#METABOLOMICS WORKBENCH DATATRACK_ID:4084 STUDY_ID:ST000273 ANALYSIS_ID:AN000436 VERSION 1 CREATED_ON 08-09-2023 #PROJECT PR:PROJECT_TITLE Longitudinal Studies of HIV-Associated Bacterial Pneumonia PR:PROJECT_SUMMARY SCFA metabolites, increased Treg, reduced Th17 lymphocytes and blunted immune PR:PROJECT_SUMMARY response ex vivo PR:INSTITUTE New York University PR:DEPARTMENT Pulmonary Medicine PR:LABORATORY Weiden Lab PR:LAST_NAME Weiden PR:FIRST_NAME Michael PR:ADDRESS New York PR:EMAIL michael.weiden@nyumc.org PR:PHONE 212-263-6479 PR:DOI http://dx.doi.org/10.21228/M8BP4D #STUDY ST:STUDY_TITLE Short-chain fatty acid analysis in bronchoalveolar lavage fluid (BAL SCFA) ST:STUDY_TYPE We will correlate the bacterial gene abundance with the metabolite concentration ST:STUDY_SUMMARY The study is intended to find if correlation exists between the abundance of ST:STUDY_SUMMARY bacterial gene for pyruvate ferredoxin oxidoreductase (PFOR) and short-chain ST:STUDY_SUMMARY fatty acids concentration in bronchoalveolar lavage fluid from patients with ST:STUDY_SUMMARY HIV-Associated Bacterial Pneumonia. ST:INSTITUTE University of Michigan; New York University ST:DEPARTMENT Pulmonary Medicine ST:LABORATORY Weiden Lab(New York University School of Medicine) ST:LAST_NAME Weiden ST:FIRST_NAME Michael ST:ADDRESS New York ST:EMAIL michael.weiden@nyumc.org ST:PHONE 212-263-6479 ST:SUBMIT_DATE 2014-03-26 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:SPECIES_GROUP Human #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - S00013188 PFOR level:High SUBJECT_SAMPLE_FACTORS - S00013189 PFOR level:High SUBJECT_SAMPLE_FACTORS - S00013190 PFOR level:High SUBJECT_SAMPLE_FACTORS - S00013191 PFOR level:High SUBJECT_SAMPLE_FACTORS - S00013192 PFOR level:High SUBJECT_SAMPLE_FACTORS - S00013193 PFOR level:High SUBJECT_SAMPLE_FACTORS - S00013194 PFOR level:High SUBJECT_SAMPLE_FACTORS - S00013195 PFOR level:High SUBJECT_SAMPLE_FACTORS - S00013196 PFOR level:High SUBJECT_SAMPLE_FACTORS - S00013197 PFOR level:High SUBJECT_SAMPLE_FACTORS - S00013198 PFOR level:High SUBJECT_SAMPLE_FACTORS - S00013199 PFOR level:High SUBJECT_SAMPLE_FACTORS - S00013200 PFOR level:High SUBJECT_SAMPLE_FACTORS - S00013201 PFOR level:High SUBJECT_SAMPLE_FACTORS - S00013202 PFOR level:High SUBJECT_SAMPLE_FACTORS - S00013203 PFOR level:High SUBJECT_SAMPLE_FACTORS - S00013204 PFOR level:High SUBJECT_SAMPLE_FACTORS - S00013205 PFOR level:High SUBJECT_SAMPLE_FACTORS - S00013206 PFOR level:High SUBJECT_SAMPLE_FACTORS - S00013207 PFOR level:High SUBJECT_SAMPLE_FACTORS - S00013208 PFOR level:High SUBJECT_SAMPLE_FACTORS - S00013209 PFOR level:High SUBJECT_SAMPLE_FACTORS - S00013210 PFOR level:High SUBJECT_SAMPLE_FACTORS - S00013211 PFOR level:High SUBJECT_SAMPLE_FACTORS - S00013212 PFOR level:High SUBJECT_SAMPLE_FACTORS - S00013213 PFOR level:High SUBJECT_SAMPLE_FACTORS - S00013214 PFOR level:High SUBJECT_SAMPLE_FACTORS - S00013176 PFOR level:Low SUBJECT_SAMPLE_FACTORS - S00013177 PFOR level:Low SUBJECT_SAMPLE_FACTORS - S00013178 PFOR level:Low SUBJECT_SAMPLE_FACTORS - S00013179 PFOR level:Low SUBJECT_SAMPLE_FACTORS - S00013180 PFOR level:Low SUBJECT_SAMPLE_FACTORS - S00013181 PFOR level:Low SUBJECT_SAMPLE_FACTORS - S00013182 PFOR level:Low SUBJECT_SAMPLE_FACTORS - S00013183 PFOR level:Low SUBJECT_SAMPLE_FACTORS - S00013184 PFOR level:Low SUBJECT_SAMPLE_FACTORS - S00013185 PFOR level:Low SUBJECT_SAMPLE_FACTORS - S00013186 PFOR level:Low SUBJECT_SAMPLE_FACTORS - S00013187 PFOR level:Low #COLLECTION CO:COLLECTION_SUMMARY -- CO:SAMPLE_TYPE Bronchoalveolar Lavage Fluid #TREATMENT #SAMPLEPREP SP:SAMPLEPREP_SUMMARY -- SP:SAMPLEPREP_PROTOCOL_FILENAME SCFA_analysis_protocol-2015-03-10.docx #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY -- CH:METHODS_ID AQM030 CH:METHODS_FILENAME WAXPLUS_100-200C_2_SIM.M.txt CH:INSTRUMENT_NAME -- CH:COLUMN_NAME Phenomenex Zebron ZB-WAXplus (30m x 0.25mm,0.25um) CH:COLUMN_TEMPERATURE -- CH:FLOW_GRADIENT -- CH:FLOW_RATE -- CH:SOLVENT_A -- CH:SOLVENT_B -- CH:CHROMATOGRAPHY_TYPE GC #ANALYSIS AN:LABORATORY_NAME MRC2 (University of Michigan) AN:ANALYSIS_TYPE MS AN:ACQUISITION_ID AQM030 AN:ACQUISITION_PARAMETERS_FILE WAXPLUS_100-200C_2_SIM.M.txt AN:PROCESSING_PARAMETERS_FILE EX00259-SCFA-Quant-methods.m.zip #MS MS:INSTRUMENT_NAME Agilent 5975C MS:INSTRUMENT_TYPE Single quadrupole MS:MS_TYPE EI MS:ION_MODE POSITIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS umol MS_METABOLITE_DATA_START Samples S00013188 S00013189 S00013190 S00013191 S00013192 S00013193 S00013194 S00013195 S00013196 S00013197 S00013198 S00013199 S00013200 S00013201 S00013202 S00013203 S00013204 S00013205 S00013206 S00013207 S00013208 S00013209 S00013210 S00013211 S00013212 S00013213 S00013214 S00013176 S00013177 S00013178 S00013179 S00013180 S00013181 S00013182 S00013183 S00013184 S00013185 S00013186 S00013187 Factors PFOR level:High PFOR level:High PFOR level:High PFOR level:High PFOR level:High PFOR level:High PFOR level:High PFOR level:High PFOR level:High PFOR level:High PFOR level:High PFOR level:High PFOR level:High PFOR level:High PFOR level:High PFOR level:High PFOR level:High PFOR level:High PFOR level:High PFOR level:High PFOR level:High PFOR level:High PFOR level:High PFOR level:High PFOR level:High PFOR level:High PFOR level:High PFOR level:Low PFOR level:Low PFOR level:Low PFOR level:Low PFOR level:Low PFOR level:Low PFOR level:Low PFOR level:Low PFOR level:Low PFOR level:Low PFOR level:Low PFOR level:Low aceticacid 125.4738 202.6652 16206.0356 90.1038 245.1341 52585.6805 404.1562 739.8899 576.9240 434.1006 815.4372 833.2870 946.3980 213577.3137 1034.0521 394.5271 298.3528 317.4493 305.2079 219.1145 34219.4352 484.0812 324.6209 326.7996 446.6337 1288.7821 418.4188 272.6739 108.4775 199.2590 187.7172 97.1326 81.4415 236.0357 663.1666 584.3792 1024.1801 586.6075 447.2441 butyricacid 173.2336 233.7818 240.5708 103.0454 heptanoicacid hexanoicacid 19.1643 19.0814 8.6892 19.7569 19.6920 9.8974 19.0185 37.0153 22.6553 18.1592 18.8641 22.8974 18.9476 10.0745 18.8856 21.9440 18.4657 19.3458 20.1644 20.1798 8.7564 21.1553 19.5101 19.0610 19.0768 38.3618 19.0822 38.7537 18.5654 23.6713 18.0812 18.9229 18.9418 21.9028 37.5680 35.2073 53.6142 36.6472 38.3886 isovalericacid 51.9048 51.9048 114.8345 52.4538 51.9048 147.2040 51.9048 103.8096 51.9048 52.5725 51.9048 52.0477 51.9048 143.1684 51.9048 51.9048 51.9048 51.9048 52.1758 52.1801 99.1897 52.1195 55.1237 51.9048 51.9048 104.4914 51.9048 105.4568 52.4877 55.8633 51.9048 52.2259 51.9048 51.9048 103.8096 103.8096 150.9958 104.1911 103.8096 propionic acid 165.9091 258.2328 6.4202 3.5826 10.7804 312.7194 11.0727 134.0618 0.6731 11.3477 valericacid 57.5868 84.5696 86.2615 37.9877 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name pubchem_id inchi_key kegg_id other_id other_id_type ri ri_type moverz_quant aceticacid 176 C00033 Acetate UM_Target_ID butyricacid 20975673 C00246 Butyrate UM_Target_ID heptanoicacid 8094 C05799 Heptanoate UM_Target_ID hexanoicacid 8892 C01585 Hexanoate UM_Target_ID isovalericacid 10430 C08262 Isovalerate UM_Target_ID propionic acid 1032 C00163 Propionate UM_Target_ID valericacid 7991 C00803 Valerate UM_Target_ID METABOLITES_END #END