#METABOLOMICS WORKBENCH araskind_20150609_9134981_mwtab.txt DATATRACK_ID:295 STUDY_ID:ST000194 ANALYSIS_ID:AN000296 PROJECT_ID:PR000165 VERSION 1 CREATED_ON 2016-09-17 #PROJECT PR:PROJECT_TITLE Tumor Suppression PR:PROJECT_SUMMARY Tumor suppression by diet in mice fed HFWD PR:INSTITUTE University of Michigan PR:DEPARTMENT Animal Medicine PR:LABORATORY Bergin Lab PR:LAST_NAME Bergin PR:FIRST_NAME Ingrid PR:ADDRESS Ann Arbor, MI PR:EMAIL ingridbe@med.umich.edu PR:PHONE 734-936-1701 #STUDY ST:STUDY_TITLE Lanthanide-mineral induced alteration of bile acid metabolism in a murine model ST:STUDY_TITLE steatohepatitis ST:STUDY_SUMMARY 120 mice (equal number of males and females) were randomized into 3 equal ST:STUDY_SUMMARY One group is on a HFWD alone, a second group is on HFWD supplemented with ST:STUDY_SUMMARY and calcium, and a third control group is supplemented with calcium alone. At ST:STUDY_SUMMARY termination (18 months) we will harvest hepatocytes and colonic enterocytes for ST:STUDY_SUMMARY of epithelial gene expression patterns. We will also harvest cecal contents and ST:STUDY_SUMMARY for microbial profiling by 16S rRNA pyrosequencing. For this small pilot ST:STUDY_SUMMARY we wish to add an untargeted metabolomic analysis component. We will harvest ST:STUDY_SUMMARY (right medial lobe with gall bladder), serum, and feces. We will assay ST:STUDY_SUMMARY liver/gall bladder samples (8 from the HFWD group and 8 from the ST:STUDY_SUMMARY supplemented group). Remaining liver samples and the serum and feces will be ST:STUDY_SUMMARY for future investigation. Liver is being targeted first since both ST:STUDY_SUMMARY and hepatocellular carcinoma were seen in our previous study in mice on HFWD ST:STUDY_SUMMARY Additionally, alterations of bile acid profiles and bile acid metabolism have ST:STUDY_SUMMARY associated with both steatohepatitis and hepatic cancers. ST:INSTITUTE University of Michigan ST:DEPARTMENT Biomedical Research Core Facilities ST:LABORATORY Metabolomics core ST:LAST_NAME Kachman ST:FIRST_NAME Maureen ST:ADDRESS 6300 Brehm Tower, 1000 Wall Street, Ann Arbor, MI 48105-5714 ST:EMAIL mkachman@umich.edu ST:PHONE - ST:NUM_GROUPS 20 ST:TOTAL_SUBJECTS 20 #SUBJECT SU:SUBJECT_TYPE - SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS SU0004311 S00015185 Sample Label:HF-Ca-M-1-B | Diet:HFWD + Calcium SUBJECT_SAMPLE_FACTORS SU0004312 S00015186 Sample Label:HF-Ca-M-1-C | Diet:HFWD + Calcium SUBJECT_SAMPLE_FACTORS SU0004317 S00015191 Sample Label:HF-Ca-M-1-D | Diet:HFWD + Calcium SUBJECT_SAMPLE_FACTORS SU0004313 S00015187 Sample Label:HF-Ca-M-1-E | Diet:HFWD + Calcium SUBJECT_SAMPLE_FACTORS SU0004319 S00015193 Sample Label:HF-Ca-M-2-B | Diet:HFWD + Calcium SUBJECT_SAMPLE_FACTORS SU0004318 S00015192 Sample Label:HF-Ca-M-2-D | Diet:HFWD + Calcium SUBJECT_SAMPLE_FACTORS SU0004314 S00015188 Sample Label:HF-Ca-M-3-B | Diet:HFWD + Calcium SUBJECT_SAMPLE_FACTORS SU0004315 S00015189 Sample Label:HF-Ca-M-3-C | Diet:HFWD + Calcium SUBJECT_SAMPLE_FACTORS SU0004316 S00015190 Sample Label:HF-Ca-M-3-E | Diet:HFWD + Calcium SUBJECT_SAMPLE_FACTORS SU0004307 S00015181 Sample Label:HF-M-1-B | Diet:HFWD SUBJECT_SAMPLE_FACTORS SU0004308 S00015182 Sample Label:HF-M-1-E | Diet:HFWD SUBJECT_SAMPLE_FACTORS SU0004309 S00015183 Sample Label:HF-M-2-B | Diet:HFWD SUBJECT_SAMPLE_FACTORS SU0004310 S00015184 Sample Label:HF-M-2-E | Diet:HFWD SUBJECT_SAMPLE_FACTORS SU0004301 S00015175 Sample Label:HF-M-3-B | Diet:HFWD SUBJECT_SAMPLE_FACTORS SU0004302 S00015176 Sample Label:HF-M-3-C | Diet:HFWD SUBJECT_SAMPLE_FACTORS SU0004303 S00015177 Sample Label:HF-M-3-D | Diet:HFWD SUBJECT_SAMPLE_FACTORS SU0004304 S00015178 Sample Label:HF-M-3-E | Diet:HFWD SUBJECT_SAMPLE_FACTORS SU0004305 S00015179 Sample Label:HF-M-4-D | Diet:HFWD SUBJECT_SAMPLE_FACTORS SU0004306 S00015180 Sample Label:HF-M-4-E | Diet:HFWD #COLLECTION CO:COLLECTION_SUMMARY - CO:SAMPLE_TYPE Liver #TREATMENT TR:TREATMENT_SUMMARY - #SAMPLEPREP SP:SAMPLEPREP_SUMMARY - SP:SAMPLEPREP_PROTOCOL_FILENAME Bile-acids-2015-03-11.docx #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME - CH:COLUMN_NAME Waters Acquity BEH C18 (50 x 2.1mm, 1.7um) CH:METHODS_ID AQM041 CH:METHODS_FILENAME 2014-07-30-Bile_acid-full-BEH-C18-h.m.zip #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME MRC2 (University of Michigan) AN:ACQUISITION_PARAMETERS_FILE 2014-07-30-Bile_acid-full-BEH-C18-h.m.zip #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME Agilent 6490 QQQ MS:INSTRUMENT_TYPE Triple quadrupole MS:MS_TYPE ESI MS:ION_MODE NEGATIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS pmol/mg sample MS_METABOLITE_DATA_START Samples S00015185 S00015186 S00015191 S00015187 S00015193 S00015192 S00015188 S00015189 S00015190 S00015181 S00015182 S00015183 S00015184 S00015175 S00015176 S00015177 S00015178 S00015179 S00015180 Factors Sample Label:HF-Ca-M-1-B | Diet:HFWD + Calcium Sample Label:HF-Ca-M-1-C | Diet:HFWD + Calcium Sample Label:HF-Ca-M-1-D | Diet:HFWD + Calcium Sample Label:HF-Ca-M-1-E | Diet:HFWD + Calcium Sample Label:HF-Ca-M-2-B | Diet:HFWD + Calcium Sample Label:HF-Ca-M-2-D | Diet:HFWD + Calcium Sample Label:HF-Ca-M-3-B | Diet:HFWD + Calcium Sample Label:HF-Ca-M-3-C | Diet:HFWD + Calcium Sample Label:HF-Ca-M-3-E | Diet:HFWD + Calcium Sample Label:HF-M-1-B | Diet:HFWD Sample Label:HF-M-1-E | Diet:HFWD Sample Label:HF-M-2-B | Diet:HFWD Sample Label:HF-M-2-E | Diet:HFWD Sample Label:HF-M-3-B | Diet:HFWD Sample Label:HF-M-3-C | Diet:HFWD Sample Label:HF-M-3-D | Diet:HFWD Sample Label:HF-M-3-E | Diet:HFWD Sample Label:HF-M-4-D | Diet:HFWD Sample Label:HF-M-4-E | Diet:HFWD 3a_7a_12a-trihydroxycholestanoic acid 3.6320 53.5045 5.3690 1.9533 6.8330 18.5920 1.1146 14.9692 26.2514 2.0534 1.3590 5.8821 14.2864 1.4280 3.8001 3.4052 1.9695 39.7499 15.5598 a-Muricholic acid 1.9443 11.7691 0.3538 0.6332 0.5172 1.8836 0.6503 0.9455 2.5539 0.3036 0.2167 0.1454 4.8336 0.3842 0.7776 1.1141 0.2197 2.1933 0.5662 b-Muricholic acid 9.8639 4.2822 0.7722 4.3970 0.4776 2.2668 0.6257 0.4475 3.1467 3.8925 1.0432 8.2233 11.0872 1.0500 4.1412 2.0738 0.6304 1.8917 0.6722 Chenodeoxycholic acid 0.3253 0.8401 0.2263 0.7093 1.6558 0.1850 0.4210 0.1718 0.1915 0.8849 0.1301 0.3200 0.3963 0.1993 0.5151 0.3727 0.2621 0.2566 0.2359 Cholic acid 3.3523 34.5679 0.0000 0.1399 0.0000 5.2337 0.0000 1.9917 2.7161 1.7647 0.0000 5.8089 57.4975 0.0000 2.6533 4.8035 1.8432 15.8432 2.5665 Deoxycholic acid 0.3254 0.7583 0.2264 0.7221 1.3247 0.1829 0.4211 0.1719 0.1916 0.8255 0.1283 0.3299 0.3486 0.1994 0.4293 0.3837 0.2718 0.2596 0.2490 Glychocholic acid 0.3076 7.7975 0.1404 0.2107 0.0361 0.1266 0.1160 0.2661 0.4390 0.0511 0.0211 0.1129 0.3217 0.1226 0.0927 0.3783 0.0769 0.2945 0.1080 Glycochenodeoxycholic acid 0.0260 0.3809 0.0428 0.0383 0.0285 0.0166 0.0338 0.0463 0.1339 0.0275 0.0201 0.0425 0.0379 0.0223 0.0358 0.0412 0.0157 0.0401 0.0239 Glycodeoxycholic acid 0.0159 0.1829 0.0067 0.0091 0.0106 0.0164 0.0118 0.0121 0.0126 0.0040 0.0064 0.0049 0.0217 0.0218 0.0087 0.0261 0.0026 0.0774 0.0076 Glycohyocholic acid 0.0000 0.1135 0.2496 0.0285 0.0408 0.0337 0.0000 0.0987 1.3428 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 Glycohyodeoxycholic acid 0.0021 0.1424 0.0369 0.0183 0.0183 0.0438 0.0069 0.0369 0.2502 0.0034 0.0039 0.0031 0.0271 0.0156 0.0096 0.0090 0.0065 0.0514 0.0218 Glycolithocholic acid 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.1163 0.0000 0.0000 0.0000 0.0000 0.0000 0.8723 0.0000 0.0000 0.3511 0.0000 0.0000 Glycoursodeoxycholic acid 0.0125 0.3007 0.0057 0.0006 0.0056 0.0096 0.0077 0.0108 0.0394 0.0112 0.0086 0.0007 0.0163 0.0082 0.0104 0.0103 0.0045 0.0405 0.0115 g-Muricholic acid (hyocholic acid) 0.0138 0.0756 0.0085 0.0097 0.0164 0.0453 0.0000 0.0142 0.0216 0.0206 0.0000 0.0143 0.4281 0.0086 0.0234 0.0094 0.0029 0.0625 0.0222 Hyodeoxycholic acid 0.0635 0.3563 0.0778 0.2748 0.3448 0.9526 0.0000 0.1220 0.4311 0.1471 0.0270 0.0754 0.2187 0.0576 0.2273 0.1695 0.0317 0.0000 0.2335 Isolithocholic acid 44.5831 6.7831 14.8767 27.5083 14.2327 9.6965 12.3129 9.8887 18.6633 3.1142 12.8114 17.5718 4.2268 37.5320 4.8120 21.5341 2.3332 17.5226 3.6020 Lithocholic acid 0.0000 0.0000 0.0676 0.0000 0.1366 0.0818 0.0502 0.0993 0.1745 0.8679 0.0976 0.0000 0.0836 0.4321 0.8352 0.1203 0.0000 0.0000 0.0420 Tauro-alpha-muricholic acid 655.2233 3184.6489 457.5887 448.1933 328.5053 727.7531 213.7944 852.2769 1420.1525 83.0496 67.3755 823.1837 649.8302 205.7924 745.8606 539.2578 384.3034 1393.7356 562.7211 TAURO-BETA-MURICHOLIC ACID 3199.7118 15397.6458 1715.1231 1199.1936 542.0865 1568.9530 674.6877 2011.4785 5737.3126 2874.0615 1464.7865 3032.2616 2135.1745 1158.2170 2807.9095 2070.8580 1178.3665 3937.3276 1280.9615 Taurochenodeoxycholic acid 13.1477 262.1204 12.7159 15.8247 9.6538 22.2724 5.1056 35.6838 28.7412 3.6634 9.5879 3.8499 21.5771 16.6703 32.9337 34.8743 6.3363 52.8306 22.5355 Taurocholic acid 123.5439 1317.7751 145.0903 117.6796 46.5661 107.3487 63.4168 267.1139 494.9627 59.6425 44.5998 259.2680 196.3206 80.7015 146.0337 211.5578 84.4622 325.5349 146.2078 Taurodeoxycholic acid 13.1477 262.1204 12.7159 15.8247 9.6538 22.2724 5.1056 35.6838 28.7412 3.6634 9.5879 3.8499 21.5771 16.6703 32.9337 34.8743 6.3363 52.8306 22.5355 TAUROHYODEOXYCHOLIC ACID 7.3230 104.0725 13.6166 7.4028 14.5504 29.6807 4.1699 25.2890 54.6481 8.0185 4.8094 5.9119 20.7078 8.1275 21.9499 16.2924 7.3984 66.6345 27.9793 Taurolithocolic acid 0.3799 6.0160 0.2508 0.2917 0.4374 0.4328 0.4509 0.7267 0.6367 0.1900 0.2485 0.1725 0.2901 0.2981 0.4514 0.2872 0.1307 1.8326 0.3662 Ursodeoxycholic acid 0.1160 0.3335 0.0524 0.2679 0.0000 0.1626 0.0096 0.0578 0.1376 0.1107 0.0231 0.0525 0.0819 0.0847 0.1881 0.1081 0.0310 0.0288 0.0500 w-Muricholic acid 1.3299 5.7253 0.2477 1.3019 0.4640 1.8864 0.2864 0.5236 1.2600 0.5092 0.0428 1.8386 6.9046 0.1971 1.1675 0.7579 0.2439 3.4187 0.5884 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name moverz_quant ri ri_type pubchem_id inchi_key kegg_id other_id other_id_type 3a,7a,12a-trihydroxycholestanoic acid 122312 THCA UM_Target_ID a-Muricholic acid 53477700 aMCA UM_Target_ID b-Muricholic acid 5283853 bMCA UM_Target_ID Chenodeoxycholic acid 10133 CDCA UM_Target_ID Cholic acid 221493 CA UM_Target_ID Deoxycholic acid 6742 DCA UM_Target_ID Glychocholic acid 10140 GCA UM_Target_ID Glycochenodeoxycholic acid 9548796 GCDCA UM_Target_ID Glycodeoxycholic acid 18602029 GDCA UM_Target_ID Glycohyocholic acid 13955647 GHCA UM_Target_ID Glycohyodeoxycholic acid 114611 GHDCA UM_Target_ID Glycolithocholic acid 115245 GLCA UM_Target_ID Glycoursodeoxycholic acid 12310288 GUDCA UM_Target_ID g-Muricholic acid (hyocholic acid) 92805 HCA UM_Target_ID Hyodeoxycholic acid 16219478 HDCA UM_Target_ID Isolithocholic acid 164853 iLCA UM_Target_ID Lithocholic acid 9903 LCA UM_Target_ID Tauro-alpha-muricholic acid 168408 TaMCA UM_Target_ID TAURO-BETA-MURICHOLIC ACID 168408 T-bMCA UM_Target_ID Taurochenodeoxycholic acid 54608447 TCDCA UM_Target_ID Taurocholic acid 6675 TCA UM_Target_ID Taurodeoxycholic acid 10594 TDCA UM_Target_ID TAUROHYODEOXYCHOLIC ACID 9848818 THDCA UM_Target_ID Taurolithocolic acid 10595 TLCA UM_Target_ID Ursodeoxycholic acid 54285959 UDCA UM_Target_ID w-Muricholic acid 5283851 wMCA UM_Target_ID METABOLITES_END #END