#METABOLOMICS WORKBENCH Metadata - 2013-14 Lengyel 18 hour NIH WCMC Pilot - Newman DATATRACK_ID:143 STUDY_ID:ST000096 ANALYSIS_ID:AN000152 VERSION 1 CREATED_ON 02-08-2024 #PROJECT PR:PROJECT_TITLE A study of changes in lipid metabolism of ovarian cancer cells co-cultured with PR:PROJECT_TITLE adipocytes PR:PROJECT_TYPE timecourse study PR:PROJECT_SUMMARY A study of changes in lipid metabolism of ovarian cancer cells co-cultured with PR:PROJECT_SUMMARY adipocytestimecourse studyThis West Coast Metabolomics Center pilot and PR:PROJECT_SUMMARY feasibility project was granted to Ernst Lengyel (University of Chicago). The PR:PROJECT_SUMMARY biology of ovarian cancer (OvCa) is clearly distinct from that of most PR:PROJECT_SUMMARY epithelial tumors, in that hematogenous metastases are rare, and ovarian tumors PR:PROJECT_SUMMARY remain confined to the peritoneal cavity. The omentum, a large pad of fat tissue PR:PROJECT_SUMMARY (20x13x3cm) covering the bowel, is the most common site of OvCa metastasis. It PR:PROJECT_SUMMARY consists primarily of adipocytes, which become the principal microenvironment PR:PROJECT_SUMMARY for the OvCa cells. The underlying hypothesis for this application is that, in PR:PROJECT_SUMMARY the presence of adipocytes, the metabolism of OvCa cells is reprogramed and PR:PROJECT_SUMMARY shifts towards lipid utilization, which provides energy that facilitates tumor PR:PROJECT_SUMMARY growth and metastasis. Preliminary results suggest that primary human omental PR:PROJECT_SUMMARY adipocytes secrete cytokines which promote the metastasis of OvCa cells to the PR:PROJECT_SUMMARY omentum and their subsequent invasion. Once metastasis has occurred, OvCa cells PR:PROJECT_SUMMARY induce lipolysis in omental adipocytes, and use the energy derived from these PR:PROJECT_SUMMARY lipids to proliferate. To study the metabolic changes in the tumor PR:PROJECT_SUMMARY microenvironment we have established a 3D organotypic culture of the human PR:PROJECT_SUMMARY omentum using primary human cells established from patient tissue. Metabolic PR:PROJECT_SUMMARY studies will be performed on adipocytes and OvCa cells individually, on PR:PROJECT_SUMMARY conditioned media and on adipocytes and OvCa cells co-cultured in our 3D model, PR:PROJECT_SUMMARY with the goal of arriving at a comprehensive analysis of primary metabolites and PR:PROJECT_SUMMARY lipids in the tumor microenvironment. In the current investigation, untargeted PR:PROJECT_SUMMARY analysis of primary metabolites and complex lipids were conducted on adipocytes PR:PROJECT_SUMMARY and OvCa cells individually, on conditioned media and on adipocytes and OvCa PR:PROJECT_SUMMARY cells co-cultured in our 3D model. Analysis of oxylipins was conducted on PR:PROJECT_SUMMARY conditioned media. To gain better understanding of the dynamic regulation of PR:PROJECT_SUMMARY metabolic pathways we will also perform metabolic flux analysis using labeled PR:PROJECT_SUMMARY cells (13C-glucose, 13C-glutamine) in the 3D culture model. The primary PR:PROJECT_SUMMARY objective of this study is to gain insight into the dynamic interactions between PR:PROJECT_SUMMARY OvCa cells and human adipocytes with the anticipation of elucidating targets of PR:PROJECT_SUMMARY therapeutic intervention. PR:INSTITUTE University of California, Davis PR:DEPARTMENT Genome and Biomedical Sciences Facility PR:LABORATORY WCMC Metabolomics Core PR:LAST_NAME Fiehn PR:FIRST_NAME Oliver PR:ADDRESS 1315 Genome and Biomedical Sciences Facility,451 Health Sciences Drive, Davis, PR:ADDRESS CA 95616 PR:EMAIL ofiehn@ucdavis.edu PR:PHONE (530) 754-8258 PR:FUNDING_SOURCE NIH U24DK097154 PR:DOI http://dx.doi.org/10.21228/M82S3K #STUDY ST:STUDY_TITLE A study of changes in lipid metabolism of ovarian cancer cells co-cultured with ST:STUDY_TITLE adipocytes: UPLC-QTRAP MS analysis ST:STUDY_TYPE Timecourse ST:STUDY_SUMMARY The study investigated the interaction between omental adipocytes and OvCa ST:STUDY_SUMMARY cells, as a follow up to preliminary data indicating this leads to reprograming ST:STUDY_SUMMARY of metabolic (especially lipid) profiles in both adipocytes and OvCa cells as ST:STUDY_SUMMARY ovarian cancer cells (OvCa) readily metastasize to the omental fat pad in the ST:STUDY_SUMMARY abdomen and stimulate the release of fatty acids. In order to mimic the ST:STUDY_SUMMARY interaction between OvCa and omental adipocytes during metastasis, a coculture ST:STUDY_SUMMARY system was used that employed OvCa cells and primary human adipocytes isolated ST:STUDY_SUMMARY from omentum. Human primary adipocytes were isolated from omental explants from ST:STUDY_SUMMARY patients undergoing surgery for benign conditions. After surgical removal, ST:STUDY_SUMMARY omental tissue was digested with collagenase I, and primary cultures of ST:STUDY_SUMMARY adipocytes were established, characterized, and incorporated into the ST:STUDY_SUMMARY co-culture. The primary adipocytes were isolated and co-cultured with the OvCa ST:STUDY_SUMMARY cell line Skov3ip1. In this current submission, the the samples will be ST:STUDY_SUMMARY collected at 4, 18 and 24 hour time points post co-culture to determine the time ST:STUDY_SUMMARY dependent effect on lipid mediators, including oxylipins and ceramides. The ST:STUDY_SUMMARY study results included in this DRCC submission were the 18 hour time point data ST:STUDY_SUMMARY for oxylipins and ceramides from targeted metabolomic analysis of lipid ST:STUDY_SUMMARY mediators performed by the Newman lab. ST:INSTITUTE University of California, Davis ST:DEPARTMENT U.S.D.A. Western Human Nutrition Research Center ST:LABORATORY Newman ST:LAST_NAME Newman ST:FIRST_NAME John ST:ADDRESS 430 W. Health Sciences Dr., Davis, CA 95616 ST:EMAIL john.newman@ars.usda.gov ST:PHONE +1-530-752-1009 ST:SUBMIT_DATE 2014-07-24 #SUBJECT SU:SUBJECT_TYPE Human cells SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:CELL_STRAIN_DETAILS SKOV3ip1 SU:SUBJECT_COMMENTS p80, p85, p86, p89 SU:CELL_PASSAGE_NUMBER p80, p85, p86, p89 SU:CELL_COUNTS p80, p85, p86, p89 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 Patient_1218 S29A Sample Type:Adipocyte | Timepoint:18 hours SKOV3ip1 passage=p94; Patient=1218; JWN ID=LNG-22; RAW_FILE_NAME=(Oxylipin data)Lengyal 18 hr Pilot Oxys r-LNG-22.mzML; File name (Ceramide data)=Lengyal 18 hr Pilot Endos-LNG-22.mzML; File name (Endocannabinoid data)=Lengyal 18 hr Pilot Cer-LNG-22.mzML SUBJECT_SAMPLE_FACTORS Patient_1222 S30A Sample Type:Adipocyte | Timepoint:18 hours SKOV3ip1 passage=p96; Patient=1222; JWN ID=LNG-16; RAW_FILE_NAME=(Oxylipin data)Lengyal 18 hr Pilot Oxys r-LNG-16.mzML; File name (Ceramide data)=Lengyal 18 hr Pilot Endos-LNG-16.mzML; File name (Endocannabinoid data)=Lengyal 18 hr Pilot Cer-LNG-16.mzML SUBJECT_SAMPLE_FACTORS Patient_1223 S31A Sample Type:Adipocyte | Timepoint:18 hours SKOV3ip1 passage=p96; Patient=1223; JWN ID=LNG-12; RAW_FILE_NAME=(Oxylipin data)Lengyal 18 hr Pilot Oxys r-LNG-12.mzML; File name (Ceramide data)=Lengyal 18 hr Pilot Endos-LNG-12.mzML; File name (Endocannabinoid data)=Lengyal 18 hr Pilot Cer-LNG-12.mzML SUBJECT_SAMPLE_FACTORS Patient_1229 S32A Sample Type:Adipocyte | Timepoint:18 hours SKOV3ip1 passage=p98; Patient=1229; JWN ID=LNG-17; RAW_FILE_NAME=(Oxylipin data)Lengyal 18 hr Pilot Oxys r-LNG-17.mzML; File name (Ceramide data)=Lengyal 18 hr Pilot Endos-LNG-17.mzML; File name (Endocannabinoid data)=Lengyal 18 hr Pilot Cer-LNG-17.mzML SUBJECT_SAMPLE_FACTORS Patient_1230 S33A Sample Type:Adipocyte | Timepoint:18 hours SKOV3ip1 passage=p81; Patient=1230; JWN ID=LNG-24; RAW_FILE_NAME=(Oxylipin data)Lengyal 18 hr Pilot Oxys r-LNG-24.mzML; File name (Ceramide data)=Lengyal 18 hr Pilot Endos-LNG-24.mzML; File name (Endocannabinoid data)=Lengyal 18 hr Pilot Cer-LNG-24.mzML SUBJECT_SAMPLE_FACTORS Patient_1238 S34A Sample Type:Adipocyte | Timepoint:18 hours SKOV3ip1 passage=p100; Patient=1238; JWN ID=LNG-25; RAW_FILE_NAME=(Oxylipin data)Lengyal 18 hr Pilot Oxys r-LNG-25.mzML; File name (Ceramide data)=Lengyal 18 hr Pilot Endos-LNG-25.mzML; File name (Endocannabinoid data)=Lengyal 18 hr Pilot Cer-LNG-25.mzML SUBJECT_SAMPLE_FACTORS Patient_1237 S35A Sample Type:Adipocyte | Timepoint:18 hours SKOV3ip1 passage=p80; Patient=1237; JWN ID=LNG-15; RAW_FILE_NAME=(Oxylipin data)Lengyal 18 hr Pilot Oxys r-LNG-15.mzML; File name (Ceramide data)=Lengyal 18 hr Pilot Endos-LNG-15.mzML; File name (Endocannabinoid data)=Lengyal 18 hr Pilot Cer-LNG-15.mzML SUBJECT_SAMPLE_FACTORS Patient_1171 S17A Sample Type:Adipocyte | Timepoint:4 hours SKOV3ip1 passage=p80; Patient=#1171; JWN_ID=A4-S17A; RAW_FILE_NAME=Lengyal Pilot Oxys2-A4-S17A.mzML SUBJECT_SAMPLE_FACTORS Patient_1181 S19A Sample Type:Adipocyte | Timepoint:4 hours SKOV3ip1 passage=p86; Patient=#1181; JWN_ID=A7-S19A; RAW_FILE_NAME=Lengyal Pilot Oxys-A7-S19A.mzML SUBJECT_SAMPLE_FACTORS Patient_1182 S20A Sample Type:Adipocyte | Timepoint:4 hours SKOV3ip1 passage=p86; Patient=#1182; JWN_ID=A11-S20A; RAW_FILE_NAME=Lengyal Pilot Oxys2-A11-S20A.mzML SUBJECT_SAMPLE_FACTORS Patient_1193 S23A Sample Type:Adipocyte | Timepoint:4 hours SKOV3ip1 passage=p89; Patient=#1193; JWN_ID=B3-S23A; RAW_FILE_NAME=Lengyal Pilot Oxys2-B3-S23A.mzML SUBJECT_SAMPLE_FACTORS Patient_1194 S24A Sample Type:Adipocyte | Timepoint:4 hours SKOV3ip1 passage=p85; Patient=#1194; JWN_ID=B6-S24A; RAW_FILE_NAME=Lengyal Pilot Oxys-B6-S24A.mzML SUBJECT_SAMPLE_FACTORS Patient_1197 S25A Sample Type:Adipocyte | Timepoint:4 hours SKOV3ip1 passage=p89; Patient=#1197; JWN_ID=B9-S25A; RAW_FILE_NAME=Lengyal Pilot Oxys2-B9-S25A.mzML SUBJECT_SAMPLE_FACTORS Patient_1198 S26A Sample Type:Adipocyte | Timepoint:4 hours SKOV3ip1 passage=p89; Patient=#1198; JWN_ID=B12-S26A; RAW_FILE_NAME=Lengyal Pilot Oxys2-B12-S26A.mzML SUBJECT_SAMPLE_FACTORS Patient_1218 S29C Sample Type:Co-culture | Timepoint:18 hours SKOV3ip1 passage=p94; Patient=1218; JWN ID=LNG-18 LNG-19; RAW_FILE_NAME=(Oxylipin data)Lengyal 18 hr Pilot Oxys r-LNG-18.mzML Lengyal 18 hr Pilot Oxys r-LNG-19.mzML; File name (Ceramide data)=Lengyal 18 hr Pilot Endos-LNG-18.mzML Lengyal 18 hr Pilot Endos-LNG-19.mzML; File name (Endocannabinoid data)=Lengyal 18 hr Pilot Cer-LNG-18.mzML Lengyal 18 hr Pilot Cer-LNG-19.mzML SUBJECT_SAMPLE_FACTORS Patient_1222 S30C Sample Type:Co-culture | Timepoint:18 hours SKOV3ip1 passage=p96; Patient=1222; JWN ID=LNG-14; RAW_FILE_NAME=(Oxylipin data)Lengyal 18 hr Pilot Oxys r-LNG-14.mzML; File name (Ceramide data)=Lengyal 18 hr Pilot Endos-LNG-14.mzML; File name (Endocannabinoid data)=Lengyal 18 hr Pilot Cer-LNG-14.mzML SUBJECT_SAMPLE_FACTORS Patient_1223 S31C Sample Type:Co-culture | Timepoint:18 hours SKOV3ip1 passage=p96; Patient=1223; JWN ID=LNG-21; RAW_FILE_NAME=(Oxylipin data)Lengyal 18 hr Pilot Oxys r-LNG-21.mzML; File name (Ceramide data)=Lengyal 18 hr Pilot Endos-LNG-21.mzML; File name (Endocannabinoid data)=Lengyal 18 hr Pilot Cer-LNG-21.mzML SUBJECT_SAMPLE_FACTORS Patient_1229 S32C Sample Type:Co-culture | Timepoint:18 hours SKOV3ip1 passage=p98; Patient=1229; JWN ID=LNG-28; RAW_FILE_NAME=(Oxylipin data)Lengyal 18 hr Pilot Oxys r-LNG-28.mzML; File name (Ceramide data)=Lengyal 18 hr Pilot Endos-LNG-28.mzML; File name (Endocannabinoid data)=Lengyal 18 hr Pilot Cer-LNG-28.mzML SUBJECT_SAMPLE_FACTORS Patient_1230 S33C Sample Type:Co-culture | Timepoint:18 hours SKOV3ip1 passage=p81; Patient=1230; JWN ID=LNG-9 LNG-10; RAW_FILE_NAME=(Oxylipin data)Lengyal 18 hr Pilot Oxys r-LNG-9.mzML Lengyal 18 hr Pilot Oxys r-LNG-10.mzML; File name (Ceramide data)=Lengyal 18 hr Pilot Endos-LNG-9.mzML Lengyal 18 hr Pilot Endos-LNG-10.mzML; File name (Endocannabinoid data)=Lengyal 18 hr Pilot Cer-LNG-9.mzML Lengyal 18 hr Pilot Cer-LNG-10.mzML SUBJECT_SAMPLE_FACTORS Patient_1238 S34C Sample Type:Co-culture | Timepoint:18 hours SKOV3ip1 passage=p100; Patient=1238; JWN ID=LNG-6; RAW_FILE_NAME=(Oxylipin data)Lengyal 18 hr Pilot Oxys r-LNG-6.mzML; File name (Ceramide data)=Lengyal 18 hr Pilot Endos-LNG-6.mzML; File name (Endocannabinoid data)=Lengyal 18 hr Pilot Cer-LNG-6.mzML SUBJECT_SAMPLE_FACTORS Patient_1237 S35C Sample Type:Co-culture | Timepoint:18 hours SKOV3ip1 passage=p80; Patient=1237; JWN ID=LNG-27; RAW_FILE_NAME=(Oxylipin data)Lengyal 18 hr Pilot Oxys r-LNG-27.mzML; File name (Ceramide data)=Lengyal 18 hr Pilot Endos-LNG-27.mzML; File name (Endocannabinoid data)=Lengyal 18 hr Pilot Cer-LNG-27.mzML SUBJECT_SAMPLE_FACTORS Patient_1171 S17C Sample Type:Co-culture | Timepoint:4 hours SKOV3ip1 passage=p80; Patient=#1171; JWN_ID=A6-S17C; RAW_FILE_NAME=Lengyal Pilot Oxys2-A6-S17C.mzML SUBJECT_SAMPLE_FACTORS Patient_1181 S19C Sample Type:Co-culture | Timepoint:4 hours SKOV3ip1 passage=p86; Patient=#1181; JWN_ID=A9-S19C-1; RAW_FILE_NAME=Lengyal Pilot Oxys-A9-S19C-1.mzML SUBJECT_SAMPLE_FACTORS Patient_1182 S20C Sample Type:Co-culture | Timepoint:4 hours SKOV3ip1 passage=p86; Patient=#1182; JWN_ID=A13-S20C-1; RAW_FILE_NAME=Lengyal Pilot Oxys2-A13-S20-C-1.mzML SUBJECT_SAMPLE_FACTORS Patient_1193 S23C Sample Type:Co-culture | Timepoint:4 hours SKOV3ip1 passage=p89; Patient=#1193; JWN_ID=B5-S23C; RAW_FILE_NAME=Lengyal Pilot Oxys2-B5-S23C.mzML SUBJECT_SAMPLE_FACTORS Patient_1194 S24C Sample Type:Co-culture | Timepoint:4 hours SKOV3ip1 passage=p85; Patient=#1194; JWN_ID=B8-S24C; RAW_FILE_NAME=Lengyal Pilot Oxys-B8-S24C.mzML SUBJECT_SAMPLE_FACTORS Patient_1197 S25C Sample Type:Co-culture | Timepoint:4 hours SKOV3ip1 passage=p89; Patient=#1197; JWN_ID=B11-S25C; RAW_FILE_NAME=Lengyal Pilot Oxys2-B11-S25C.mzML SUBJECT_SAMPLE_FACTORS Patient_1198 S26C Sample Type:Co-culture | Timepoint:4 hours SKOV3ip1 passage=p89; Patient=#1198; JWN_ID=B14-S26C-1; RAW_FILE_NAME=Lengyal Pilot Oxys2-B14-S26C-1.mzML SUBJECT_SAMPLE_FACTORS Patient_1218 S29B Sample Type:Control | Timepoint:18 hours SKOV3ip1 passage=p94; Patient=1218; JWN ID=LNG-20; RAW_FILE_NAME=(Oxylipin data)Lengyal 18 hr Pilot Oxys r-LNG-20.mzML; File name (Ceramide data)=Lengyal 18 hr Pilot Endos-LNG-20.mzML; File name (Endocannabinoid data)=Lengyal 18 hr Pilot Cer-LNG-20.mzML SUBJECT_SAMPLE_FACTORS Patient_1222 S30B Sample Type:Control | Timepoint:18 hours SKOV3ip1 passage=p96; Patient=1222; JWN ID=LNG-23; RAW_FILE_NAME=(Oxylipin data)Lengyal 18 hr Pilot Oxys r-LNG-23.mzML; File name (Ceramide data)=Lengyal 18 hr Pilot Endos-LNG-23.mzML; File name (Endocannabinoid data)=Lengyal 18 hr Pilot Cer-LNG-23.mzML SUBJECT_SAMPLE_FACTORS Patient_1223 S31B Sample Type:Control | Timepoint:18 hours SKOV3ip1 passage=p96; Patient=1223; JWN ID=LNG-13; RAW_FILE_NAME=(Oxylipin data)Lengyal 18 hr Pilot Oxys r-LNG-13.mzML; File name (Ceramide data)=Lengyal 18 hr Pilot Endos-LNG-13.mzML; File name (Endocannabinoid data)=Lengyal 18 hr Pilot Cer-LNG-13.mzML SUBJECT_SAMPLE_FACTORS Patient_1229 S32B Sample Type:Control | Timepoint:18 hours SKOV3ip1 passage=p98; Patient=1229; JWN ID=LNG-26; RAW_FILE_NAME=(Oxylipin data)Lengyal 18 hr Pilot Oxys r-LNG-26.mzML; File name (Ceramide data)=Lengyal 18 hr Pilot Endos-LNG-26.mzML; File name (Endocannabinoid data)=Lengyal 18 hr Pilot Cer-LNG-26.mzML SUBJECT_SAMPLE_FACTORS Patient_1230 S33B Sample Type:Control | Timepoint:18 hours SKOV3ip1 passage=p81; Patient=1230; JWN ID=LNG-11; RAW_FILE_NAME=(Oxylipin data)Lengyal 18 hr Pilot Oxys r-LNG-11.mzML; File name (Ceramide data)=Lengyal 18 hr Pilot Endos-LNG-11.mzML; File name (Endocannabinoid data)=Lengyal 18 hr Pilot Cer-LNG-11.mzML SUBJECT_SAMPLE_FACTORS Patient_1238 S34B Sample Type:Control | Timepoint:18 hours SKOV3ip1 passage=p100; Patient=1238; JWN ID=LNG-7; RAW_FILE_NAME=(Oxylipin data)Lengyal 18 hr Pilot Oxys r-LNG-7.mzML; File name (Ceramide data)=Lengyal 18 hr Pilot Endos-LNG-7.mzML; File name (Endocannabinoid data)=Lengyal 18 hr Pilot Cer-LNG-7.mzML SUBJECT_SAMPLE_FACTORS Patient_1237 S35B Sample Type:Control | Timepoint:18 hours SKOV3ip1 passage=p80; Patient=1237; JWN ID=LNG-8; RAW_FILE_NAME=(Oxylipin data)Lengyal 18 hr Pilot Oxys r-LNG-8.mzML; File name (Ceramide data)=Lengyal 18 hr Pilot Endos-LNG-8.mzML; File name (Endocannabinoid data)=Lengyal 18 hr Pilot Cer-LNG-8.mzML SUBJECT_SAMPLE_FACTORS Patient_1171 S17B Sample Type:Control | Timepoint:4 hours SKOV3ip1 passage=p80; Patient=#1171; JWN_ID=A5-S17B; RAW_FILE_NAME=Lengyal Pilot Oxys-A5-S17B.mzML SUBJECT_SAMPLE_FACTORS Patient_1181 S19B Sample Type:Control | Timepoint:4 hours SKOV3ip1 passage=p86; Patient=#1181; JWN_ID=A8-S19B; RAW_FILE_NAME=Lengyal Pilot Oxys2-A8-S19B.mzML SUBJECT_SAMPLE_FACTORS Patient_1182 S20B Sample Type:Control | Timepoint:4 hours SKOV3ip1 passage=p86; Patient=#1182; JWN_ID=A12-S20B; RAW_FILE_NAME=Lengyal Pilot Oxys2-A12-S20B.mzML SUBJECT_SAMPLE_FACTORS Patient_1193 S23B Sample Type:Control | Timepoint:4 hours SKOV3ip1 passage=p89; Patient=#1193; JWN_ID=B4-S23B; RAW_FILE_NAME=Lengyal Pilot Oxys-B4-S23B.mzML SUBJECT_SAMPLE_FACTORS Patient_1194 S24B Sample Type:Control | Timepoint:4 hours SKOV3ip1 passage=p85; Patient=#1194; JWN_ID=B7-S24B; RAW_FILE_NAME=Lengyal Pilot Oxys2-B7-S24B.mzML SUBJECT_SAMPLE_FACTORS Patient_1197 S25B Sample Type:Control | Timepoint:4 hours SKOV3ip1 passage=p89; Patient=#1197; JWN_ID=B10-S25B; RAW_FILE_NAME=Lengyal Pilot Oxys2-B10-S25B.mzML SUBJECT_SAMPLE_FACTORS Patient_1198 S26B Sample Type:Control | Timepoint:4 hours SKOV3ip1 passage=p89; Patient=#1198; JWN_ID=B13-S26B; RAW_FILE_NAME=Lengyal Pilot Oxys2-B13-S26B.mzML SUBJECT_SAMPLE_FACTORS - Media blank Sample Type:Media blank | Timepoint:4 hours SKOV3ip1 passage=Media blank; Patient=Media blank; JWN_ID=Media blank; RAW_FILE_NAME=Lengyal Pilot Oxys-A3-Blank Med.mzML SUBJECT_SAMPLE_FACTORS - Blank media Sample Type:Media blank | Timepoint:NA SKOV3ip1 passage=-; Patient=-; JWN ID=LNG-3 LNG-4 LNG-5; RAW_FILE_NAME=(Oxylipin data)Lengyal 18 hr Pilot Oxys r-LNG-3.mzML Lengyal 18 hr Pilot Oxys r-LNG-4.mzML Lengyal 18 hr Pilot Oxys r-LNG-5.mzML; File name (Ceramide data)=Lengyal 18 hr Pilot Endos-LNG-3.mzML Lengyal 18 hr Pilot Endos-LNG-4.mzML Lengyal 18 hr Pilot Endos-LNG-5.mzML; File name (Endocannabinoid data)=Lengyal 18 hr Pilot Cer-LNG-3.mzML Lengyal 18 hr Pilot Cer-LNG-4.mzML Lengyal 18 hr Pilot Cer-LNG-5.mzML #COLLECTION CO:COLLECTION_SUMMARY Samples were collected at 18 hours post co-culture CO:COLLECTION_PROTOCOL_FILENAME Newman_Lab_Oxylipin_Extraction_&_Analysis_Protocol_Lengyel_WCMC_P&F_18hr.pdf;Newman_Lab_Ceramide_Extraction_&_Analysis_Protocol_Lengyel_WCMC_P&F_18hr.pdf;Newman_Lab_Enpdfannabinoid_Extraction_&_Analysis_Protocol_Lengyel_WCMC_P&F_18hr.pdf;Newman_Lab_Oxylipin_Extraction_&_Analysis_Protocol_Lengyel_WCMC_P&F_4hr.pdf;Newman_Lab_Ceramide_Extraction_&_Analysis_Protocol_Lengyel_WCMC_P&F_4hr.pdf CO:SAMPLE_TYPE Media CO:STORAGE_CONDITIONS -80 C #TREATMENT TR:TREATMENT_SUMMARY The study investigated the interaction between omental adipocytes and OvCa TR:TREATMENT_SUMMARY cells, as a follow up to preliminary data indicating this leads to reprograming TR:TREATMENT_SUMMARY of metabolic (especially lipid) profiles in both adipocytes and OvCa cells as TR:TREATMENT_SUMMARY ovarian cancer cells (OvCa) readily metastasize to the omental fat pad in the TR:TREATMENT_SUMMARY abdomen and stimulate the release of fatty acids. In order to mimic the TR:TREATMENT_SUMMARY interaction between OvCa and omental adipocytes during metastasis, a coculture TR:TREATMENT_SUMMARY system was used that employed OvCa cells and primary human adipocytes isolated TR:TREATMENT_SUMMARY from omentum. Human primary adipocytes were isolated from omental explants from TR:TREATMENT_SUMMARY patients undergoing surgery for benign conditions. After surgical removal, TR:TREATMENT_SUMMARY omental tissue was digested with collagenase I, and primary cultures of TR:TREATMENT_SUMMARY adipocytes were established, characterized, and incorporated into the TR:TREATMENT_SUMMARY co-culture. The primary adipocytes were isolated and co-cultured with the OvCa TR:TREATMENT_SUMMARY cell line Skov3ip1. In this current submission, the the samples will be TR:TREATMENT_SUMMARY collected at 4, 18 and 24 hour time points post co-culture to determine the time TR:TREATMENT_SUMMARY dependent effect on lipid mediators, including oxylipins and ceramides. The TR:TREATMENT_SUMMARY study results included in this DRCC submission were the 18 hour time point data TR:TREATMENT_SUMMARY for oxylipins and ceramides. TR:TREATMENT_PROTOCOL_FILENAME Newman_Lab_Oxylipin_Extraction_&_Analysis_Protocol_Lengyel_WCMC_P&F_18hr.pdf;Newman_Lab_Ceramide_Extraction_&_Analysis_Protocol_Lengyel_WCMC_P&F_18hr.pdf;Newman_Lab_Enpdfannabinoid_Extraction_&_Analysis_Protocol_Lengyel_WCMC_P&F_18hr.pdf;Newman_Lab_Oxylipin_Extraction_&_Analysis_Protocol_Lengyel_WCMC_P&F_4hr.pdf;Newman_Lab_Ceramide_Extraction_&_Analysis_Protocol_Lengyel_WCMC_P&F_4hr.pdf TR:CELL_STORAGE -80 C #SAMPLEPREP SP:SAMPLEPREP_SUMMARY See sample prep protocol file SP:SAMPLEPREP_PROTOCOL_FILENAME Newman_Lab_Oxylipin_Extraction_&_Analysis_Protocol_Lengyel_WCMC_P&F_18hr.pdf;Newman_Lab_Ceramide_Extraction_&_Analysis_Protocol_Lengyel_WCMC_P&F_18hr.pdf;Newman_Lab_Enpdfannabinoid_Extraction_&_Analysis_Protocol_Lengyel_WCMC_P&F_18hr.pdf;Newman_Lab_Oxylipin_Extraction_&_Analysis_Protocol_Lengyel_WCMC_P&F_4hr.pdf;Newman_Lab_Ceramide_Extraction_&_Analysis_Protocol_Lengyel_WCMC_P&F_4hr.pdf SP:PROCESSING_STORAGE_CONDITIONS - 20 °C SP:EXTRACTION_METHOD SPE SP:EXTRACT_CONCENTRATION_DILUTION 250 µL SP:EXTRACT_CLEANUP SPE SP:EXTRACT_STORAGE - 20 °C SP:SAMPLE_RESUSPENSION 100 µL SP:SAMPLE_SPIKING See sample prep protocol file #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Oxylipin analysis CH:METHODS_FILENAME Newman_Lab_Oxylipin_Extraction_&_Analysis_Protocol_Lengyel_WCMC_P&F_18hr.pdf;Newman_Lab_Oxylipin_Extraction_&_Analysis_Protocol_Lengyel_WCMC_P&F_4hr.pdf CH:COLUMN_TEMPERATURE 60 C CH:FLOW_GRADIENT See protocol/methods file CH:FLOW_RATE 0.25 CH:INTERNAL_STANDARD See protocol/methods file CH:RETENTION_TIME See protocol/methods file CH:SAMPLE_INJECTION 5 L CH:SOLVENT_A 100% water; 0.1% acetic acid CH:SOLVENT_B 90% acetonitrile/ 10% isopropanol CH:ANALYTICAL_TIME 16 min CH:WEAK_WASH_SOLVENT_NAME 20% methanol, 10% isopropanol CH:WEAK_WASH_VOLUME 600 L CH:STRONG_WASH_SOLVENT_NAME 50:50 Acetonitrile:Methanol CH:STRONG_WASH_VOLUME 600 L CH:SAMPLE_LOOP_SIZE 17 L #ANALYSIS AN:LABORATORY_NAME Newman AN:ANALYSIS_TYPE MS AN:ANALYSIS_COMMENTS Oxylipins analysis AN:ACQUISITION_DATE 41732 AN:ACQUISITION_TIME 16 min AN:SOFTWARE_VERSION AB Sciex Analyst version 1.6.2 AN:OPERATOR_NAME Michael La Frano AN:DETECTOR_TYPE API 4000 QTrap (AB Sciex, Framingham, MA, USA) AN:DATA_FORMAT .mzML #MS MS:INSTRUMENT_NAME ABI Sciex API 4000 QTrap MS:INSTRUMENT_TYPE Triple quadrupole MS:MS_TYPE ESI MS:MS_COMMENTS Oxylipins analysis MS:ION_MODE NEGATIVE MS:ION_SOURCE_TEMPERATURE See protocol/methods file MS:ION_SPRAY_VOLTAGE See protocol/methods file #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS nM MS_METABOLITE_DATA_START Samples S29A S29A S29A S30A S30A S30A S31A S31A S31A S32A S32A S32A S33A S33A S33A S34A S34A S34A S35A S35A S35A S17A S17A S17A S19A S19A S19A S20A S20A S20A S23A S23A S23A S24A S24A S24A S25A S25A S25A S26A S26A S26A S29C S29C S29C S30C S30C S30C S31C S31C S31C S32C S32C S32C S33C S33C S33C S34C S34C S34C S35C S35C S35C S17C S17C S17C S19C S19C S19C S20C S20C S20C S23C S23C S23C S24C S24C S24C S25C S25C S25C S26C S26C S26C S29B S29B S29B S30B S30B S30B S31B S31B S31B S32B S32B S32B S33B S33B S33B S34B S34B S34B S35B S35B S35B S17B S17B S17B S19B S19B S19B S20B S20B S20B S23B S23B S23B S24B S24B S24B S25B S25B S25B S26B S26B S26B Media blank Media blank Media blank Blank media Blank media Blank media Factors Sample Type:Adipocyte | Timepoint:18 hours Sample Type:Adipocyte | Timepoint:18 hours Sample Type:Adipocyte | Timepoint:18 hours Sample Type:Adipocyte | Timepoint:18 hours Sample Type:Adipocyte | Timepoint:18 hours Sample Type:Adipocyte | Timepoint:18 hours Sample Type:Adipocyte | Timepoint:18 hours Sample Type:Adipocyte | Timepoint:18 hours Sample Type:Adipocyte | Timepoint:18 hours Sample Type:Adipocyte | Timepoint:18 hours Sample Type:Adipocyte | Timepoint:18 hours Sample Type:Adipocyte | Timepoint:18 hours Sample Type:Adipocyte | Timepoint:18 hours Sample Type:Adipocyte | Timepoint:18 hours Sample Type:Adipocyte | Timepoint:18 hours Sample Type:Adipocyte | Timepoint:18 hours Sample Type:Adipocyte | Timepoint:18 hours Sample Type:Adipocyte | Timepoint:18 hours Sample Type:Adipocyte | Timepoint:18 hours Sample Type:Adipocyte | Timepoint:18 hours Sample Type:Adipocyte | Timepoint:18 hours Sample Type:Adipocyte | Timepoint:4 hours Sample Type:Adipocyte | Timepoint:4 hours Sample Type:Adipocyte | Timepoint:4 hours Sample Type:Adipocyte | Timepoint:4 hours Sample Type:Adipocyte | Timepoint:4 hours Sample Type:Adipocyte | Timepoint:4 hours Sample Type:Adipocyte | Timepoint:4 hours Sample Type:Adipocyte | Timepoint:4 hours Sample Type:Adipocyte | Timepoint:4 hours Sample Type:Adipocyte | Timepoint:4 hours Sample Type:Adipocyte | Timepoint:4 hours Sample Type:Adipocyte | Timepoint:4 hours Sample Type:Adipocyte | Timepoint:4 hours Sample Type:Adipocyte | Timepoint:4 hours Sample Type:Adipocyte | Timepoint:4 hours Sample Type:Adipocyte | Timepoint:4 hours Sample Type:Adipocyte | Timepoint:4 hours Sample Type:Adipocyte | Timepoint:4 hours Sample Type:Adipocyte | Timepoint:4 hours Sample Type:Adipocyte | Timepoint:4 hours Sample Type:Adipocyte | Timepoint:4 hours Sample Type:Co-culture | Timepoint:18 hours Sample Type:Co-culture | Timepoint:18 hours Sample Type:Co-culture | Timepoint:18 hours Sample Type:Co-culture | Timepoint:18 hours Sample Type:Co-culture | Timepoint:18 hours Sample Type:Co-culture | Timepoint:18 hours Sample Type:Co-culture | Timepoint:18 hours Sample Type:Co-culture | Timepoint:18 hours Sample Type:Co-culture | Timepoint:18 hours Sample Type:Co-culture | Timepoint:18 hours Sample Type:Co-culture | Timepoint:18 hours Sample Type:Co-culture | Timepoint:18 hours Sample Type:Co-culture | Timepoint:18 hours Sample Type:Co-culture | Timepoint:18 hours Sample Type:Co-culture | Timepoint:18 hours Sample Type:Co-culture | Timepoint:18 hours Sample Type:Co-culture | Timepoint:18 hours Sample Type:Co-culture | Timepoint:18 hours Sample Type:Co-culture | Timepoint:18 hours Sample Type:Co-culture | Timepoint:18 hours Sample Type:Co-culture | Timepoint:18 hours Sample Type:Co-culture | Timepoint:4 hours Sample Type:Co-culture | Timepoint:4 hours Sample Type:Co-culture | Timepoint:4 hours Sample Type:Co-culture | Timepoint:4 hours Sample Type:Co-culture | Timepoint:4 hours Sample Type:Co-culture | Timepoint:4 hours Sample Type:Co-culture | Timepoint:4 hours Sample Type:Co-culture | Timepoint:4 hours Sample Type:Co-culture | Timepoint:4 hours Sample Type:Co-culture | Timepoint:4 hours Sample Type:Co-culture | Timepoint:4 hours Sample Type:Co-culture | Timepoint:4 hours Sample Type:Co-culture | Timepoint:4 hours Sample Type:Co-culture | Timepoint:4 hours Sample Type:Co-culture | Timepoint:4 hours Sample Type:Co-culture | Timepoint:4 hours Sample Type:Co-culture | Timepoint:4 hours Sample Type:Co-culture | Timepoint:4 hours Sample Type:Co-culture | Timepoint:4 hours Sample Type:Co-culture | Timepoint:4 hours Sample Type:Co-culture | Timepoint:4 hours Sample Type:Control | Timepoint:18 hours Sample Type:Control | Timepoint:18 hours Sample Type:Control | Timepoint:18 hours Sample Type:Control | Timepoint:18 hours Sample Type:Control | Timepoint:18 hours Sample Type:Control | Timepoint:18 hours Sample Type:Control | Timepoint:18 hours Sample Type:Control | Timepoint:18 hours Sample Type:Control | Timepoint:18 hours Sample Type:Control | Timepoint:18 hours Sample Type:Control | Timepoint:18 hours Sample Type:Control | Timepoint:18 hours Sample Type:Control | Timepoint:18 hours Sample Type:Control | Timepoint:18 hours Sample Type:Control | Timepoint:18 hours Sample Type:Control | Timepoint:18 hours Sample Type:Control | Timepoint:18 hours Sample Type:Control | Timepoint:18 hours Sample Type:Control | Timepoint:18 hours Sample Type:Control | Timepoint:18 hours Sample Type:Control | Timepoint:18 hours Sample Type:Control | Timepoint:4 hours Sample Type:Control | Timepoint:4 hours Sample Type:Control | Timepoint:4 hours Sample Type:Control | Timepoint:4 hours Sample Type:Control | Timepoint:4 hours Sample Type:Control | Timepoint:4 hours Sample Type:Control | Timepoint:4 hours Sample Type:Control | Timepoint:4 hours Sample Type:Control | Timepoint:4 hours Sample Type:Control | Timepoint:4 hours Sample Type:Control | Timepoint:4 hours Sample Type:Control | Timepoint:4 hours Sample Type:Control | Timepoint:4 hours Sample Type:Control | Timepoint:4 hours Sample Type:Control | Timepoint:4 hours Sample Type:Control | Timepoint:4 hours Sample Type:Control | Timepoint:4 hours Sample Type:Control | Timepoint:4 hours Sample Type:Control | Timepoint:4 hours Sample Type:Control | Timepoint:4 hours Sample Type:Control | Timepoint:4 hours Sample Type:Media blank | Timepoint:4 hours Sample Type:Media blank | Timepoint:4 hours Sample Type:Media blank | Timepoint:4 hours Sample Type:Media blank | Timepoint:NA Sample Type:Media blank | Timepoint:NA Sample Type:Media blank | Timepoint:NA 11_12_15-THET 2.9200 1.2300 3.1000 0.9960 0.8760 2.9100 0.9720 2.9700 2.9200 6.6400 2.4800 2.0700 4.7600 2.8800 0.2240 0.1010 0.1090 0.1460 0.2970 0.2220 0.1090 0.0528 11_12-DiHETrE 0.2110 0.0988 0.2640 0.1210 0.1180 0.2700 0.1600 0.0928 0.0844 0.4360 0.1100 0.0644 0.1090 0.2590 0.0106 0.0095 0.0083 0.0070 0.0133 0.0152 0.0298 0.0048 11(12)-EpETE 11(12)-EpETrE 0.0194 0.2230 0.1590 0.2320 0.0312 0.2540 0.1160 0.1144 0.6480 0.0093 0.0760 0.1472 0.1952 0.0126 0.0322 0.1010 0.0031 0.0316 0.0150 0.0234 0.1880 0.2420 0.0273 0.0028 0.0357 0.1076 0.0280 0.0060 0.0178 0.0031 0.0065 0.0033 0.0056 0.0014 0.1144 0.0568 0.0728 0.1204 0.0061 0.0394 0.0556 0.0108 11-HETE 0.1830 0.3740 0.7520 0.3860 0.1700 1.2200 0.4680 0.0648 0.9760 0.0010 0.1828 0.2040 0.4040 0.0428 0.0896 0.0596 0.4160 0.0508 0.0378 0.0816 0.0832 0.5200 0.7066 0.0164 0.0496 0.1124 0.3656 0.0644 0.0193 0.0136 0.0202 0.0113 0.0186 0.0179 0.0133 0.1588 0.2916 0.2304 0.1644 0.5040 0.1672 0.3340 0.2608 0.0277 12_13-DiHODE 12_13-DiHOME 0.1760 0.3470 4.9600 1.2800 0.7040 1.3200 0.7200 0.2804 0.4840 0.0848 0.3648 0.6080 0.4120 0.1016 0.2450 0.1710 1.3900 0.1480 0.1800 0.1910 0.3660 0.1932 0.3620 0.0406 0.1000 0.2180 0.3536 0.1106 0.0225 0.0284 0.0222 0.0432 0.0300 0.4600 0.0162 0.0476 0.5520 0.0424 0.0436 0.1676 0.0480 0.1384 0.0308 0.0606 12(13)-Ep-9-KODE 4.2800 4.6000 8.0800 2.3600 4.8400 5.6400 2.9900 0.7480 1.6760 0.3080 0.7360 1.2760 1.8520 1.8080 3.4700 1.5300 5.3600 0.7640 2.0000 3.8500 2.2200 0.2884 1.4960 0.7080 1.1480 1.0160 2.5240 1.7360 0.1500 0.0632 0.2670 0.1150 0.1880 0.3690 0.1220 0.1768 0.2492 0.4320 0.1820 0.3980 0.1628 0.5760 0.1460 0.1040 12(13)-EpODE 0.0153 0.0204 0.5600 0.1330 0.0212 0.1250 0.0385 0.0128 0.0144 0.0756 0.0047 0.0077 0.0005 0.0221 0.0074 0.0081 0.0058 0.0032 0.0024 0.0004 0.0004 0.0008 12(13)-EpOME 0.3160 0.8320 8.4000 3.0800 0.8640 2.4500 1.1000 1.0240 3.3880 0.0988 0.6640 1.5840 1.9080 0.2148 0.1990 0.1500 1.8500 0.1800 0.1010 0.2090 0.1010 0.5120 0.9580 0.1382 0.2888 0.1180 0.4920 0.1778 0.0174 0.1170 0.0892 0.0134 0.0179 0.3670 0.0120 0.1836 0.1232 0.2704 0.0416 0.2532 0.0752 0.2148 0.1276 0.0770 12-HEPE 0.0620 0.1960 0.3140 0.1120 0.0780 0.1710 0.1040 0.0608 0.0788 0.1940 0.0572 0.0614 0.0860 0.0668 0.0692 0.0628 0.0664 0.0672 0.0608 0.0640 0.0612 0.0711 12-HETE 0.1200 0.9560 4.1600 0.9720 0.1990 3.0000 1.6700 2.0320 15.1200 0.2132 1.6280 1.0280 2.4120 0.0852 0.1390 0.1410 2.8000 0.2300 0.1770 0.2900 0.4280 1.9240 9.3200 0.0802 0.3920 0.2692 1.4560 0.1462 0.0852 0.0464 0.0844 0.0154 0.1050 0.0756 0.0964 0.2856 0.6680 0.3864 0.2900 0.4960 0.2644 0.9440 0.3012 0.0053 12-HpETE 1.8100 15.0000 12.8000 18.4000 4.9000 8.2000 10.2000 52.8000 115.6000 38.3200 75.2000 108.0000 60.4000 36.6800 3.6300 6.3800 2.8700 0.0336 0.0960 2.3800 2.2800 154.4000 137.0000 27.6200 90.4000 91.6000 10.2000 119.6000 3.3300 0.0150 2.7100 86.8000 70.8000 91.2000 7.4800 11.1200 123.2000 130.8000 0.9400 4.9400 13-HODE 6.7600 15.8000 150.0000 22.4000 9.0800 48.0000 19.9000 9.7200 165.6000 2.1120 18.7600 9.2400 58.0000 4.9600 3.7600 3.5900 23.1000 2.3100 2.5200 4.5600 4.8800 6.1200 85.8000 1.7620 3.9360 4.6800 20.7600 2.1800 0.6400 0.2500 0.2660 0.9040 0.0299 0.1950 0.3520 3.4960 1.6440 2.7200 2.1120 3.1280 2.7440 7.4000 2.6360 1.8300 13-HOTE 0.0588 0.3540 8.2400 0.3730 0.2120 1.2800 0.3550 0.0369 0.0363 0.9440 0.0382 0.0960 0.0980 0.0560 0.0356 0.0106 0.0684 0.0389 0.0051 0.0059 0.0360 0.0582 13-HpODE 2.0800 4.8100 24.5000 29.8000 3.0700 9.7100 8.2600 436.0000 1072.0000 61.6000 254.4000 372.0000 400.0000 100.4000 0.7830 2.5900 6.0700 0.3330 0.8150 0.4550 0.9360 116.4000 222.4000 102.4000 74.8000 364.4000 492.0000 87.0400 0.9650 0.7280 0.7570 0.8380 0.7920 0.2450 0.7050 59.6000 217.2000 112.0000 97.6000 155.6000 98.0000 101.2000 16.1600 0.7430 13-KODE 2.5500 3.1600 10.2000 2.3100 1.6400 4.3200 1.3000 0.3452 4.3200 0.1416 1.0720 0.9640 1.6920 0.4080 0.6220 1.1900 2.5600 0.5520 0.6340 0.9480 0.5440 0.1476 1.2880 0.4322 0.8240 0.7880 0.4960 0.3132 0.0836 0.0082 0.1530 0.0800 0.0312 0.2540 0.5000 0.4920 0.2496 0.1968 0.5080 0.2912 0.4040 0.6840 0.1972 0.3790 14_15-DiHETE 0.0584 0.3430 0.2960 0.1160 0.0880 0.2100 0.1220 0.1280 0.1070 0.5040 0.0988 0.0382 0.2080 0.0876 0.1070 0.0536 0.0198 0.0381 0.0708 0.1320 0.0277 0.1100 14_15-DiHETrE 0.0488 0.1040 0.3670 0.1630 0.0776 0.2600 0.1860 0.0287 0.0560 0.5960 0.0500 0.0285 0.0700 0.1080 0.0043 0.0107 0.0069 0.0020 14(15)-EpETE 0.0532 0.0492 0.0282 0.0492 0.0295 0.0269 0.0285 0.0935 0.0322 0.0816 0.0274 0.1320 0.0264 0.0346 0.0372 0.1490 0.0568 0.0096 0.1150 0.0748 0.1280 0.0615 14(15)-EpETrE 0.0924 0.0816 0.0612 0.1320 0.0306 0.0092 14-HDoHE 0.0293 0.2500 0.8640 0.2830 0.0528 0.2100 0.1930 0.0562 0.0576 0.1780 0.0824 0.0542 0.0776 0.0358 0.0310 0.0636 0.0351 0.0736 0.0332 0.0604 0.0744 0.0505 15_16-DiHODE 0.4120 0.7120 7.4400 1.9900 3.6400 1.7800 2.1000 0.2700 0.2160 8.5600 0.2560 0.6900 0.4240 1.2900 0.0992 0.0282 0.0018 0.0532 0.0369 0.0684 0.0840 0.0298 15(16)-EpODE 0.0091 0.0540 2.0400 0.6960 0.1600 0.3850 0.1500 0.0250 0.0270 0.3180 0.0278 0.0213 0.0052 0.0330 0.0015 0.0180 0.0046 0.0083 0.0035 0.0105 15-deoxy PGJ2 0.1120 0.0251 0.0600 0.0343 0.0436 0.0804 0.0496 0.1540 0.0239 0.1510 0.1220 0.0734 0.1280 0.0820 0.0492 0.0448 0.0373 0.0408 0.0480 0.0181 0.0240 0.0228 15-HEPE 0.1020 0.4480 0.6120 0.2610 0.1280 0.3770 0.1740 0.0528 1.5400 0.0150 0.1656 0.1332 0.3204 0.0981 0.1630 0.2420 0.1250 0.1320 0.1080 0.1340 0.2812 1.7460 0.0355 0.0404 0.1184 0.3268 0.0594 0.1020 0.1120 0.1330 0.0984 0.1140 0.1060 0.1020 0.0844 0.0720 0.0524 0.0584 0.1888 0.0536 0.1584 0.0375 0.1000 15-HETE 0.4080 2.3300 7.0000 4.6000 0.8400 7.9200 2.2900 1.9680 39.9200 0.6400 4.6400 1.8360 8.6800 0.4520 0.3100 0.2090 1.4200 0.1860 0.0879 0.3850 0.3940 1.5080 16.4000 0.1498 0.6840 0.3192 2.0840 0.2036 0.0369 0.0496 0.0444 0.0496 0.0460 0.0314 0.0440 0.2432 0.3160 0.4240 0.1796 0.6480 0.3108 0.7760 0.2464 0.0411 15-HETrE 0.1060 0.6600 8.3600 1.5800 0.5080 4.3200 1.1700 0.1712 4.2800 0.1472 1.3480 0.6320 1.2440 0.1744 0.0751 0.1370 1.8500 0.1840 0.1160 0.3560 0.3880 0.3132 2.3560 0.1070 0.3280 0.2200 0.7360 0.1592 0.0432 0.0318 0.0353 0.0159 0.0051 0.0134 0.0764 0.1788 0.1796 0.0608 0.3200 0.2276 0.2044 0.1008 0.0162 15-HpETE 3.1200 11.5000 3.5300 16.3000 2.5900 19.8000 4.8500 484.0000 612.0000 92.0000 122.0000 263.6000 536.0000 107.2000 3.4500 3.7300 5.6200 1.5200 1.9500 4.1500 3.2600 207.6000 254.6000 77.8000 40.8000 60.0000 209.6000 92.8000 0.2840 5.5300 0.7200 1.3700 2.0500 1.9300 1.2800 99.6000 137.6000 180.8000 64.0000 80.8000 89.2000 242.8000 1.3800 15-KETE 0.1510 0.3320 0.2950 0.2650 0.1650 0.3310 0.2980 0.1950 0.1640 0.1140 0.1450 0.1000 0.0325 0.1560 0.0644 0.0644 0.1870 0.1780 0.0098 0.0692 0.0025 16(17)-EpDPE 17_18-DiHETE 0.2650 0.2880 0.3640 0.2530 0.2270 0.1540 0.0932 0.1200 0.7200 1.2500 0.5720 0.4880 0.3950 0.5720 0.5200 0.3190 0.3520 0.2260 0.2470 0.3060 0.3430 0.0894 17(18)-EpETE 17-HDoHE 0.6240 0.9840 0.4480 0.0880 0.8760 0.1350 0.0428 0.0928 0.0165 0.0800 0.0304 0.0197 0.0272 0.0342 0.0216 0.0084 0.0552 19_20-DiHDoPA 0.0317 0.0332 0.0484 0.0249 0.0397 0.0385 0.0238 0.0239 0.0576 0.0976 0.0468 0.0438 0.0460 0.0744 0.0444 0.0456 0.0302 0.0300 0.0408 0.0416 0.0344 0.0103 19(20)-EpDPE 20-carboxy-LTB4 20-HETE 20-hydroxy-LTB4 4-HDoHE 0.2472 0.1396 0.0992 0.2728 0.0524 0.2748 0.0908 0.5960 0.3780 0.1402 0.3056 0.0177 0.8560 0.0928 0.1916 0.4040 0.1844 0.2476 1.3480 0.8000 0.5320 0.5680 5_15-DiHETE 0.0472 0.0512 0.1220 0.0860 0.0424 0.1700 0.0680 0.0334 0.0284 0.0772 0.0166 0.0185 0.0303 0.0220 0.0266 0.0090 0.0246 0.0120 0.0162 5_6-DiHETrE 0.0448 0.1470 0.1800 0.1240 0.0444 0.1870 0.1410 0.0030 0.0068 0.0366 0.0044 0.0073 0.0093 0.0028 0.0041 0.0010 5-HEPE 0.1320 0.6480 0.1420 0.3600 0.2260 0.2780 0.3590 0.0596 0.0876 0.1030 0.0608 0.0740 0.0884 0.0724 0.0516 0.0752 0.0660 0.0404 0.0444 0.0656 0.0381 0.3140 5-HETE 1.0600 2.3900 2.1600 3.5000 1.5900 5.2000 4.6000 0.5520 1.4280 0.1936 1.5360 0.5400 1.5280 0.2416 0.2600 0.2850 0.5880 0.2340 0.2070 0.4960 0.5400 2.3880 1.8740 0.1848 0.2348 0.2204 1.9240 0.3384 0.0828 0.0828 0.1280 0.1040 0.1260 0.1700 0.1280 0.8720 1.8560 1.4120 1.3360 3.7320 1.0520 1.2880 3.5960 1.1400 5-HpETE 5.1600 1.7000 3.0900 5.0800 3.8700 6.2300 3.5000 4.5000 7.6200 4.1000 4.8700 3.7400 6.3300 2.1900 2.4400 7.0900 5.6700 1.8800 6.7600 4.4900 3.9500 5.7400 5-KETE 0.2400 0.6600 0.3820 0.3320 0.1850 0.7560 0.5160 0.0374 0.4440 0.0828 0.1808 0.1344 0.3584 0.1004 0.0668 0.0588 0.2080 0.0408 0.0024 0.0564 0.0660 0.4160 0.3448 0.0638 0.0684 0.0964 0.4400 0.0786 0.0043 0.0146 0.0037 0.0048 0.0162 0.0184 0.0812 0.3336 0.2932 0.1772 0.5560 0.2908 0.2104 0.2720 0.0364 6-keto PGF1a 2.0400 0.2490 2.9000 0.2640 4.2000 0.3580 0.0760 1.2960 0.1804 0.4080 1.4040 0.3580 1.3400 4.8600 0.4080 7.5600 0.0696 0.4840 3.8500 0.7480 0.0528 0.9620 0.1388 0.8520 1.5440 1.0360 1.0080 0.0331 0.1688 0.1224 0.0028 0.0302 0.1620 0.1272 0.0768 6-trans-LTB4 0.1850 0.2030 0.1950 0.1860 0.1470 0.1320 0.1920 0.1500 0.1750 0.1500 0.1280 0.1410 0.1650 0.1480 0.1520 0.1450 0.1320 0.1380 0.1390 0.1540 0.1360 0.1530 8_15-DiHETE 8_9-DiHETrE 0.0400 0.0448 0.2800 0.1140 0.0223 0.1800 0.1040 0.0188 0.0347 0.0888 0.0544 0.0388 0.0247 0.0379 0.0152 0.0033 0.0504 0.0044 0.0037 8(9)-EpETrE 0.0350 0.0732 0.0376 0.0628 0.0452 0.0778 0.1750 0.2170 0.0079 0.1690 0.1790 0.0536 0.0398 0.0099 0.1160 8-HETE 0.2740 0.2380 0.5600 0.3270 0.0852 0.6440 0.3840 0.0225 0.3204 0.0592 0.0644 0.1312 0.2372 0.0452 0.0085 0.0221 0.4880 0.0562 0.0130 0.2020 0.6320 0.6906 0.0720 0.0548 0.1316 0.5200 0.1326 0.0291 0.0265 0.0069 0.0089 0.0212 0.0668 0.5000 0.3444 0.1416 0.7440 0.0868 0.4080 0.2216 0.0155 9_10-13-TriHOME 50.8000 16.0000 64.4000 13.3000 43.6000 72.4000 33.4000 0.9760 2.9360 1.0640 5.9600 5.9600 3.0960 14.2000 93.0000 114.0000 235.0000 74.0000 126.0000 188.0000 180.0000 1.1760 12.1800 3.2240 22.3600 13.3200 57.6000 24.0400 1.7100 2.8000 2.9700 3.0400 3.4500 2.4400 2.7300 0.6480 1.1520 1.1000 0.9760 1.5840 1.9240 2.6960 0.2336 0.3830 9_10-DiHODE 0.0179 0.0247 0.3040 0.0524 0.0488 0.0648 0.0584 0.0151 0.0028 0.0688 0.0062 0.0113 0.0129 0.0101 0.0040 0.0072 0.0105 0.0025 0.0047 0.0082 0.0062 0.0069 9_10-DiHOME 2.9700 4.3200 31.7000 9.0000 9.7200 13.0000 8.1200 2.7360 8.3200 0.6080 3.6920 5.6000 2.1560 1.3160 2.2200 1.5900 8.9200 0.8640 1.5700 1.7400 2.4300 1.1120 2.1200 0.4132 0.9960 0.9760 1.3960 0.6440 0.4040 0.2460 0.1980 0.2600 0.3270 5.3200 0.2970 0.5360 0.3868 0.4200 0.2524 0.3800 0.1208 1.3880 0.2336 0.3270 9(10)-EpODE 0.0444 0.1040 2.0100 0.5200 0.1060 0.3920 0.1460 0.0359 0.0258 0.3180 0.0319 0.0198 0.0217 0.0210 0.0174 0.0084 0.0231 0.0154 0.0258 0.0135 0.0173 0.0173 9(10)-EpOME 0.2390 0.6280 7.5200 2.2800 0.6000 2.2200 0.8280 1.0840 2.7480 0.1196 0.5280 1.2800 1.8880 0.1740 0.2040 0.1730 1.2500 0.1260 0.1560 0.1040 0.1760 0.4680 0.7440 0.1768 0.1288 0.1324 0.3900 0.0872 0.0044 0.0289 0.0212 0.0644 0.0256 0.3240 0.0416 0.1224 0.1780 0.1868 0.0172 0.2728 0.1880 0.0572 0.0780 0.0497 9_12_13-TriHOME 13.7000 5.0000 17.8000 3.7900 12.8000 18.9000 9.3200 0.5360 0.9160 0.5160 2.1000 2.0160 0.9360 4.2400 26.1000 30.2000 61.6000 19.2000 32.6000 46.0000 45.2000 0.6720 2.8580 0.9680 6.6000 3.4200 12.9600 6.5800 0.5240 0.7800 0.7440 0.8360 0.8840 0.7280 0.6880 0.2196 0.4600 0.3552 0.2308 0.4360 0.4880 0.7840 0.0492 0.0989 9-HEPE 9-HETE 0.0880 0.1120 0.2240 0.1380 0.0716 0.3170 0.2250 0.0420 0.2364 0.1388 0.0468 0.1056 0.2656 0.0680 0.0266 0.0324 0.0282 0.0540 0.0368 0.0640 0.0680 1.0880 0.7290 0.0708 0.0154 0.0728 0.5880 0.1854 0.0092 0.0316 0.0311 0.0175 0.0464 0.0436 0.0448 0.1216 0.5800 0.4600 0.2268 1.3080 0.2896 0.4440 0.4120 0.0394 9-HODE 3.6700 7.5600 45.6000 8.2400 4.7600 17.2000 7.9600 1.3080 10.5600 0.8600 2.4360 2.6240 8.6400 1.9840 0.9610 0.0252 2.9800 0.1570 0.2230 0.4760 0.8240 0.9080 3.3720 0.6282 0.7560 1.1120 1.7240 0.7758 0.0428 0.2000 1.3720 1.1400 1.4480 0.9480 1.1120 0.9000 2.3600 1.3280 0.3510 9-HOTE 0.0432 0.1770 2.6400 0.3480 0.1620 0.4240 0.2130 0.0328 0.0140 0.1460 0.0312 0.0175 0.0337 0.0181 0.0032 0.0135 0.0003 0.0242 9-HpODE 1.5300 5.3100 29.9000 29.6000 3.1700 11.0000 8.2400 1560.0000 3192.0000 239.2000 1028.0000 1384.0000 2460.0000 323.2000 0.9280 0.9490 6.4100 0.7750 0.3530 0.1560 0.9290 365.6000 824.0000 153.9480 456.0000 234.4000 616.0000 206.0000 0.0412 0.1300 0.4210 0.0283 0.1250 203.6000 93.6000 397.6000 192.8000 155.2000 120.0000 324.4000 2.3880 9-KODE 2.5000 4.2400 10.8000 3.2500 2.1300 5.5600 3.1200 0.5880 3.0600 0.3368 0.9200 1.5280 1.6760 0.9920 0.7460 0.5720 2.3500 0.1500 0.4800 0.4960 0.7000 0.2288 1.6380 0.2220 0.4400 0.4320 0.6560 0.5240 0.0408 0.1480 0.0275 0.1030 0.1530 0.1460 0.0054 0.2552 0.3112 0.2920 0.0624 0.4400 0.1328 0.9520 0.1380 0.3030 Lipoxin A4 2.6300 1.2500 1.2200 2.5000 2.0200 4.6000 5.1600 0.6440 0.3290 0.8480 0.3250 0.3730 1.1100 1.9600 0.0456 0.0860 0.0904 0.0860 0.1070 0.0640 0.0704 0.3040 LTB4 LTB5 PGD2 0.9360 0.2070 0.7760 0.3200 0.2980 1.2600 0.5480 0.0242 0.2568 0.0214 0.0944 0.1336 0.0242 0.1384 3.1600 1.0400 2.4500 1.5900 1.7400 3.2600 1.9800 0.0416 0.2062 0.0742 0.2648 0.2436 0.5080 0.3142 0.1900 0.2940 0.3230 0.3540 0.5040 0.2900 0.1880 0.0400 0.0181 0.0944 0.0684 0.0980 0.1884 0.1156 0.0026 0.0511 PGE1 0.2600 0.0836 0.5320 0.0636 0.1240 0.3600 0.1410 0.4600 0.2170 1.2900 0.2330 0.3490 0.5200 0.3000 0.0250 0.1060 0.0956 0.1150 0.1460 0.0976 0.0840 0.0138 PGE2 2.4300 0.9560 3.1000 0.3220 0.3960 2.4200 0.3460 0.2520 0.8680 0.3420 0.3600 0.2956 0.4280 0.4400 5.7200 0.9680 7.9200 0.4480 0.7200 1.8400 0.8000 0.2680 0.6440 0.3510 0.4760 0.3824 0.5760 0.4480 0.3960 0.3710 0.3970 0.3540 0.3810 0.4040 0.3400 0.1508 0.3100 0.2032 0.1676 0.3668 0.3132 0.2160 0.2048 0.4270 PGE3 0.0107 0.0188 0.0215 0.0144 0.0094 0.0275 0.0156 0.0206 0.0700 0.0394 0.0748 0.0634 0.0508 0.0520 0.0090 0.0448 0.0336 0.0344 0.0420 0.0280 0.0087 0.0019 PGF2a 0.9840 2.2200 1.1800 0.2120 0.3100 2.4800 0.5040 0.0580 0.1632 0.0520 0.1408 0.1304 0.0740 0.0508 1.4100 0.5840 1.6000 0.4680 0.4530 0.8360 0.6760 0.0844 0.2048 0.0351 0.0416 0.2016 0.1256 0.1386 0.1220 0.1300 0.1240 0.0708 0.2440 0.0640 0.0972 0.0302 0.0456 0.0278 0.0648 0.1228 0.0084 0.0566 PGJ2/ d 12-PGJ2 0.1550 0.0756 0.1550 0.1240 0.1040 0.2930 0.1590 0.1160 0.1240 0.1840 0.0924 0.1320 0.2680 0.1320 0.0468 0.0456 0.0484 0.0928 0.0552 0.0836 0.1020 0.0869 Resolvin D1 Resolvin E1 TXB2 0.3620 0.1560 1.1300 0.0308 0.1380 0.5880 0.1400 0.5160 0.2130 1.5600 0.1280 0.1670 0.5080 0.2460 0.0217 0.0161 0.0202 0.0256 0.0079 0.0306 0.0393 0.0117 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 11,12,15-THET 11,12-DiHETrE 5283146 C14774 HMDB02314 UCDavis_Newman_ID 11(12)-EpETE 16061087 11(12)-EpETrE 5283204 C14770 HMDB10409 UCDavis_Newman_ID 11-HETE 14123410 HMDB04682 UCDavis_Newman_ID 12,13-DiHODE 16061067 C14829 HMDB10201 UCDavis_Newman_ID 12,13-DiHOME 10236635 C14829 HMDB04705 UCDavis_Newman_ID 12(13)-Ep-9-KODE 5283007 HMDB13623 UCDavis_Newman_ID 12(13)-EpODE 16061054 HMDB10200 UCDavis_Newman_ID 12(13)-EpOME 5356421 C14826 HMDB04702 UCDavis_Newman_ID 12-HEPE 10041593 HMDB10202 UCDavis_Newman_ID 12-HETE 13786989 C14777 HMDB06111 UCDavis_Newman_ID 12-HpETE 5280892 C05965 HMDB04243 UCDavis_Newman_ID 13-HODE 5282948 HMDB04667 UCDavis_Newman_ID 13-HOTE 10469728 HMDB10203 UCDavis_Newman_ID 13-HpODE 1426 HMDB03871 UCDavis_Newman_ID 13-KODE 6446027 C14765 HMDB04668 UCDavis_Newman_ID 14,15-DiHETE 16061119 HMDB10204 UCDavis_Newman_ID 14,15-DiHETrE 5283147 C14775 HMDB02265 UCDavis_Newman_ID 14(15)-EpETE 16061088 HMDB10205 UCDavis_Newman_ID 14(15)-EpETrE 11954058 C14771 HMDB04693 UCDavis_Newman_ID 14-HDoHE 11566378 HMDB60044 UCDavis_Newman_ID 15,16-DiHODE 16061068 HMDB10208 UCDavis_Newman_ID 15(16)-EpODE 16061062 HMDB10206 UCDavis_Newman_ID 15-deoxy PGJ2 5311211 C14717 HMDB05079 UCDavis_Newman_ID 15-HEPE 53480357 HMDB10209 UCDavis_Newman_ID 15-HETE 9966861 C04742 HMDB03876 UCDavis_Newman_ID 15-HETrE 44322431 HMDB10410 UCDavis_Newman_ID 15-HpETE 5280893 C05966 HMDB04244 UCDavis_Newman_ID 15-KETE 5280701 C04577 HMDB10210 UCDavis_Newman_ID 16(17)-EpDPE 14392758 HMDB13621 UCDavis_Newman_ID 17,18-DiHETE 16061120 HMDB10211 UCDavis_Newman_ID 17(18)-EpETE 16061089 C13843 HMDB10212 UCDavis_Newman_ID 17-HDoHE 6439179 HMDB10213 UCDavis_Newman_ID 19,20-DiHDoPA 16061148 HMDB10214 UCDavis_Newman_ID 19(20)-EpDPE 11631565 HMDB13620 UCDavis_Newman_ID 20-carboxy-LTB4 5280877 C05950 HMDB06059 UCDavis_Newman_ID 20-HETE 5283157 C14748 HMDB05998 UCDavis_Newman_ID 20-hydroxy-LTB4 5280745 C04853 HMDB01509 UCDavis_Newman_ID 4-HDoHE 14429109 HMDB60049 UCDavis_Newman_ID 5,15-DiHETE 59878863 HMDB10216 UCDavis_Newman_ID 5,6-DiHETrE 5283142 C14772 HMDB02343 UCDavis_Newman_ID 5-HEPE 6439678 HMDB05081 UCDavis_Newman_ID 5-HETE 9862886 C04805 HMDB11134 UCDavis_Newman_ID 5-HpETE 5280778 C05356 HMDB11135 UCDavis_Newman_ID 5-KETE 5283159 C14732 HMDB10217 UCDavis_Newman_ID 6-keto PGF1a 5280888 C05961 HMDB02886 UCDavis_Newman_ID 6-trans-LTB4 5283128 HMDB05087 UCDavis_Newman_ID 8,15-DiHETE 53480358 HMDB10219 UCDavis_Newman_ID 8,9-DiHETrE 5283144 C14773 HMDB02311 UCDavis_Newman_ID 8(9)-EpETrE 5353364 HMDB02232 UCDavis_Newman_ID 8-HETE 11976122 C14776 HMDB04679 UCDavis_Newman_ID 9,10-13-TriHOME 5282965 C14835 HMDB04710 UCDavis_Newman_ID 9,10-DiHODE 16061066 HMDB10221 UCDavis_Newman_ID 9,10-DiHOME 9966640 C14828 HMDB04704 UCDavis_Newman_ID 9(10)-EpODE 16061060 HMDB10220 UCDavis_Newman_ID 9(10)-EpOME 6246154 C14825 HMDB04704 UCDavis_Newman_ID 9,12,13-TriHOME 9858729 C14833 HMDB04708 UCDavis_Newman_ID 9-HEPE 16061129 9-HETE 14123398 HMDB10222 UCDavis_Newman_ID 9-HODE 5282944 HMDB10223 UCDavis_Newman_ID 9-HOTE 53480359 HMDB10224 UCDavis_Newman_ID 9-HpODE 9548877 C14827 HMDB06940 UCDavis_Newman_ID 9-KODE 9839084 C14766 HMDB04669 UCDavis_Newman_ID Lipoxin A4 5280914 C06314 HMDB04385 UCDavis_Newman_ID LTB4 5280492 C02165 HMDB02886 UCDavis_Newman_ID LTB5 5283125 HMDB05073 UCDavis_Newman_ID PGD2 448457 C00696 HMDB01403 UCDavis_Newman_ID PGE1 5280723 C04741 HMDB01442 UCDavis_Newman_ID PGE2 5280360 C00584 HMDB01220 UCDavis_Newman_ID PGE3 5280937 C06439 HMDB02664 UCDavis_Newman_ID PGF2a 5283078 C00639 HMDB01139 UCDavis_Newman_ID PGJ2/ d 12-PGJ2 HMDB04238 UCDavis_Newman_ID Resolvin D1 44251266 C18178 HMDB03733 UCDavis_Newman_ID Resolvin E1 10473088 C18171 HMDB10410 UCDavis_Newman_ID TXB2 5283137 C05963 HMDB03252 UCDavis_Newman_ID METABOLITES_END #END