese ST:STUDY_SUMMARY children to examine underlying metabolomic pathways related to effect of the ST:STUDY_SUMMARY intervention. ST:INSTITUTE Department of Clinical Pharmacology and Therapeutics, Seoul National University ST:INSTITUTE College of Medicine and Hospital ST:LAST_NAME Lee ST:FIRST_NAME Yujin ST:ADDRESS 101 Daehak-ro, Jongno-gu, Seoul 110-799, Korea, Seoul, Seoul, 03080, Korea, ST:ADDRESS South ST:EMAIL yoojinlee@snu.ac.kr ST:PHONE +82-10-3380-4686 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:GENDER Male and female #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 Nor01 N01 Gender:M | Group:Normal Race=Asian; RAW_FILE_NAME=N01_01 SUBJECT_SAMPLE_FACTORS Nor02 N02 Gender:M | Group:Normal Race=Asian; RAW_FILE_NAME=N02_01 SUBJECT_SAMPLE_FACTORS Nor03 N03 Gender:M | Group:Normal Race=Asian; RAW_FILE_NAME=N03_01 SUBJECT_SAMPLE_FACTORS Nor04 N04 Gender:F | Group:Normal Race=Asian; RAW_FILE_NAME=N04_01 SUBJECT_SAMPLE_FACTORS Nor05 N05 Gender:M | Group:Normal Race=Asian; RAW_FILE_NAME=N05_01 SUBJECT_SAMPLE_FACTORS Nor06 N06 Gender:M | Group:Normal Race=Asian; RAW_FILE_NAME=N06_01 SUBJECT_SAMPLE_FACTORS Nor07 N07 Gender:M | Group:Normal Race=Asian; RAW_FILE_NAME=N07_01 SUBJECT_SAMPLE_FACTORS Nor08 N08 Gender:F | Group:Normal Race=Asian; RAW_FILE_NAME=N08_01 SUBJECT_SAMPLE_FACTORS Nor09 N09 Gender:M | Group:Normal Race=Asian; RAW_FILE_NAME=N09_01 SUBJECT_SAMPLE_FACTORS Nor10 N10 Gender:F | Group:Normal Race=Asian; RAW_FILE_NAME=N10_01 SUBJECT_SAMPLE_FACTORS Nor11 N11 Gender:M | Group:Normal Race=Asian; RAW_FILE_NAME=N11_01 SUBJECT_SAMPLE_FACTORS Nor12 N12 Gender:F | Group:Normal Race=Asian; RAW_FILE_NAME=N12_01 SUBJECT_SAMPLE_FACTORS Nor13 N13 Gender:M | Group:Normal Race=Asian; RAW_FILE_NAME=N13_01 SUBJECT_SAMPLE_FACTORS Nor14 N14 Gender:F | Group:Normal Race=Asian; RAW_FILE_NAME=N14_01 SUBJECT_SAMPLE_FACTORS Nor15 N15 Gender:M | Group:Normal Race=Asian; RAW_FILE_NAME=N15_01 SUBJECT_SAMPLE_FACTORS Nor16 N16 Gender:M | Group:Normal Race=Asian; RAW_FILE_NAME=N16_01 SUBJECT_SAMPLE_FACTORS Nor17 N17 Gender:M | Group:Normal Race=Asian; RAW_FILE_NAME=N17_01 SUBJECT_SAMPLE_FACTORS Nor18 N18 Gender:M | Group:Normal Race=Asian; RAW_FILE_NAME=N18_01 SUBJECT_SAMPLE_FACTORS Nor19 N19 Gender:F | Group:Normal Race=Asian; RAW_FILE_NAME=N19_01 SUBJECT_SAMPLE_FACTORS Nor20 N20 Gender:M | Group:Normal Race=Asian; RAW_FILE_NAME=N20_01 SUBJECT_SAMPLE_FACTORS Nor21 N21 Gender:M | Group:Normal Race=Asian; RAW_FILE_NAME=N21_01 SUBJECT_SAMPLE_FACTORS Nor22 N22 Gender:F | Group:Normal Race=Asian; RAW_FILE_NAME=N22_01 SUBJECT_SAMPLE_FACTORS Obe01 M01 Gender:M | Group:Obe Race=Asian; RAW_FILE_NAME=M01_01 SUBJECT_SAMPLE_FACTORS Obe02 M02 Gender:F | Group:Obe Race=Asian; RAW_FILE_NAME=M02_01 SUBJECT_SAMPLE_FACTORS Obe03 M03 Gender:M | Group:Obe Race=Asian; RAW_FILE_NAME=M03_01 SUBJECT_SAMPLE_FACTORS Obe04 M04 Gender:M | Group:Obe Race=Asian; RAW_FILE_NAME=M04_01 SUBJECT_SAMPLE_FACTORS Obe05 M05 Gender:M | Group:Obe Race=Asian; RAW_FILE_NAME=M05_01 SUBJECT_SAMPLE_FACTORS Obe06 M06 Gender:F | Group:Obe Race=Asian; RAW_FILE_NAME=M06_01 SUBJECT_SAMPLE_FACTORS Obe07 M07 Gender:F | Group:Obe Race=Asian; RAW_FILE_NAME=M07_01 SUBJECT_SAMPLE_FACTORS Obe08 M08 Gender:F | Group:Obe Race=Asian; RAW_FILE_NAME=M08_01 SUBJECT_SAMPLE_FACTORS Obe09 M09 Gender:F | Group:Obe Race=Asian; RAW_FILE_NAME=M09_01 SUBJECT_SAMPLE_FACTORS Obe10 M10 Gender:F | Group:Obe Race=Asian; RAW_FILE_NAME=M10_01 SUBJECT_SAMPLE_FACTORS Obe11 M11 Gender:F | Group:Obe Race=Asian; RAW_FILE_NAME=M11_01 SUBJECT_SAMPLE_FACTORS Obe12 M12 Gender:M | Group:Obe Race=Asian; RAW_FILE_NAME=M12_01 SUBJECT_SAMPLE_FACTORS Obe14 M14 Gender:F | Group:Obe Race=Asian; RAW_FILE_NAME=M14_01 SUBJECT_SAMPLE_FACTORS Obe15 M15 Gender:M | Group:Obe Race=Asian; RAW_FILE_NAME=M15_01 SUBJECT_SAMPLE_FACTORS Obe16 M16 Gender:F | Group:Obe Race=Asian; RAW_FILE_NAME=M16_01 SUBJECT_SAMPLE_FACTORS Obe17 M17 Gender:M | Group:Obe Race=Asian; RAW_FILE_NAME=M17_01 SUBJECT_SAMPLE_FACTORS Obe18 M18 Gender:M | Group:Obe Race=Asian; RAW_FILE_NAME=M18_01 SUBJECT_SAMPLE_FACTORS Obe19 M19 Gender:F | Group:Obe Race=Asian; RAW_FILE_NAME=M19_01 SUBJECT_SAMPLE_FACTORS Obe20 M20 Gender:M | Group:Obe Race=Asian; RAW_FILE_NAME=M20_01 SUBJECT_SAMPLE_FACTORS Obe21 M21 Gender:M | Group:Obe Race=Asian; RAW_FILE_NAME=M21_01 SUBJECT_SAMPLE_FACTORS Obe22 M22 Gender:M | Group:Obe Race=Asian; RAW_FILE_NAME=M22_01 SUBJECT_SAMPLE_FACTORS Obe23 M23 Gender:M | Group:Obe Race=Asian; RAW_FILE_NAME=M23_01 SUBJECT_SAMPLE_FACTORS Obe24 M24 Gender:M | Group:Obe Race=Asian; RAW_FILE_NAME=M24_01 SUBJECT_SAMPLE_FACTORS Obe25 M25 Gender:F | Group:Obe Race=Asian; RAW_FILE_NAME=M25_01 SUBJECT_SAMPLE_FACTORS Obe26 M26 Gender:M | Group:Obe Race=Asian; RAW_FILE_NAME=M26_01 SUBJECT_SAMPLE_FACTORS Obe28 M28 Gender:M | Group:Obe Race=Asian; RAW_FILE_NAME=M28_01 SUBJECT_SAMPLE_FACTORS Obe29 M29 Gender:F | Group:Obe Race=Asian; RAW_FILE_NAME=M29_01 SUBJECT_SAMPLE_FACTORS Obe31 M31 Gender:F | Group:Obe Race=Asian; RAW_FILE_NAME=M31_01 SUBJECT_SAMPLE_FACTORS Obe32 M32 Gender:F | Group:Obe Race=Asian; RAW_FILE_NAME=M32_01 SUBJECT_SAMPLE_FACTORS Obe33 M33 Gender:M | Group:Obe Race=Asian; RAW_FILE_NAME=M33_01 SUBJECT_SAMPLE_FACTORS Obe35 M35 Gender:M | Group:Obe Race=Asian; RAW_FILE_NAME=M35_01 SUBJECT_SAMPLE_FACTORS Obe36 M36 Gender:M | Group:Obe Race=Asian; RAW_FILE_NAME=M36_01 SUBJECT_SAMPLE_FACTORS Obe37 M37 Gender:M | Group:Obe Race=Asian; RAW_FILE_NAME=M37_01 SUBJECT_SAMPLE_FACTORS Obe40 M40 Gender:M | Group:Obe Race=Asian; RAW_FILE_NAME=M40_01 SUBJECT_SAMPLE_FACTORS Obe41 M41 Gender:F | Group:Obe Race=Asian; RAW_FILE_NAME=M41_01 SUBJECT_SAMPLE_FACTORS Obe42 M42 Gender:M | Group:Obe Race=Asian; RAW_FILE_NAME=M42_01 #COLLECTION CO:COLLECTION_SUMMARY This longitudinal cohort study is an analysis of urine samples collected from CO:COLLECTION_SUMMARY obese children before and after a 2-month weight reduction program that CO:COLLECTION_SUMMARY consisted of three visits to the hospital. CO:SAMPLE_TYPE Urine #TREATMENT TR:TREATMENT_SUMMARY Participants completed the questionnaires on general lifestyle (the time spent TR:TREATMENT_SUMMARY studying and using electronic devices, the duration and frequency of regular TR:TREATMENT_SUMMARY exercise, the presence of easily accessible locations to exercise, and their TR:TREATMENT_SUMMARY mode of transportation to school) and eating habits (meal duration, the TR:TREATMENT_SUMMARY consumption of late-night snacks, the consumption of breakfast, and the intake TR:TREATMENT_SUMMARY of sugar-sweetened beverages) and submitted them at the first hospital visit. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Frozen serum samples were thawed on ice. For preparation of the serum, a 50 µL SP:SAMPLEPREP_SUMMARY sample was extracted using 1 mL of N2-degassed 1st extraction solution. Then, SP:SAMPLEPREP_SUMMARY the samples were mixed for 10 min and centrifuged for 10 min at 18945 RCF and SP:SAMPLEPREP_SUMMARY 4°C. The supernatant was dried for 6 hours at 45°C. The dried samples were SP:SAMPLEPREP_SUMMARY re-extracted with 2nd extraction solution. Then, the extracted samples were SP:SAMPLEPREP_SUMMARY redried for 8 hours under the same conditions used in the first extraction step. SP:SAMPLEPREP_SUMMARY The dried samples were derivatized with methoxyamine at 30°C for 90 min and SP:SAMPLEPREP_SUMMARY subsequently trimethylsilylated with a mixture of fatty acid methyl ester, which SP:SAMPLEPREP_SUMMARY is used for the retention time index, in SP:SAMPLEPREP_SUMMARY N-methyl-N-(trimethylsilyl)-trifluoroacetamide at 70°C for 45 min. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE GC CH:INSTRUMENT_NAME Agilent 7890B CH:COLUMN_NAME Restek Rtx-5Sil MS (30 x 0.25mm, 0.25um) #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Leco Pegasus HT TOF MS:INSTRUMENT_TYPE GC-TOF MS:MS_TYPE EI MS:ION_MODE NEGATIVE MS:MS_COMMENTS Leco ChromaTOF-GC Sofrware v4.72.0.0 #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS intensity MS_METABOLITE_DATA_START Samples N01 N02 N03 N04 N05 N06 N07 N08 N09 N10 N11 N12 N13 N14 N15 N16 N17 N18 N19 N20 N21 N22 M01 M02 M03 M04 M05 M06 M07 M08 M09 M10 M11 M12 M14 M15 M16 M17 M18 M19 M20 M21 M22 M23 M24 M25 M26 M28 M29 M31 M32 M33 M35 M36 M37 M40 M41 M42 Factors Gender:M | Group:Normal Gender:M | Group:Normal Gender:M | Group:Normal Gender:F | Group:Normal Gender:M | Group:Normal Gender:M | Group:Normal Gender:M | Group:Normal Gender:F | Group:Normal Gender:M | Group:Normal Gender:F | Group:Normal Gender:M | Group:Normal Gender:F | Group:Normal Gender:M | Group:Normal Gender:F | Group:Normal Gender:M | Group:Normal Gender:M | Group:Normal Gender:M | Group:Normal Gender:M | Group:Normal Gender:F | Group:Normal Gender:M | Group:Normal Gender:M | Group:Normal Gender:F | Group:Normal Gender:M | Group:Obe Gender:F | Group:Obe Gender:M | Group:Obe Gender:M | Group:Obe Gender:M | Group:Obe Gender:F | Group:Obe Gender:F | Group:Obe Gender:F | Group:Obe Gender:F | Group:Obe Gender:F | Group:Obe Gender:F | Group:Obe Gender:M | Group:Obe Gender:F | Group:Obe Gender:M | Group:Obe Gender:F | Group:Obe Gender:M | Group:Obe Gender:M | Group:Obe Gender:F | Group:Obe Gender:M | Group:Obe Gender:M | Group:Obe Gender:M | Group:Obe Gender:M | Group:Obe Gender:M | Group:Obe Gender:F | Group:Obe Gender:M | Group:Obe Gender:M | Group:Obe Gender:F | Group:Obe Gender:F | Group:Obe Gender:F | Group:Obe Gender:M | Group:Obe Gender:M | Group:Obe Gender:M | Group:Obe Gender:M | Group:Obe Gender:M | Group:Obe Gender:F | Group:Obe Gender:M | Group:Obe L-Cystine 0.545651 0.3218655 0.4441497 0.5572552 0.5592846 0.5880898 0.4826662 0.4700141 0.5855563 0.2999687 0.1545092 0.2712448 0.7939335 0.2987217 0.5544625 0.5808485 0.2701078 0.8416813 0.6552302 0.8907069 0.9420243 0.4920436 0.3141069 0.7027681 0.5414748 0.5723576 0.4117751 0.616291 0.4235726 1.294549 0.8536448 0.469818 0.562496 0.7033192 1.3128178 1.5232057 1.2397345 0.5713745 0.5702519 1.1570562 0.6233869 0.5958326 0.7361307 0.7865517 0.9591129 0.8175478 1.1724497 0.6921647 0.7570778 1.6327164 1.6643339 0.8867498 0.4145878 1.0742463 0.4599333 0.7630969 0.5164882 0.9067817 2,4-DiOH-butyrate 4.4125857 7.5979784 4.1704459 3.6181847 8.2605057 4.0490095 7.4273658 3.9356977 3.8518683 3.4388695 0.7422163 2.7590387 3.3860533 4.7466263 8.9013062 4.6018175 3.1444044 10.8750249 8.106683 6.5583471 4.8175573 3.7229745 1.732813 3.0207302 3.5423773 4.0809574 2.4533745 3.0318802 2.217468 3.1948908 3.7120377 2.3528861 2.1883569 3.4580237 4.1526866 4.7374344 4.0142268 2.5495132 3.0856144 2.2007517 2.3948936 2.9982373 3.159712 2.9104901 4.0167337 3.9850819 3.1236108 3.7518633 3.1075404 5.0004535 4.3492122 4.9956009 2.6551804 3.1920181 2.5792119 5.012373 3.1962846 6.1815702 Ribonic acid 1.0648958 1.2899029 0.9466547 0.7691156 2.8417273 0.9415337 6.0703989 0.9165021 1.6652806 1.7486868 0.4042487 0.4816302 0.8865618 1.2046317 2.4366531 1.4117911 1.107636 1.9155901 0.793366 1.0702271 1.2833117 1.5161583 0.4368805 0.6706001 1.0695773 0.9151424 0.6647957 0.7284536 0.6476591 0.7295486 0.7850492 0.4616643 0.5570686 0.749972 1.104232 1.08542 0.6453782 0.8648606 0.7195064 0.6241431 0.7454214 0.6312961 0.7895284 0.4725637 1.0336547 0.7188822 0.8612527 0.8514898 0.4974021 0.6115889 0.7690379 0.9340681 0.6426629 0.9417608 0.4447958 1.0283229 0.7499507 1.7085277 2,3-DiOH-butyrate 0.5871868 1.181611 0.9780214 0.9100872 1.4703002 0.9475309 1.1332379 1.8683689 1.0934863 0.4901747 0.2169495 0.4800959 1.1251214 1.1477338 1.90061 1.7379391 1.3728368 1.4530069 1.211063 1.0170834 0.8763756 1.6469436 1.6297507 1.8578131 1.9389106 2.0057735 1.2986109 2.5529561 1.3299109 2.2174269 2.2378568 1.709189 1.5554515 2.3901074 2.1290875 3.2613103 2.8886275 1.6618674 1.8917693 3.5088187 1.8904415 2.2333175 1.9417855 2.2276311 3.1410273 2.3578751 2.1544175 2.1815651 1.6670585 3.2646086 2.9036112 1.993454 2.314538 2.4768843 1.2735712 5.4299819 1.3084812 3.4642519 Adonitol 0.10488711 0.10656986 0.0566199 0.13065027 0.14236814 0.1505535 0.09951719 0.11386271 0.08751988 0.05780031 0.03120168 0.05721525 0.10108533 0.12720418 0.08663779 0.18055984 0.15621436 0.16122564 0.11207258 0.08651816 0.07179137 0.07527926 0.0479741 0.13886465 0.07506258 0.063425 0.06288697 0.22855964 0.16781118 0.19800276 0.22749701 0.06440086 0.0999864 0.11984081 0.23304581 0.25028057 0.17103342 0.08655762 0.08324015 0.28388052 0.16754535 0.07479087 0.18837812 0.12891223 0.15234315 0.25201311 0.09758772 0.15695592 0.17127544 0.2458131 0.26735938 0.07020348 0.02938393 0.1197929 0.10118879 0.39905456 0.07081904 0.18885836 Glyceric acid 0.35882792 0.19121797 0.13350367 0.23981421 0.30621025 0.30859402 0.38769589 0.18509511 0.19671746 0.44184697 0.04862176 0.06615225 0.14541459 0.17873331 0.14359602 0.26079512 0.96898357 0.18537564 0.16556115 0.15792631 0.33574119 0.37159514 0.11534276 0.0934763 0.12211335 0.10661743 0.11720894 0.10127323 0.12637099 0.13703193 0.11858951 0.12663525 0.13118975 0.05949543 0.19923961 0.1195092 0.18492796 0.0743699 0.09228933 0.08817393 0.13917017 0.13070541 0.21324785 0.0878356 0.24081269 0.20423273 0.11647332 0.14251304 0.14506008 0.13578757 0.35242115 0.11012817 0.14884862 0.10925683 0.110385 0.21122798 0.09532651 0.20753146 Threonic acid 2.0088492 2.62744 2.1037751 1.8693895 3.0973055 1.5710836 5.7069423 2.1323172 2.5006668 3.2670224 0.8483583 0.8000656 1.6961321 2.1007495 4.0714574 2.7194281 7.5773073 3.7511132 2.089551 2.8827098 2.4505026 8.5537375 0.891543 1.1926107 1.8483405 2.2466456 1.235268 1.7356894 1.6138214 1.8424508 2.2102965 1.2963299 1.6376291 1.7691387 2.7621228 2.7572051 1.610018 1.4200281 1.2167647 1.9999876 1.6126366 1.5201825 1.6341295 1.0879593 3.0881903 2.3367462 2.3328353 1.9932007 1.0599314 1.2799812 1.7778034 1.9635495 1.2965456 1.6115899 1.307331 2.7841871 2.6232741 3.8893717 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name HMDB PubChem KEGG L-Cystine HMDB0000192 67678 C00491 2,4-DiOH-butyrate HMDB0000360 192742 NA Ribonic acid HMDB0000867 5460677 C01685 2,3-DiOH-butyrate HMDB0000360 192742 NA Adonitol HMDB0000508 - C00474 Glyceric acid HMDB0000139 439194 C00258 Threonic acid HMDB0000943 151152 C01620 METABOLITES_END #END