#METABOLOMICS WORKBENCH sgbevers_20240614_084004 DATATRACK_ID:4921 STUDY_ID:ST003323 ANALYSIS_ID:AN005438 PROJECT_ID:PR002067 VERSION 1 CREATED_ON June 18, 2024, 6:02 pm #PROJECT PR:PROJECT_TITLE Trained immunity in hematopoietic stem cell-derived macrophages is defined by a PR:PROJECT_TITLE distinct metabolic and epigenetic state PR:PROJECT_SUMMARY In the present study, we investigate the contribution of long-term hematopoietic PR:PROJECT_SUMMARY stem cells (HSCLT) to trained immunity (TI) in the setting of chronic autoimmune PR:PROJECT_SUMMARY disease. Using a mouse model of systemic lupus erythematosus (SLE), we show that PR:PROJECT_SUMMARY bone marrow derived macrophages (BMDMs) from autoimmune mice exhibit hallmark PR:PROJECT_SUMMARY features of TI, including increased Mycobacterium avium killing and inflammatory PR:PROJECT_SUMMARY cytokine production. Furthermore, these functional properties are PR:PROJECT_SUMMARY mechanistically linked to increased glycolytic metabolism in BMDMs from primary PR:PROJECT_SUMMARY autoimmune mice. While we find that HSC from autoimmune mice constitute a PR:PROJECT_SUMMARY transplantable, long-term reservoir for macrophages that exhibit the functional PR:PROJECT_SUMMARY properties of TI, these BMDMs exhibit a distinctive metabolic state typified by PR:PROJECT_SUMMARY attenuated glycolytic activity. Furthermore, and in contrast to BMDMs from PR:PROJECT_SUMMARY primary autoimmune mice, BMDMs and myeloid progenitors derived from autoimmune PR:PROJECT_SUMMARY donor HSC exhibit a unique pattern of molecular remodeling characterized by PR:PROJECT_SUMMARY reduced chromatin accessibility at a broad array of metabolic genes, while PR:PROJECT_SUMMARY retaining elevated expression of TI-associated transcriptional regulators such PR:PROJECT_SUMMARY as Jun and Fos. Taken together, our data show that HSC exposed to autoimmune PR:PROJECT_SUMMARY inflammation gives rise to macrophages in which the hallmark functional PR:PROJECT_SUMMARY properties of TI are decoupled from glycolytic metabolism. Altogether, our data PR:PROJECT_SUMMARY support a model in which TI is characterized by a spectrum of distinct molecular PR:PROJECT_SUMMARY and metabolic states capable of driving augmented immune function. PR:INSTITUTE University of Colorado Anschutz Medical Campus PR:LAST_NAME Bevers PR:FIRST_NAME Shaun PR:ADDRESS 12801 E 17th Ave Bldg. RC-1S Rm L2400 Aurora CO 80045 PR:EMAIL shaun.bevers@cuanschutz.edu PR:PHONE 970-217-3413 #STUDY ST:STUDY_TITLE Global Metabolomics and U-13C6-Glucose Tracing in Bone Marrow Derived ST:STUDY_TITLE Macrophages (BMDM) ST:STUDY_SUMMARY We evaluated alterations in cellular metabolism via comprehensive metabolic ST:STUDY_SUMMARY profiling of BMDMs derived from control and trained HSCLT. Thus, we performed ST:STUDY_SUMMARY ultra-high-performance mass spectrometry (UHPLC-MS) analysis of control and ST:STUDY_SUMMARY trained donor HSCLT-derived BMDMs following 6hr IC stimulation. We identified ST:STUDY_SUMMARY 206 metabolites, of which 88 were differentially abundant in control vs. trained ST:STUDY_SUMMARY BMDMs. Notably, we observed reductions in global metabolite abundance across ST:STUDY_SUMMARY multiple pathways in trained HSCLT-derived BMDMs including multiple amino acid, ST:STUDY_SUMMARY nucleotide, glutathione, and fatty acid synthesis pathways among others. In ST:STUDY_SUMMARY agreement with our Seahorse data, BMDMs from trained HSCLT exhibited a reduction ST:STUDY_SUMMARY in the abundance of metabolites in and downstream of the glycolysis pathway ST:STUDY_SUMMARY following IC stimulation, compared to BMDMs from control donor HSCLT. This ST:STUDY_SUMMARY phenotype was particularly evident in pathways constituting central carbon ST:STUDY_SUMMARY metabolism, including glycolysis itself (green), the pentose phosphate pathway ST:STUDY_SUMMARY (red), the tricarboxylic acid cycle (TCA, blue), as well as alternative carbon ST:STUDY_SUMMARY metabolites (grey). Furthermore, we observed significant reductions in products ST:STUDY_SUMMARY of central carbon metabolism, including levels of ATP, AMP (gold), and amino ST:STUDY_SUMMARY acids (grey) as well as fatty acids, pentose phosphates and lactate. Along these ST:STUDY_SUMMARY lines, even in the absence of IC stimulation there were significant reductions ST:STUDY_SUMMARY in metabolites associated with several pathways, primarily amino acid ST:STUDY_SUMMARY metabolism, nucleotide metabolism, and fatty acid metabolism (42 metabolites ST:STUDY_SUMMARY total). Given the significant reduction in glycolytic metabolites and their ST:STUDY_SUMMARY downstream products in IC-stimulated BMDMs derived from trained HSCLT, we also ST:STUDY_SUMMARY measured changes in glucose fate by culturing the BMDMs for 24h in media ST:STUDY_SUMMARY containing U-13C-glucose. 6hr prior to harvest, we stimulated them with IC. This ST:STUDY_SUMMARY approach facilitates analysis of IC-induced glycolytic activity levels and ST:STUDY_SUMMARY details changes in glucose fate based on isotopic labeling of downstream ST:STUDY_SUMMARY metabolites with 13C, while also providing information on global (13C labeled + ST:STUDY_SUMMARY unlabeled) metabolite levels. Consistent with our global metabolic analysis and ST:STUDY_SUMMARY Seahorse assays above, we noted reduced global metabolite levels as well as ST:STUDY_SUMMARY broad reductions in overall 13C peak areas in multiple metabolic pathways ST:STUDY_SUMMARY downstream of glucose, including lower glycolysis (lactate production), the ST:STUDY_SUMMARY pentose phosphate pathway, TCA cycle and TCA cycle-derived amino acids, based on ST:STUDY_SUMMARY measurement of the peak area of 13C labeled isotope species (M+#). To further ST:STUDY_SUMMARY evaluate potential shifts in glucose utilization we also expressed the data as a ST:STUDY_SUMMARY proportion of M+x# 13C labeled plus M+0 unlabeled metabolite isotopologues. Of ST:STUDY_SUMMARY note, in trained HSCLT donor-derived BMDMs we identified a slight though ST:STUDY_SUMMARY significant increase in the proportion of M+6 13C labeling in upper glycolysis ST:STUDY_SUMMARY (hexose phosphate), which culminated in preferential entry into the pentose ST:STUDY_SUMMARY phosphate pathway (based on increased though non-significant proportions of M+6 ST:STUDY_SUMMARY 13C labeled phospho-gluconate, M+7 13C labeled sedoheptulose 1/7-p) and M+5 ST:STUDY_SUMMARY labeled pentose phosphates, likely indicative of 13C label cycling through the ST:STUDY_SUMMARY non-oxidative PPP. On the other hand, BMDMs from trained donor HSCLT exhibited a ST:STUDY_SUMMARY trending reduction in the proportion of 13C labeling of lactate and a ST:STUDY_SUMMARY significant reduction in the proportion of 13C labeling in the TCA cycle ST:STUDY_SUMMARY indicative of reduced glucose oxidation through central carbon metabolic ST:STUDY_SUMMARY pathways downstream of pyruvate. Furthermore, we observed reduced 13C labeling ST:STUDY_SUMMARY in key amino acids derived from central carbon metabolism including alanine and ST:STUDY_SUMMARY glutamate (purple), reflecting reduced contribution of glucose to amino acid ST:STUDY_SUMMARY synthesis and consistent with reduced global levels of these metabolites (Fig. ST:STUDY_SUMMARY 6D). As these data could be consistent with increased glucose entry into fatty ST:STUDY_SUMMARY acid synthesis pathways, we measured 13C label accumulation into palmitate but ST:STUDY_SUMMARY did not identify significant changes in 13C labeling. Taken together, these data ST:STUDY_SUMMARY are consistent with broad metabolic remodeling of IC-stimulated BMDMs derived ST:STUDY_SUMMARY from trained HSCLT, characterized by smaller metabolite pools and preferential ST:STUDY_SUMMARY routing of glucose into the PPP, with concomitant reduction of glucose entry ST:STUDY_SUMMARY into the TCA cycle. ST:INSTITUTE University of Colorado Anschutz Medical Campus ST:LAST_NAME Bevers ST:FIRST_NAME Shaun ST:ADDRESS 12801 E 17th Ave Bldg. RC-1S Rm L2400 Aurora CO 80045 ST:EMAIL shaun.bevers@cuanschutz.edu ST:PHONE 970-217-3413 #SUBJECT SU:SUBJECT_TYPE Cultured cells SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 #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_prim-Ctrl-1 Sample source:Primary Cell | Treatment:Control RAW_FILE_NAME(Raw File Name)=1_prim-Ctrl-1.mzxml SUBJECT_SAMPLE_FACTORS - 2_prim-Ctrl-2 Sample source:Primary Cell | Treatment:Control RAW_FILE_NAME(Raw File Name)=2_prim-Ctrl-2.mzxml SUBJECT_SAMPLE_FACTORS - 3_prim-Ctrl-3 Sample source:Primary Cell | Treatment:Control RAW_FILE_NAME(Raw File Name)=3_prim-Ctrl-3.mzxml SUBJECT_SAMPLE_FACTORS - 4_prim-Ctrl-4 Sample source:Primary Cell | Treatment:Control RAW_FILE_NAME(Raw File Name)=4_prim-Ctrl-4.mzxml SUBJECT_SAMPLE_FACTORS - 5_prim-Ctrl-5 Sample source:Primary Cell | Treatment:Control RAW_FILE_NAME(Raw File Name)=5_prim-Ctrl-5.mzxml SUBJECT_SAMPLE_FACTORS - 6_prim-pIC-1 Sample source:Primary Cell | Treatment:Pristane RAW_FILE_NAME(Raw File Name)=6_prim-pIC-1.mzxml SUBJECT_SAMPLE_FACTORS - 7_prim-pIC-2 Sample source:Primary Cell | Treatment:Pristane RAW_FILE_NAME(Raw File Name)=7_prim-pIC-2.mzxml SUBJECT_SAMPLE_FACTORS - 8_prim-pIC-3 Sample source:Primary Cell | Treatment:Pristane RAW_FILE_NAME(Raw File Name)=8_prim-pIC-3.mzxml SUBJECT_SAMPLE_FACTORS - 9_prim-pIC-4 Sample source:Primary Cell | Treatment:Pristane RAW_FILE_NAME(Raw File Name)=9_prim-pIC-4.mzxml SUBJECT_SAMPLE_FACTORS - 10_prim-pIC-5 Sample source:Primary Cell | Treatment:Pristane RAW_FILE_NAME(Raw File Name)=10_prim-pIC-5.mzxml SUBJECT_SAMPLE_FACTORS - 11_prim-Lup-1 Sample source:Primary Cell | Treatment:Lup RAW_FILE_NAME(Raw File Name)=11_prim-Lup-1.mzxml SUBJECT_SAMPLE_FACTORS - 12_prim-Lup-2 Sample source:Primary Cell | Treatment:Lup RAW_FILE_NAME(Raw File Name)=12_prim-Lup-2.mzxml SUBJECT_SAMPLE_FACTORS - 13_prim-Lup-3 Sample source:Primary Cell | Treatment:Lup RAW_FILE_NAME(Raw File Name)=13_prim-Lup-3.mzxml SUBJECT_SAMPLE_FACTORS - 14_prim-Lup-4 Sample source:Primary Cell | Treatment:Lup RAW_FILE_NAME(Raw File Name)=14_prim-Lup-4.mzxml SUBJECT_SAMPLE_FACTORS - 15_prim-Lup-5 Sample source:Primary Cell | Treatment:Lup RAW_FILE_NAME(Raw File Name)=15_prim-Lup-5.mzxml SUBJECT_SAMPLE_FACTORS - 16_sec-Ctrl-1 Sample source:Secondary Cell | Treatment:Control RAW_FILE_NAME(Raw File Name)=16_sec-Ctrl-1.mzxml SUBJECT_SAMPLE_FACTORS - 17_sec-Ctrl-2 Sample source:Secondary Cell | Treatment:Control RAW_FILE_NAME(Raw File Name)=17_sec-Ctrl-2.mzxml SUBJECT_SAMPLE_FACTORS - 18_sec-Ctrl-3 Sample source:Secondary Cell | Treatment:Control RAW_FILE_NAME(Raw File Name)=18_sec-Ctrl-3.mzxml SUBJECT_SAMPLE_FACTORS - 19_sec-Ctrl-4 Sample source:Secondary Cell | Treatment:Control RAW_FILE_NAME(Raw File Name)=19_sec-Ctrl-4.mzxml SUBJECT_SAMPLE_FACTORS - 20_sec-Ctrl-5 Sample source:Secondary Cell | Treatment:Control RAW_FILE_NAME(Raw File Name)=20_sec-Ctrl-5.mzxml SUBJECT_SAMPLE_FACTORS - 21_sec-pIC-1 Sample source:Secondary Cell | Treatment:Pristane RAW_FILE_NAME(Raw File Name)=21_sec-pIC-1.mzxml SUBJECT_SAMPLE_FACTORS - 22_sec-pIC-2 Sample source:Secondary Cell | Treatment:Pristane RAW_FILE_NAME(Raw File Name)=22_sec-pIC-2.mzxml SUBJECT_SAMPLE_FACTORS - 23_sec-pIC-3 Sample source:Secondary Cell | Treatment:Pristane RAW_FILE_NAME(Raw File Name)=23_sec-pIC-3.mzxml SUBJECT_SAMPLE_FACTORS - 24_sec-pIC-4 Sample source:Secondary Cell | Treatment:Pristane RAW_FILE_NAME(Raw File Name)=24_sec-pIC-4.mzxml SUBJECT_SAMPLE_FACTORS - 25_sec-pIC-5 Sample source:Secondary Cell | Treatment:Pristane RAW_FILE_NAME(Raw File Name)=25_sec-pIC-5.mzxml SUBJECT_SAMPLE_FACTORS - 26_sec-Lup-1 Sample source:Secondary Cell | Treatment:Lup RAW_FILE_NAME(Raw File Name)=26_sec-Lup-1.mzxml SUBJECT_SAMPLE_FACTORS - 27_sec-Lup-2 Sample source:Secondary Cell | Treatment:Lup RAW_FILE_NAME(Raw File Name)=27_sec-Lup-2.mzxml SUBJECT_SAMPLE_FACTORS - 28_sec-Lup-3 Sample source:Secondary Cell | Treatment:Lup RAW_FILE_NAME(Raw File Name)=28_sec-Lup-3.mzxml SUBJECT_SAMPLE_FACTORS - 29_sec-Lup-4 Sample source:Secondary Cell | Treatment:Lup RAW_FILE_NAME(Raw File Name)=29_sec-Lup-4.mzxml SUBJECT_SAMPLE_FACTORS - 30_sec-Lup-5 Sample source:Secondary Cell | Treatment:Lup RAW_FILE_NAME(Raw File Name)=30_sec-Lup-5.mzxml SUBJECT_SAMPLE_FACTORS - 31_sec-C13-6H-Ctrl-1 Sample source:Secondary Cell | Treatment:Control RAW_FILE_NAME(Raw File Name)=31_sec-C13-6H-Ctrl-1.mzxml SUBJECT_SAMPLE_FACTORS - 32_sec-C13-6H-Ctrl-2 Sample source:Secondary Cell | Treatment:Control RAW_FILE_NAME(Raw File Name)=32_sec-C13-6H-Ctrl-2.mzxml SUBJECT_SAMPLE_FACTORS - 33_sec-C13-6H-Ctrl-3 Sample source:Secondary Cell | Treatment:Control RAW_FILE_NAME(Raw File Name)=33_sec-C13-6H-Ctrl-3.mzxml SUBJECT_SAMPLE_FACTORS - 34_sec-C13-6H-Ctrl-4 Sample source:Secondary Cell | Treatment:Control RAW_FILE_NAME(Raw File Name)=34_sec-C13-6H-Ctrl-4.mzxml SUBJECT_SAMPLE_FACTORS - 35_sec-C13-6H-Ctrl-5 Sample source:Secondary Cell | Treatment:Control RAW_FILE_NAME(Raw File Name)=35_sec-C13-6H-Ctrl-5.mzxml SUBJECT_SAMPLE_FACTORS - 36_sec-C13-6H-pIC-1 Sample source:Secondary Cell | Treatment:Pristane RAW_FILE_NAME(Raw File Name)=36_sec-C13-6H-pIC-1.mzxml SUBJECT_SAMPLE_FACTORS - 37_sec-C13-6H-pIC-2 Sample source:Secondary Cell | Treatment:Pristane RAW_FILE_NAME(Raw File Name)=37_sec-C13-6H-pIC-2.mzxml SUBJECT_SAMPLE_FACTORS - 38_sec-C13-6H-pIC-3 Sample source:Secondary Cell | Treatment:Pristane RAW_FILE_NAME(Raw File Name)=38_sec-C13-6H-pIC-3.mzxml SUBJECT_SAMPLE_FACTORS - 39_sec-C13-6H-pIC-4 Sample source:Secondary Cell | Treatment:Pristane RAW_FILE_NAME(Raw File Name)=39_sec-C13-6H-pIC-4.mzxml SUBJECT_SAMPLE_FACTORS - 40_sec-C13-6H-pIC-5 Sample source:Secondary Cell | Treatment:Pristane RAW_FILE_NAME(Raw File Name)=40_sec-C13-6H-pIC-5.mzxml SUBJECT_SAMPLE_FACTORS - 41_sec-C13-6H-Lup-1 Sample source:Secondary Cell | Treatment:Lup RAW_FILE_NAME(Raw File Name)=41_sec-C13-6H-Lup-1.mzxml SUBJECT_SAMPLE_FACTORS - 42_sec-C13-6H-Lup-2 Sample source:Secondary Cell | Treatment:Lup RAW_FILE_NAME(Raw File Name)=42_sec-C13-6H-Lup-2.mzxml SUBJECT_SAMPLE_FACTORS - 43_sec-C13-6H-Lup-3 Sample source:Secondary Cell | Treatment:Lup RAW_FILE_NAME(Raw File Name)=43_sec-C13-6H-Lup-3.mzxml SUBJECT_SAMPLE_FACTORS - 44_sec-C13-6H-Lup-4 Sample source:Secondary Cell | Treatment:Lup RAW_FILE_NAME(Raw File Name)=44_sec-C13-6H-Lup-4.mzxml SUBJECT_SAMPLE_FACTORS - 45_sec-C13-6H-Lup-5 Sample source:Secondary Cell | Treatment:Lup RAW_FILE_NAME(Raw File Name)=45_sec-C13-6H-Lup-5.mzxml SUBJECT_SAMPLE_FACTORS - 46_sec-C13-24H-Ctrl-1 Sample source:Secondary Cell | Treatment:Control RAW_FILE_NAME(Raw File Name)=46_sec-C13-24H-Ctrl-1.mzxml SUBJECT_SAMPLE_FACTORS - 47_sec-C13-24H-Ctrl-2 Sample source:Secondary Cell | Treatment:Control RAW_FILE_NAME(Raw File Name)=47_sec-C13-24H-Ctrl-2.mzxml SUBJECT_SAMPLE_FACTORS - 48_sec-C13-24H-Ctrl-3 Sample source:Secondary Cell | Treatment:Control RAW_FILE_NAME(Raw File Name)=48_sec-C13-24H-Ctrl-3.mzxml SUBJECT_SAMPLE_FACTORS - 49_sec-C13-24H-Ctrl-4 Sample source:Secondary Cell | Treatment:Control RAW_FILE_NAME(Raw File Name)=49_sec-C13-24H-Ctrl-4.mzxml SUBJECT_SAMPLE_FACTORS - 50_sec-C13-24H-Ctrl-5 Sample source:Secondary Cell | Treatment:Control RAW_FILE_NAME(Raw File Name)=50_sec-C13-24H-Ctrl-5.mzxml SUBJECT_SAMPLE_FACTORS - 51_sec-C13-24H-pIC-1 Sample source:Secondary Cell | Treatment:Pristane RAW_FILE_NAME(Raw File Name)=51_sec-C13-24H-pIC-1.mzxml SUBJECT_SAMPLE_FACTORS - 52_sec-C13-24H-pIC-2 Sample source:Secondary Cell | Treatment:Pristane RAW_FILE_NAME(Raw File Name)=52_sec-C13-24H-pIC-2.mzxml SUBJECT_SAMPLE_FACTORS - 53_sec-C13-24H-pIC-3 Sample source:Secondary Cell | Treatment:Pristane RAW_FILE_NAME(Raw File Name)=53_sec-C13-24H-pIC-3.mzxml SUBJECT_SAMPLE_FACTORS - 54_sec-C13-24H-pIC-4 Sample source:Secondary Cell | Treatment:Pristane RAW_FILE_NAME(Raw File Name)=54_sec-C13-24H-pIC-4.mzxml SUBJECT_SAMPLE_FACTORS - 55_sec-C13-24H-pIC-5 Sample source:Secondary Cell | Treatment:Pristane RAW_FILE_NAME(Raw File Name)=55_sec-C13-24H-pIC-5.mzxml SUBJECT_SAMPLE_FACTORS - 56_sec-C13-24H-Lup-1 Sample source:Secondary Cell | Treatment:Lup RAW_FILE_NAME(Raw File Name)=56_sec-C13-24H-Lup-1.mzxml SUBJECT_SAMPLE_FACTORS - 57_sec-C13-24H-Lup-2 Sample source:Secondary Cell | Treatment:Lup RAW_FILE_NAME(Raw File Name)=57_sec-C13-24H-Lup-2.mzxml SUBJECT_SAMPLE_FACTORS - 58_sec-C13-24H-Lup-3 Sample source:Secondary Cell | Treatment:Lup RAW_FILE_NAME(Raw File Name)=58_sec-C13-24H-Lup-3.mzxml SUBJECT_SAMPLE_FACTORS - 59_sec-C13-24H-Lup-4 Sample source:Secondary Cell | Treatment:Lup RAW_FILE_NAME(Raw File Name)=59_sec-C13-24H-Lup-4.mzxml SUBJECT_SAMPLE_FACTORS - 60_sec-C13-24H-Lup-5 Sample source:Secondary Cell | Treatment:Lup RAW_FILE_NAME(Raw File Name)=60_sec-C13-24H-Lup-5.mzxml #COLLECTION CO:COLLECTION_SUMMARY Bone marrow derived macrophages (BMDMs) were generated by flushing one femur CO:COLLECTION_SUMMARY with 3mL of SM. BM cells were then placed into culture in T-75 flasks with BMDM CO:COLLECTION_SUMMARY media (DMEM base, 10% FBS, 1x Anti Anti (Gibco, 15240-062), 1x MEM-NEAA (Gibco, CO:COLLECTION_SUMMARY 11140-050), 1x Sodium Pyruvate (Gibco, 11360-070), 1x L-glutamine (Gibco, CO:COLLECTION_SUMMARY 25030-081) containing 50ng/mL of M-CSF (Peprotech). On day 5 of culture, CO:COLLECTION_SUMMARY adherent cells were washed three times with sterile 1x DPBS (Gibco, 14190-136) CO:COLLECTION_SUMMARY and isolated via treatment with 0.25% Trypsin (Gibco, 25200-056) for 3 minutes CO:COLLECTION_SUMMARY at 37oC before mechanical scraping. Cells were counted via hemocytometer before CO:COLLECTION_SUMMARY being seeded overnight for functional assessment. The positive generation of CO:COLLECTION_SUMMARY BMDMs in culture was determined by examination of Gr1+/CD11b+/F4/80+ cells via CO:COLLECTION_SUMMARY flow cytometry using staining cocktails described above. For BMDM CO:COLLECTION_SUMMARY differentiation in the presence of rapamycin (1µg/mL, Sigma R0395), rapamycin CO:COLLECTION_SUMMARY was added to the BMDM media at the time of initial plating. After three days of CO:COLLECTION_SUMMARY culture, rapamycin was replenished by adding it directly to the culture flask CO:COLLECTION_SUMMARY for a final concentration of 1µg/mL. CO:SAMPLE_TYPE Bone marrow #TREATMENT TR:TREATMENT_SUMMARY BMDMs (3x105 cells) were plated and cultured for a total of 24 hours. After 18 TR:TREATMENT_SUMMARY hours of culture, the cells were stimulated with IC for the remaining 6 hours. TR:TREATMENT_SUMMARY For stable isotope-labeled U-13C6-glucose tracing experiments, the cells were TR:TREATMENT_SUMMARY cultured in BMDM media using DMEM base media without glucose that was TR:TREATMENT_SUMMARY supplemented with U-13C-glucose (Sigma Aldrich 389374) at a concentration of TR:TREATMENT_SUMMARY 4.5g/L for 24 hours, with IC stimulation starting at hour 18 for the remaining 6 TR:TREATMENT_SUMMARY hours. Subsequently, the BMDMs were washed with DPBS, all liquid was removed, TR:TREATMENT_SUMMARY and the cells were flash frozen using liquid nitrogen #SAMPLEPREP SP:SAMPLEPREP_SUMMARY The BMDMs were then prepared for metabolomics analyses via ultra-high SP:SAMPLEPREP_SUMMARY pressure-liquid chromatography-mass spectrometry (UHPLC-MS – Vanquish and Q SP:SAMPLEPREP_SUMMARY Exactive, Thermo Fisher) as previously reported (Nemkov, D’Alessandro and SP:SAMPLEPREP_SUMMARY Hansen, 2015). Briefly, cells were extracted in ice cold SP:SAMPLEPREP_SUMMARY methanol:acetonitrile:water (5:3:2 v/v/v) at a concentration of 2x106 cells/mL SP:SAMPLEPREP_SUMMARY of buffer. After vortexing for 30 min at 4°C, samples were centrifuged at SP:SAMPLEPREP_SUMMARY 12,000 g for 10 min at 4°C and supernatants processed for metabolomics SP:SAMPLEPREP_SUMMARY analyses. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY After sample randomization, 10 μL of extracts were injected into a Thermo CH:CHROMATOGRAPHY_SUMMARY Vanquish UHPLC system (San Jose, CA, USA) and resolved on a Kinetex C18 column CH:CHROMATOGRAPHY_SUMMARY (150 × 2.1 mm, 1.7 μm, Phenomenex, Torrance, CA, USA) at 450 μL/min through a CH:CHROMATOGRAPHY_SUMMARY 5 min gradient from 0 to 100% organic solvent B (mobile phases: A = 95% water, CH:CHROMATOGRAPHY_SUMMARY 5% acetonitrile, 1 mM ammonium acetate; B = 95% acetonitrile, 5% water, 1 mM CH:CHROMATOGRAPHY_SUMMARY ammonium acetate) in negative ion mode. Solvent gradient: 0-0.5 min 0% B, CH:CHROMATOGRAPHY_SUMMARY 0.5-1.1 min 0-100% B, 1.1-2.75 min hold at 100% B, 2.75-3 min 100-0% B, 3-5 min CH:CHROMATOGRAPHY_SUMMARY hold at 0% B. CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Thermo Vanquish CH:COLUMN_NAME Phenomenex Kinetex C18 (150 x 2.1mm,1.7um) CH:SOLVENT_A 95% water; 5% acetonitrile; 1mM ammonium acetate CH:SOLVENT_B 95% acetonitrile; 5% water; 1 mM ammonium acetate CH:FLOW_GRADIENT 0-0.5 min 0% B, 0.5-1.1 min 0-100% B, 1.1-2.75 min hold at 100% B, 2.75-3 min CH:FLOW_GRADIENT 100-0% B, 3-5 min hold at 0% B CH:FLOW_RATE 0.45mL/min CH:COLUMN_TEMPERATURE 45 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS The mass spectrometer scanned in Full MS mode at 70,000 resolution in the MS:MS_COMMENTS 65–975 m/z range, 4 kV spray voltage, 45 sheath gas and 15 auxiliary gas #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Intensity Counts MS_METABOLITE_DATA_START Samples 1_prim-Ctrl-1 2_prim-Ctrl-2 3_prim-Ctrl-3 4_prim-Ctrl-4 5_prim-Ctrl-5 6_prim-pIC-1 7_prim-pIC-2 8_prim-pIC-3 9_prim-pIC-4 10_prim-pIC-5 11_prim-Lup-1 12_prim-Lup-2 13_prim-Lup-3 14_prim-Lup-4 15_prim-Lup-5 16_sec-Ctrl-1 17_sec-Ctrl-2 18_sec-Ctrl-3 19_sec-Ctrl-4 20_sec-Ctrl-5 21_sec-pIC-1 22_sec-pIC-2 23_sec-pIC-3 24_sec-pIC-4 25_sec-pIC-5 26_sec-Lup-1 27_sec-Lup-2 28_sec-Lup-3 29_sec-Lup-4 30_sec-Lup-5 31_sec-C13-6H-Ctrl-1 32_sec-C13-6H-Ctrl-2 33_sec-C13-6H-Ctrl-3 34_sec-C13-6H-Ctrl-4 35_sec-C13-6H-Ctrl-5 36_sec-C13-6H-pIC-1 37_sec-C13-6H-pIC-2 38_sec-C13-6H-pIC-3 39_sec-C13-6H-pIC-4 40_sec-C13-6H-pIC-5 41_sec-C13-6H-Lup-1 42_sec-C13-6H-Lup-2 43_sec-C13-6H-Lup-3 44_sec-C13-6H-Lup-4 45_sec-C13-6H-Lup-5 46_sec-C13-24H-Ctrl-1 47_sec-C13-24H-Ctrl-2 48_sec-C13-24H-Ctrl-3 49_sec-C13-24H-Ctrl-4 50_sec-C13-24H-Ctrl-5 51_sec-C13-24H-pIC-1 52_sec-C13-24H-pIC-2 53_sec-C13-24H-pIC-3 54_sec-C13-24H-pIC-4 55_sec-C13-24H-pIC-5 56_sec-C13-24H-Lup-1 57_sec-C13-24H-Lup-2 58_sec-C13-24H-Lup-3 59_sec-C13-24H-Lup-4 60_sec-C13-24H-Lup-5 Factors Sample source:Primary Cell | Treatment:Control Sample source:Primary Cell | Treatment:Control Sample source:Primary Cell | Treatment:Control Sample source:Primary Cell | Treatment:Control Sample source:Primary Cell | Treatment:Control Sample source:Primary Cell | Treatment:Pristane Sample source:Primary Cell | Treatment:Pristane Sample source:Primary Cell | Treatment:Pristane Sample source:Primary Cell | Treatment:Pristane Sample source:Primary Cell | Treatment:Pristane Sample source:Primary Cell | Treatment:Lup Sample source:Primary Cell | Treatment:Lup Sample source:Primary Cell | Treatment:Lup Sample source:Primary Cell | Treatment:Lup Sample source:Primary Cell | Treatment:Lup Sample source:Secondary Cell | Treatment:Control Sample source:Secondary Cell | Treatment:Control Sample source:Secondary Cell | Treatment:Control Sample source:Secondary Cell | Treatment:Control Sample source:Secondary Cell | Treatment:Control Sample source:Secondary Cell | Treatment:Pristane Sample source:Secondary Cell | Treatment:Pristane Sample source:Secondary Cell | Treatment:Pristane Sample source:Secondary Cell | Treatment:Pristane Sample source:Secondary Cell | Treatment:Pristane Sample source:Secondary Cell | Treatment:Lup Sample source:Secondary Cell | Treatment:Lup Sample source:Secondary Cell | Treatment:Lup Sample source:Secondary Cell | Treatment:Lup Sample source:Secondary Cell | Treatment:Lup Sample source:Secondary Cell | Treatment:Control Sample source:Secondary Cell | Treatment:Control Sample source:Secondary Cell | Treatment:Control Sample source:Secondary Cell | Treatment:Control Sample source:Secondary Cell | Treatment:Control Sample source:Secondary Cell | Treatment:Pristane Sample source:Secondary Cell | Treatment:Pristane Sample source:Secondary Cell | Treatment:Pristane Sample source:Secondary Cell | Treatment:Pristane Sample source:Secondary Cell | Treatment:Pristane Sample source:Secondary Cell | Treatment:Lup Sample source:Secondary Cell | Treatment:Lup Sample source:Secondary Cell | Treatment:Lup Sample source:Secondary Cell | Treatment:Lup Sample source:Secondary Cell | Treatment:Lup Sample source:Secondary Cell | Treatment:Control Sample source:Secondary Cell | Treatment:Control Sample source:Secondary Cell | Treatment:Control Sample source:Secondary Cell | Treatment:Control Sample source:Secondary Cell | Treatment:Control Sample source:Secondary Cell | Treatment:Pristane Sample source:Secondary Cell | Treatment:Pristane Sample source:Secondary Cell | Treatment:Pristane Sample source:Secondary Cell | Treatment:Pristane Sample source:Secondary Cell | Treatment:Pristane Sample source:Secondary Cell | Treatment:Lup Sample source:Secondary Cell | Treatment:Lup Sample source:Secondary Cell | Treatment:Lup Sample source:Secondary Cell | Treatment:Lup Sample source:Secondary Cell | Treatment:Lup ATP 2.20E+05 2.86E+05 1.52E+05 2.58E+05 1.92E+05 6.40E+04 7.00E+04 5.40E+04 2.06E+05 4.56E+04 1.96E+05 2.11E+05 1.62E+05 2.69E+05 1.77E+05 8.21E+04 8.60E+04 7.72E+04 8.90E+04 3.92E+04 5.37E+04 6.54E+04 5.19E+04 6.17E+04 5.94E+04 4.60E+04 4.48E+04 6.61E+04 7.97E+04 5.64E+04 7.31E+04 7.08E+04 7.81E+04 6.89E+04 7.45E+04 5.74E+04 2.24E+04 6.09E+04 5.22E+04 5.14E+04 3.80E+04 3.06E+04 2.78E+04 3.21E+04 3.79E+04 2.87E+04 1.64E+04 1.95E+04 2.76E+04 3.33E+04 5.56E+04 4.97E+04 5.63E+04 4.62E+04 3.72E+04 4.10E+04 3.23E+04 3.08E+04 2.78E+04 2.59E+04 ADP 2.31E+05 2.99E+05 1.20E+05 2.81E+05 2.76E+05 4.83E+04 8.70E+04 3.14E+04 1.71E+05 3.91E+04 1.21E+05 2.11E+05 6.71E+04 1.64E+05 1.18E+05 3.63E+05 3.36E+05 3.53E+05 4.41E+05 2.52E+05 2.74E+05 2.65E+05 2.55E+05 2.68E+05 2.64E+05 2.30E+05 2.37E+05 2.95E+05 2.40E+05 2.80E+05 1.54E+05 1.42E+05 1.51E+05 1.73E+05 1.52E+05 9.23E+04 9.08E+04 1.20E+05 1.32E+05 1.02E+05 7.87E+04 1.10E+05 8.10E+04 8.03E+04 9.24E+04 8.85E+04 8.52E+04 6.34E+04 8.15E+04 6.02E+04 1.09E+05 1.15E+05 1.09E+05 9.90E+04 1.24E+05 7.31E+04 8.96E+04 8.45E+04 9.47E+04 6.29E+04 GDP 2.98E+04 4.87E+04 2.49E+04 3.48E+04 4.10E+04 9.11E+03 1.49E+04 1.89E+03 1.80E+04 6.22E+03 1.59E+04 1.76E+04 1.10E+04 2.15E+04 2.28E+04 3.98E+04 3.63E+04 3.44E+04 4.58E+04 1.92E+04 2.57E+04 3.04E+04 2.76E+04 2.41E+04 2.44E+04 1.75E+04 2.04E+04 3.41E+04 2.85E+04 2.19E+04 1.62E+04 2.37E+04 2.23E+04 1.98E+04 2.03E+04 2.64E+04 2.43E+04 1.81E+04 2.38E+04 9.37E+03 1.46E+04 1.29E+04 1.10E+04 1.50E+04 5.96E+03 1.01E+04 1.08E+04 5.40E+03 1.29E+04 1.57E+04 1.59E+04 1.53E+04 1.92E+04 2.29E+04 7.36E+03 9.15E+03 1.42E+04 1.64E+04 1.46E+04 4.57E+03 GMP 1.59E+06 1.70E+06 6.84E+05 1.94E+06 1.05E+06 1.41E+06 1.39E+06 3.37E+05 9.36E+05 1.04E+06 1.98E+06 1.53E+06 3.88E+05 1.55E+06 1.80E+06 2.61E+06 2.51E+06 3.13E+06 2.76E+06 2.96E+06 2.03E+06 2.01E+06 2.09E+06 1.95E+06 1.90E+06 2.01E+06 2.46E+06 2.35E+06 2.67E+06 2.42E+06 2.98E+05 2.13E+05 3.87E+05 4.58E+05 6.37E+05 1.98E+05 2.01E+05 1.92E+05 1.78E+05 1.83E+05 1.68E+05 3.47E+05 2.05E+05 2.91E+05 1.71E+05 9.76E+04 1.55E+05 1.30E+05 1.92E+05 1.28E+05 3.13E+05 3.68E+05 4.42E+05 4.92E+05 6.63E+05 1.16E+05 1.75E+05 1.86E+05 1.77E+05 2.17E+05 CTP 2.20E+03 5.00E+03 1.50E+04 5.08E+03 7.32E+03 0.00E+00 1.49E+03 0.00E+00 2.48E+03 0.00E+00 2.54E+03 3.49E+03 4.81E+03 3.83E+03 3.68E+03 6.22E+03 7.17E+03 7.05E+03 6.89E+03 1.04E+03 5.68E+03 7.08E+03 5.58E+03 6.77E+03 6.38E+03 5.06E+03 4.04E+03 6.18E+03 2.97E+03 4.53E+03 1.03E+04 2.23E+04 1.76E+04 1.62E+04 1.29E+04 8.53E+03 1.03E+04 8.62E+03 9.10E+03 8.07E+03 1.64E+04 1.19E+04 8.97E+03 1.10E+04 1.32E+04 5.21E+03 3.86E+03 2.64E+03 3.96E+03 6.58E+03 1.34E+04 1.42E+04 1.06E+04 1.15E+04 1.37E+04 3.60E+03 6.18E+03 6.72E+03 5.13E+03 2.26E+03 CDP 4.38E+04 7.86E+04 2.50E+04 7.49E+04 3.60E+04 3.60E+03 2.71E+04 1.05E+03 1.65E+04 6.42E+03 3.95E+04 4.50E+04 6.31E+03 3.43E+04 3.85E+04 3.05E+04 2.76E+04 2.65E+04 3.49E+04 1.66E+04 2.32E+04 2.34E+04 2.18E+04 2.24E+04 2.46E+04 1.82E+04 1.94E+04 2.82E+04 2.34E+04 1.88E+04 2.53E+04 2.58E+04 1.69E+04 2.79E+04 5.61E+04 2.23E+04 1.14E+04 2.85E+04 1.81E+04 2.29E+04 1.63E+04 1.41E+04 1.80E+04 1.08E+04 1.34E+04 1.08E+04 1.48E+04 1.49E+04 1.72E+04 1.71E+04 1.48E+04 1.75E+04 1.91E+04 1.48E+04 4.34E+04 1.77E+04 1.48E+04 1.41E+04 2.20E+04 1.71E+04 CMP 1.49E+05 1.64E+05 9.40E+04 1.77E+05 1.58E+05 7.75E+04 1.28E+05 4.95E+04 1.05E+05 1.20E+05 1.79E+05 1.57E+05 6.53E+04 1.60E+05 1.89E+05 5.49E+05 5.55E+05 5.80E+05 4.85E+05 5.95E+05 4.45E+05 4.61E+05 4.88E+05 4.50E+05 4.59E+05 5.24E+05 4.96E+05 4.59E+05 5.21E+05 5.70E+05 9.83E+04 1.41E+05 1.17E+05 1.40E+05 1.55E+05 1.26E+05 1.07E+05 1.28E+05 1.34E+05 1.23E+05 9.04E+04 9.90E+04 1.01E+05 9.58E+04 9.97E+04 8.29E+04 1.03E+05 6.79E+04 1.05E+05 9.92E+04 1.20E+05 1.17E+05 9.44E+04 1.13E+05 1.35E+05 9.29E+04 1.02E+05 1.06E+05 1.09E+05 9.85E+04 Cytidine 1.11E+06 9.46E+05 2.09E+05 1.15E+06 3.11E+05 7.26E+05 2.55E+05 1.01E+05 2.08E+05 2.71E+05 9.21E+05 8.02E+05 1.35E+05 4.26E+05 6.12E+05 3.21E+05 2.14E+05 3.64E+05 4.02E+05 4.03E+05 2.77E+05 2.01E+05 2.44E+05 1.40E+05 3.01E+05 3.19E+05 3.26E+05 2.89E+05 2.51E+05 2.71E+05 5.31E+05 4.55E+05 5.37E+05 6.66E+05 8.75E+05 3.84E+05 3.20E+05 3.21E+05 3.72E+05 3.75E+05 2.93E+05 5.28E+05 3.71E+05 3.91E+05 3.42E+05 2.82E+05 2.65E+05 2.38E+05 2.74E+05 2.67E+05 5.15E+05 5.87E+05 5.98E+05 6.19E+05 1.02E+06 3.06E+05 3.22E+05 2.98E+05 2.98E+05 4.16E+05 Thymidine 3.11E+04 3.58E+04 2.62E+04 3.08E+04 2.56E+04 7.52E+04 7.42E+03 7.68E+04 2.17E+04 1.07E+05 4.78E+04 4.13E+04 2.66E+04 4.39E+04 5.13E+04 2.79E+04 2.31E+04 1.82E+04 1.61E+04 3.01E+04 1.88E+04 1.30E+04 2.28E+04 1.94E+04 2.14E+04 2.42E+04 2.15E+04 1.76E+04 1.38E+04 2.15E+04 3.25E+03 3.72E+04 1.10E+04 8.09E+03 0.00E+00 2.93E+03 1.57E+03 2.24E+04 8.78E+03 3.06E+04 0.00E+00 2.63E+04 5.64E+03 6.01E+03 5.91E+03 0.00E+00 9.10E+03 0.00E+00 5.18E+03 2.15E+04 1.22E+04 8.13E+03 2.93E+03 2.52E+03 0.00E+00 1.17E+04 4.81E+03 2.16E+04 5.27E+03 5.32E+03 Thymine 6.47E+04 7.38E+04 1.11E+05 8.43E+04 1.04E+05 6.96E+04 9.51E+04 9.79E+04 1.18E+05 9.31E+04 9.31E+04 8.06E+04 1.17E+05 1.06E+05 1.06E+05 6.91E+04 6.87E+04 8.17E+04 6.58E+04 9.52E+04 6.23E+04 5.44E+04 6.05E+04 5.20E+04 6.01E+04 6.71E+04 8.25E+04 5.23E+04 7.78E+04 7.67E+04 1.02E+05 1.18E+05 1.18E+05 1.09E+05 1.13E+05 1.03E+05 1.08E+05 8.94E+04 1.03E+05 9.55E+04 1.23E+05 9.17E+04 1.11E+05 9.98E+04 1.14E+05 1.06E+05 1.19E+05 1.04E+05 9.63E+04 9.16E+04 1.19E+05 1.03E+05 8.92E+04 1.06E+05 1.11E+05 1.00E+05 1.18E+05 1.04E+05 9.44E+04 1.14E+05 UTP 3.02E+04 4.80E+04 3.00E+04 5.62E+04 4.44E+04 9.52E+03 1.83E+04 1.42E+04 5.39E+04 5.42E+03 3.92E+04 4.96E+04 4.00E+04 6.21E+04 3.90E+04 2.42E+04 2.22E+04 2.33E+04 2.72E+04 1.63E+04 1.93E+04 2.38E+04 1.87E+04 2.01E+04 1.75E+04 1.78E+04 1.36E+04 2.27E+04 2.42E+04 1.84E+04 5.38E+04 3.94E+04 3.72E+04 4.41E+04 3.58E+04 2.77E+04 2.30E+04 2.23E+04 2.40E+04 1.97E+04 2.23E+04 1.97E+04 2.17E+04 2.21E+04 2.24E+04 1.47E+04 1.11E+04 1.11E+04 1.64E+04 1.40E+04 3.74E+04 3.21E+04 2.01E+04 2.88E+04 2.38E+04 1.91E+04 2.12E+04 5.57E+03 1.73E+04 1.38E+04 UMP 1.69E+06 1.60E+06 1.05E+06 1.97E+06 1.53E+06 1.51E+06 1.76E+06 8.98E+05 1.56E+06 1.47E+06 2.17E+06 1.80E+06 9.65E+05 2.09E+06 2.03E+06 3.86E+06 4.49E+06 4.86E+06 3.96E+06 4.88E+06 3.16E+06 3.45E+06 3.20E+06 3.09E+06 3.19E+06 3.90E+06 3.67E+06 3.58E+06 4.00E+06 3.87E+06 1.34E+06 1.16E+06 1.50E+06 1.69E+06 2.15E+06 9.22E+05 8.88E+05 8.37E+05 8.21E+05 9.16E+05 7.98E+05 1.08E+06 8.82E+05 1.02E+06 7.44E+05 5.88E+05 7.07E+05 6.29E+05 7.93E+05 6.57E+05 1.31E+06 1.40E+06 1.35E+06 1.55E+06 1.71E+06 6.34E+05 9.37E+05 7.96E+05 7.44E+05 8.72E+05 Uracil 7.83E+04 9.93E+04 1.33E+05 1.13E+05 1.54E+05 1.01E+05 1.49E+05 1.49E+05 1.68E+05 1.31E+05 1.06E+05 1.15E+05 1.73E+05 1.42E+05 1.48E+05 7.42E+04 8.23E+04 9.07E+04 8.23E+04 1.08E+05 8.32E+04 7.86E+04 7.54E+04 5.39E+04 7.83E+04 7.11E+04 6.41E+04 7.31E+04 8.69E+04 7.80E+04 1.54E+05 1.42E+05 1.60E+05 1.67E+05 1.43E+05 1.38E+05 1.57E+05 1.36E+05 1.39E+05 1.34E+05 1.49E+05 1.36E+05 1.42E+05 1.27E+05 1.30E+05 1.44E+05 1.52E+05 1.60E+05 1.59E+05 1.50E+05 1.58E+05 1.52E+05 1.38E+05 1.33E+05 1.35E+05 1.40E+05 1.39E+05 1.32E+05 1.23E+05 1.48E+05 IMP 1.12E+05 1.51E+05 1.31E+04 2.06E+05 5.54E+04 1.12E+05 3.17E+04 0.00E+00 5.24E+04 4.04E+04 2.91E+05 2.09E+05 7.94E+03 1.36E+05 1.07E+05 5.94E+06 5.60E+06 7.05E+06 6.55E+06 7.86E+06 4.26E+06 3.34E+06 3.62E+06 3.99E+06 4.45E+06 4.22E+06 4.31E+06 4.73E+06 4.20E+06 4.55E+06 3.86E+03 0.00E+00 7.27E+03 0.00E+00 7.21E+03 0.00E+00 0.00E+00 6.17E+03 0.00E+00 0.00E+00 0.00E+00 5.43E+03 0.00E+00 1.20E+04 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 9.52E+03 1.60E+04 2.28E+04 0.00E+00 0.00E+00 0.00E+00 2.63E+02 0.00E+00 Inosine 2.13E+06 6.44E+05 2.51E+05 1.36E+06 1.06E+06 1.65E+06 3.04E+05 1.72E+06 5.99E+05 1.67E+06 1.12E+06 8.78E+05 2.41E+05 1.08E+06 7.81E+05 7.51E+04 6.44E+04 1.13E+05 1.12E+05 1.31E+05 6.38E+04 5.89E+04 7.31E+04 4.51E+04 7.68E+04 7.04E+04 8.62E+04 6.68E+04 6.89E+04 6.88E+04 1.76E+05 1.16E+05 1.65E+05 2.29E+05 2.37E+05 1.49E+05 1.65E+05 1.25E+05 1.97E+05 1.51E+05 7.49E+04 4.38E+04 4.85E+04 5.08E+04 5.46E+04 6.55E+04 5.57E+04 4.64E+04 7.53E+04 3.37E+04 1.11E+05 8.47E+04 9.01E+04 1.15E+05 1.33E+05 4.02E+04 8.30E+04 6.48E+04 6.99E+04 9.49E+04 Xanthine 2.89E+06 1.30E+06 7.42E+05 2.43E+06 1.55E+06 1.67E+06 7.10E+05 8.78E+05 1.40E+06 1.10E+06 2.23E+06 1.84E+06 8.82E+05 1.64E+06 1.72E+06 2.26E+05 3.04E+05 4.53E+05 5.40E+05 4.83E+05 2.90E+05 1.43E+05 1.73E+05 2.58E+05 1.52E+05 2.48E+05 2.21E+05 2.76E+05 2.59E+05 2.81E+05 5.04E+05 5.42E+05 4.55E+05 6.13E+05 6.18E+05 3.15E+05 4.07E+05 4.52E+05 4.91E+05 4.08E+05 2.52E+05 2.64E+05 1.74E+05 1.89E+05 1.85E+05 2.31E+05 2.26E+05 1.72E+05 2.36E+05 1.66E+05 3.27E+05 2.90E+05 2.69E+05 3.86E+05 4.41E+05 2.04E+05 2.96E+05 3.03E+05 2.64E+05 3.30E+05 (S)(+)-Allantoin 3.76E+04 2.50E+04 1.38E+04 2.66E+04 2.50E+04 1.59E+04 2.50E+03 1.66E+04 1.25E+04 1.36E+04 2.42E+04 1.94E+04 1.43E+04 1.30E+04 1.69E+04 1.58E+05 1.52E+05 1.87E+05 1.75E+05 2.95E+05 1.29E+05 1.30E+05 1.33E+05 1.33E+05 1.23E+05 1.83E+05 2.28E+05 1.46E+05 1.79E+05 1.67E+05 3.82E+03 2.81E+03 0.00E+00 2.25E+03 6.88E+03 5.91E+03 0.00E+00 0.00E+00 4.92E+03 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 4.13E+03 2.22E+03 0.00E+00 0.00E+00 2.89E+03 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 Urate 1.35E+06 1.67E+06 5.89E+05 2.04E+06 1.01E+06 1.44E+06 1.77E+06 4.56E+05 1.54E+06 9.17E+05 2.43E+06 2.16E+06 6.94E+05 1.63E+06 2.01E+06 1.53E+06 1.49E+06 1.73E+06 1.72E+06 2.65E+06 1.03E+06 1.14E+06 9.62E+05 8.67E+05 1.28E+06 1.41E+06 1.43E+06 1.16E+06 1.21E+06 1.20E+06 3.58E+05 2.98E+05 3.54E+05 3.89E+05 4.93E+05 2.25E+05 2.09E+05 2.28E+05 2.68E+05 2.06E+05 1.15E+05 2.14E+05 1.18E+05 1.38E+05 1.18E+05 1.26E+05 1.05E+05 1.21E+05 1.62E+05 9.58E+04 3.45E+05 2.46E+05 1.93E+05 2.50E+05 2.73E+05 1.07E+05 1.50E+05 1.42E+05 1.23E+05 3.28E+05 Adenylosuccinic acid 9.37E+03 1.09E+04 3.50E+03 1.29E+04 6.74E+03 7.73E+03 4.87E+03 3.30E+03 7.70E+03 7.26E+03 1.35E+04 8.66E+03 3.20E+03 8.58E+03 5.02E+03 5.02E+04 6.24E+04 5.10E+04 4.84E+04 2.82E+04 3.35E+04 4.18E+04 4.05E+04 3.85E+04 4.40E+04 4.44E+04 4.05E+04 4.54E+04 4.00E+04 4.41E+04 7.89E+03 6.17E+03 3.67E+03 2.94E+03 7.98E+03 3.97E+03 4.47E+03 4.80E+03 2.80E+03 3.83E+03 2.15E+03 3.39E+03 3.33E+03 3.12E+03 2.98E+03 1.89E+03 1.49E+03 1.59E+03 9.60E+02 4.41E+02 7.68E+03 8.29E+03 3.56E+03 3.74E+03 4.70E+03 2.64E+03 1.50E+03 1.21E+03 1.83E+03 1.93E+03 UDP-glucose 3.20E+05 2.95E+05 1.91E+05 2.87E+05 2.89E+05 2.82E+05 2.74E+05 2.61E+05 3.13E+05 2.27E+05 3.07E+05 2.57E+05 2.27E+05 2.94E+05 2.71E+05 3.68E+05 3.82E+05 3.58E+05 3.97E+05 3.54E+05 2.28E+05 2.64E+05 2.38E+05 2.39E+05 2.64E+05 2.48E+05 2.43E+05 2.64E+05 2.67E+05 2.39E+05 5.16E+04 5.86E+04 5.37E+04 5.93E+04 4.62E+04 4.75E+04 3.61E+04 3.65E+04 4.18E+04 3.42E+04 2.80E+04 3.40E+04 3.00E+04 3.07E+04 3.13E+04 2.60E+04 2.68E+04 2.28E+04 2.92E+04 3.04E+04 3.33E+04 4.00E+04 3.38E+04 3.15E+04 2.90E+04 2.76E+04 3.05E+04 3.20E+04 2.69E+04 3.17E+04 ADP-D-ribose 6.31E+05 5.14E+05 3.13E+05 5.44E+05 4.32E+05 4.62E+05 4.16E+05 4.27E+05 4.47E+05 4.64E+05 5.22E+05 5.18E+05 3.75E+05 4.66E+05 4.62E+05 1.80E+04 2.80E+03 7.87E+03 1.60E+04 5.78E+03 9.09E+03 1.18E+04 1.99E+04 2.61E+03 7.19E+03 8.35E+03 1.02E+04 7.00E+03 1.37E+04 4.16E+03 1.21E+05 1.44E+05 1.23E+05 1.19E+05 1.24E+05 1.39E+04 3.92E+04 8.73E+04 3.56E+04 2.39E+04 5.59E+04 8.91E+04 8.56E+04 8.81E+04 8.78E+04 1.50E+04 3.37E+04 3.55E+04 8.96E+03 3.84E+04 8.89E+04 1.05E+05 7.53E+04 8.13E+04 8.86E+04 2.11E+04 4.53E+04 4.31E+04 2.10E+04 3.78E+04 NADPH 1.49E+03 5.93E+03 2.37E+03 5.54E+03 2.19E+03 4.29E+02 2.30E+03 0.00E+00 7.03E+03 0.00E+00 2.89E+04 1.75E+04 2.19E+04 1.79E+04 2.27E+04 1.57E+04 2.04E+04 2.42E+04 2.49E+04 1.55E+04 1.28E+04 1.36E+04 1.13E+04 1.22E+04 1.22E+04 1.53E+04 1.40E+04 2.15E+04 1.60E+04 1.64E+04 6.29E+02 4.07E+02 8.94E+02 0.00E+00 9.23E+02 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 3.37E+02 0.00E+00 6.49E+02 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 1.62E+03 2.47E+03 1.25E+03 3.11E+03 1.49E+03 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 NADH 0.00E+00 3.82E+03 0.00E+00 0.00E+00 0.00E+00 0.00E+00 7.95E+04 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 2.80E+03 1.05E+04 1.85E+04 1.80E+04 1.57E+04 1.89E+04 1.20E+04 3.27E+03 1.06E+04 6.89E+03 7.29E+03 1.06E+04 1.30E+04 1.16E+04 1.18E+04 9.68E+03 2.97E+04 6.66E+04 7.45E+04 7.86E+04 6.49E+04 2.32E+04 6.56E+04 1.69E+05 7.75E+04 5.93E+04 2.19E+04 1.78E+05 4.74E+04 0.00E+00 4.35E+04 3.02E+04 5.70E+04 4.50E+04 2.46E+04 2.57E+04 2.73E+04 2.22E+04 7.43E+03 1.01E+05 3.81E+04 6.45E+03 6.07E+04 8.90E+04 3.27E+04 5.63E+04 Diphosphate 7.37E+06 8.96E+06 1.63E+07 9.68E+06 1.51E+07 9.54E+06 1.28E+07 2.15E+07 1.33E+07 1.38E+07 1.02E+07 1.13E+07 2.02E+07 1.43E+07 1.08E+07 1.21E+06 1.42E+06 1.25E+06 1.17E+06 6.62E+05 7.86E+05 7.65E+05 7.99E+05 8.61E+05 8.83E+05 6.85E+05 6.90E+05 8.72E+05 8.23E+05 8.56E+05 1.67E+07 1.91E+07 1.49E+07 1.50E+07 1.41E+07 1.73E+07 1.71E+07 1.74E+07 1.99E+07 1.64E+07 1.99E+07 1.37E+07 1.74E+07 1.58E+07 1.82E+07 1.76E+07 1.86E+07 1.89E+07 1.59E+07 1.71E+07 1.57E+07 1.66E+07 1.52E+07 1.56E+07 1.38E+07 1.70E+07 1.87E+07 1.62E+07 1.82E+07 1.59E+07 D-Glucose 8.99E+05 6.52E+05 9.87E+05 8.40E+05 7.98E+05 5.50E+05 7.50E+05 1.11E+06 8.83E+05 6.49E+05 6.00E+05 6.57E+05 9.40E+05 1.02E+06 7.93E+05 8.43E+06 8.45E+06 1.05E+07 8.81E+06 1.71E+07 6.24E+06 7.68E+06 6.14E+06 6.17E+06 6.08E+06 1.01E+07 1.04E+07 7.45E+06 9.71E+06 9.73E+06 1.61E+05 1.18E+05 1.36E+05 1.56E+05 1.83E+05 3.05E+05 3.60E+05 3.41E+05 3.34E+05 3.06E+05 9.31E+04 9.43E+04 8.20E+04 5.70E+04 6.87E+04 3.12E+05 2.02E+05 2.05E+05 2.67E+05 1.52E+05 8.88E+04 9.17E+04 7.03E+04 1.06E+05 1.54E+05 2.19E+05 3.20E+05 2.71E+05 2.52E+05 3.10E+05 D-Glucose 6/1-phosphate 8.52E+05 9.29E+05 6.53E+05 1.11E+06 8.56E+05 6.51E+05 3.41E+05 6.35E+05 3.89E+05 5.53E+05 9.93E+05 1.65E+06 7.89E+05 8.88E+05 1.21E+06 1.59E+05 1.57E+05 1.68E+05 1.88E+05 1.58E+05 1.41E+05 1.35E+05 1.35E+05 1.26E+05 1.45E+05 1.48E+05 1.53E+05 1.47E+05 1.46E+05 1.52E+05 1.75E+05 1.60E+05 1.38E+05 1.54E+05 1.37E+05 1.36E+05 1.14E+05 1.48E+05 1.64E+05 1.60E+05 8.83E+04 1.04E+05 5.16E+04 8.08E+04 8.12E+04 9.33E+04 1.11E+05 5.44E+04 9.32E+04 7.53E+04 8.86E+04 9.70E+04 8.22E+04 9.90E+04 9.16E+04 1.03E+05 9.60E+04 1.08E+05 1.01E+05 1.07E+05 D-Fructose 1-6-bisphosphate 2.23E+05 2.30E+05 1.48E+05 2.72E+05 2.00E+05 9.74E+04 1.66E+05 1.09E+05 1.92E+05 6.62E+04 2.55E+05 2.33E+05 2.20E+05 2.40E+05 2.74E+05 2.32E+05 1.89E+05 1.65E+05 2.33E+05 2.14E+04 1.45E+05 1.79E+05 1.53E+05 1.87E+05 1.83E+05 9.04E+04 8.47E+04 2.07E+05 1.89E+05 1.49E+05 5.35E+04 5.45E+04 5.42E+04 5.58E+04 4.91E+04 6.06E+04 6.75E+04 6.50E+04 7.10E+04 6.42E+04 3.04E+04 4.28E+04 3.94E+04 3.28E+04 3.61E+04 3.80E+04 4.03E+04 3.96E+04 3.79E+04 3.89E+04 4.29E+04 4.21E+04 3.92E+04 4.47E+04 3.58E+04 5.72E+04 4.42E+04 4.43E+04 4.08E+04 4.61E+04 D-Glyceraldehyde 3-phosphate/Glycerone phosphate 1.02E+05 8.63E+04 8.81E+04 1.10E+05 9.01E+04 8.91E+04 7.54E+04 2.14E+05 6.75E+04 7.66E+04 8.44E+04 1.22E+05 1.70E+05 1.07E+05 1.38E+05 3.75E+04 1.31E+04 2.05E+04 2.70E+04 1.94E+04 3.78E+04 1.60E+04 1.52E+04 1.31E+04 1.82E+04 3.96E+04 3.09E+04 2.06E+04 2.09E+04 1.66E+04 1.79E+04 2.44E+04 2.74E+04 2.95E+04 1.67E+04 4.38E+04 3.97E+04 3.82E+04 5.57E+04 4.02E+04 9.12E+03 1.42E+04 1.16E+04 1.01E+04 1.75E+04 1.91E+04 1.34E+04 1.53E+04 1.33E+04 1.10E+04 1.99E+04 1.31E+04 1.56E+04 1.40E+04 1.64E+04 1.74E+04 2.49E+04 2.28E+04 1.35E+04 2.33E+04 2/3-Phospho-D-glycerate 3.78E+06 3.92E+06 4.54E+06 5.02E+06 4.52E+06 2.84E+06 4.13E+06 3.65E+06 5.17E+06 2.61E+06 5.07E+06 5.18E+06 5.64E+06 6.89E+06 5.35E+06 3.04E+05 1.12E+05 1.39E+05 1.89E+05 8.35E+04 1.35E+05 2.33E+05 2.36E+05 1.29E+05 1.42E+05 2.33E+05 1.49E+05 1.24E+05 2.96E+05 1.22E+05 1.82E+05 1.78E+05 1.69E+05 1.65E+05 1.85E+05 1.26E+05 1.04E+05 1.24E+05 1.38E+05 1.11E+05 9.13E+04 9.24E+04 5.40E+04 8.21E+04 7.37E+04 7.84E+04 6.37E+04 5.81E+04 8.95E+04 5.94E+04 1.22E+05 1.19E+05 8.66E+04 9.49E+04 9.45E+04 7.62E+04 7.75E+04 9.15E+04 8.05E+04 8.05E+04 Phosphoenolpyruvate 2.92E+05 3.05E+05 5.43E+05 3.30E+05 3.26E+05 2.00E+05 6.62E+05 2.26E+05 4.70E+05 1.48E+05 4.98E+05 3.77E+05 6.81E+05 5.59E+05 5.96E+05 2.56E+04 2.56E+04 8.62E+03 7.99E+03 6.89E+03 3.07E+03 1.18E+04 1.65E+04 8.58E+03 1.07E+04 2.26E+04 4.08E+03 5.87E+03 2.62E+04 1.04E+04 9.59E+03 2.60E+04 1.46E+04 1.90E+04 1.60E+04 1.12E+04 1.37E+04 1.77E+04 1.83E+04 4.35E+03 1.15E+04 1.45E+04 4.01E+03 2.23E+04 1.35E+04 7.97E+03 1.19E+04 1.29E+04 1.72E+04 2.57E+04 1.54E+04 1.68E+04 2.90E+04 1.26E+04 1.60E+04 1.84E+04 6.83E+03 1.30E+04 8.50E+03 6.93E+03 Pyruvate 4.20E+05 4.63E+05 2.85E+05 6.15E+05 5.42E+05 2.97E+05 2.39E+05 3.49E+05 5.88E+05 4.07E+05 4.67E+05 5.60E+05 3.29E+05 6.03E+05 3.64E+05 1.96E+06 2.40E+06 3.51E+06 2.63E+06 7.85E+06 2.03E+06 2.08E+06 1.39E+06 1.53E+06 1.78E+06 3.18E+06 3.98E+06 1.86E+06 3.00E+06 3.04E+06 1.76E+05 1.78E+05 1.57E+05 1.75E+05 2.18E+05 2.51E+05 2.51E+05 2.77E+05 2.49E+05 2.31E+05 1.84E+05 1.91E+05 3.15E+05 1.90E+05 1.69E+05 3.75E+05 2.28E+05 2.67E+05 4.49E+05 1.89E+05 2.28E+05 1.95E+05 2.06E+05 1.82E+05 1.94E+05 2.18E+05 2.34E+05 2.57E+05 1.83E+05 1.92E+05 Lactate 2.18E+06 3.32E+06 2.48E+06 4.07E+06 3.00E+06 3.81E+06 3.13E+06 2.83E+06 7.98E+06 3.68E+06 2.72E+06 2.90E+06 2.71E+06 3.00E+06 2.55E+06 9.50E+06 7.86E+06 1.05E+07 1.03E+07 1.65E+07 6.74E+06 6.44E+06 6.61E+06 5.65E+06 6.46E+06 7.88E+06 9.88E+06 7.60E+06 8.02E+06 8.72E+06 1.82E+06 1.14E+06 9.22E+05 1.23E+06 1.52E+06 2.24E+06 1.64E+06 2.37E+06 2.04E+06 2.09E+06 7.44E+05 1.15E+06 1.46E+06 8.24E+05 8.42E+05 1.83E+06 2.48E+06 1.18E+06 2.03E+06 1.11E+06 1.23E+06 9.39E+05 9.39E+05 1.04E+06 1.59E+06 1.50E+06 1.58E+06 1.78E+06 1.28E+06 1.73E+06 Maltose 4.52E+04 2.92E+05 2.60E+04 9.98E+04 7.39E+04 4.46E+04 3.87E+04 3.47E+04 5.90E+04 5.01E+04 2.94E+04 3.95E+04 3.45E+04 3.23E+04 2.55E+04 5.32E+04 5.05E+04 8.93E+04 7.67E+04 8.84E+04 6.15E+04 6.52E+04 5.42E+05 4.62E+04 5.47E+04 8.07E+04 9.00E+04 8.65E+04 5.99E+04 2.66E+05 1.15E+04 0.00E+00 6.24E+03 3.15E+03 1.91E+04 2.78E+03 9.45E+03 0.00E+00 0.00E+00 4.11E+03 3.42E+03 0.00E+00 6.62E+03 2.18E+03 2.30E+03 3.56E+03 6.60E+05 2.86E+03 0.00E+00 4.91E+03 4.83E+03 0.00E+00 4.58E+03 3.71E+03 7.32E+03 0.00E+00 4.05E+03 0.00E+00 5.05E+03 4.08E+03 Mannitol/Sorbitol 2.11E+05 1.04E+05 1.29E+05 1.38E+05 1.43E+05 1.44E+05 2.88E+05 1.52E+05 1.61E+05 1.35E+05 1.74E+05 1.41E+05 1.39E+05 1.56E+05 1.35E+05 7.70E+05 6.60E+05 1.09E+06 1.08E+06 1.34E+06 4.86E+05 1.04E+06 1.02E+06 9.07E+05 4.27E+05 7.62E+05 6.48E+05 7.71E+05 7.15E+05 7.83E+05 1.03E+05 2.22E+05 1.03E+05 1.19E+05 1.34E+05 1.45E+05 1.10E+05 2.01E+05 1.28E+05 9.65E+04 6.79E+04 2.66E+05 1.13E+05 1.25E+05 1.36E+05 1.06E+05 1.15E+05 1.13E+05 8.52E+04 1.65E+05 1.37E+05 1.37E+05 2.29E+05 1.49E+05 1.25E+05 1.26E+05 9.50E+04 2.63E+05 7.71E+04 1.43E+05 D-Ribose 9.94E+04 6.10E+04 2.36E+04 6.36E+04 5.08E+04 5.99E+04 4.54E+05 4.24E+04 6.46E+04 7.13E+04 7.28E+04 6.21E+04 3.92E+04 7.80E+04 5.86E+04 1.97E+05 2.20E+05 2.47E+05 2.02E+05 4.67E+05 1.80E+05 1.89E+05 1.28E+05 1.37E+05 1.33E+05 2.52E+05 2.58E+05 1.75E+05 2.53E+05 2.22E+05 1.20E+05 1.16E+05 1.02E+05 1.06E+05 1.76E+05 1.28E+05 8.11E+04 1.72E+05 1.39E+05 1.10E+05 8.16E+04 1.82E+05 1.99E+05 1.28E+05 1.20E+05 1.06E+05 1.25E+05 6.87E+04 9.71E+04 1.01E+05 1.41E+05 1.11E+05 2.07E+05 1.47E+05 1.33E+05 1.02E+05 1.20E+05 1.68E+05 1.10E+05 1.31E+05 D-Rhamnose 9.60E+04 8.06E+04 8.11E+04 9.49E+04 1.12E+05 6.94E+04 4.08E+05 8.54E+04 1.02E+05 9.92E+04 1.15E+05 1.18E+05 9.37E+04 1.20E+05 1.21E+05 1.17E+06 7.45E+05 5.67E+05 1.74E+06 1.24E+06 1.96E+05 8.93E+05 1.33E+06 8.47E+05 9.69E+04 4.03E+05 6.89E+05 1.09E+06 7.28E+05 3.35E+05 1.28E+05 2.12E+05 1.57E+05 1.47E+05 2.30E+05 1.30E+05 1.17E+05 3.59E+05 1.28E+05 1.32E+05 1.06E+05 3.79E+05 1.70E+05 1.68E+05 1.62E+05 1.40E+05 1.28E+05 1.10E+05 7.86E+04 1.56E+05 1.20E+05 1.40E+05 2.34E+05 2.32E+05 1.24E+05 8.45E+04 1.89E+05 3.13E+05 1.33E+05 1.77E+05 D-Arabitol 7.90E+03 3.56E+03 6.52E+03 7.04E+03 7.50E+03 4.58E+03 4.16E+03 6.94E+03 1.32E+04 7.39E+03 1.02E+04 2.80E+03 4.89E+03 9.87E+03 4.46E+03 5.40E+04 1.62E+04 3.28E+04 4.15E+04 7.13E+04 2.67E+04 2.42E+04 5.44E+04 2.58E+04 1.95E+04 3.53E+04 5.04E+04 4.02E+04 4.55E+04 2.59E+04 2.11E+05 1.89E+05 1.63E+05 2.05E+05 2.23E+05 2.93E+05 2.31E+05 2.73E+05 2.66E+05 3.00E+05 8.04E+04 8.89E+04 7.65E+04 7.26E+04 8.25E+04 1.09E+05 1.35E+05 1.04E+05 1.16E+05 1.29E+05 1.34E+05 1.39E+05 1.08E+05 1.35E+05 1.43E+05 1.58E+05 2.05E+05 1.40E+05 1.71E+05 1.58E+05 Citrate 2.18E+06 1.55E+06 2.06E+06 1.96E+06 2.57E+06 2.81E+06 2.87E+06 3.97E+06 2.81E+06 2.60E+06 2.63E+06 3.20E+06 3.32E+06 2.71E+06 2.99E+06 1.31E+07 5.48E+06 6.65E+06 5.88E+06 8.53E+06 4.47E+06 4.13E+06 3.56E+06 3.47E+06 3.58E+06 6.24E+06 6.37E+06 4.42E+06 5.85E+06 5.59E+06 3.97E+06 4.65E+06 3.57E+06 4.36E+06 4.47E+06 3.90E+06 1.65E+07 4.32E+06 4.27E+06 4.33E+06 3.37E+06 3.17E+06 3.05E+06 2.61E+06 2.85E+06 2.99E+06 3.00E+06 2.86E+06 2.82E+06 2.73E+06 3.79E+06 3.69E+06 3.23E+06 3.40E+06 3.50E+06 3.09E+06 3.85E+06 3.03E+06 3.44E+06 3.17E+06 2-Oxoglutarate 2.36E+04 2.23E+04 3.15E+04 2.97E+04 3.86E+04 2.11E+04 7.09E+04 2.69E+04 3.86E+04 2.91E+04 3.37E+04 2.29E+04 3.05E+04 4.20E+04 2.37E+04 1.10E+05 6.03E+04 7.79E+04 8.41E+04 9.38E+04 6.03E+04 1.19E+05 1.09E+05 6.58E+04 9.54E+04 1.05E+05 1.01E+05 7.99E+04 1.22E+05 8.88E+04 5.55E+04 8.53E+04 6.45E+04 6.44E+04 7.96E+04 5.49E+04 5.09E+04 1.10E+05 4.59E+04 5.56E+04 1.31E+05 2.36E+05 9.98E+04 7.62E+04 8.35E+04 8.65E+04 5.54E+04 5.05E+04 8.13E+04 4.92E+04 6.09E+04 4.07E+04 7.46E+04 5.83E+04 7.50E+04 8.74E+04 4.19E+04 1.17E+05 4.46E+04 4.55E+04 2-Oxoglutaramate 1.66E+04 2.32E+04 2.52E+04 1.89E+04 2.69E+04 2.58E+04 3.39E+04 2.37E+04 5.65E+04 3.05E+04 2.39E+04 1.95E+04 1.98E+04 2.38E+04 2.45E+04 3.31E+04 3.61E+04 3.79E+04 4.74E+04 6.85E+04 2.17E+04 3.04E+04 1.98E+04 2.04E+04 2.20E+04 4.04E+04 3.82E+04 1.81E+04 3.87E+04 3.60E+04 2.01E+04 1.98E+04 2.01E+04 3.61E+04 4.71E+04 2.16E+04 3.25E+04 3.01E+04 2.84E+04 2.77E+04 2.54E+04 4.45E+04 1.98E+04 1.58E+04 1.71E+04 3.87E+04 3.69E+04 3.40E+04 4.10E+04 1.85E+04 3.03E+04 2.00E+04 3.33E+04 3.77E+04 1.85E+04 1.91E+04 2.61E+04 5.31E+04 1.33E+04 3.77E+04 Succinate 5.55E+05 5.63E+05 7.12E+05 7.29E+05 8.52E+05 5.01E+05 1.56E+06 6.72E+05 6.03E+05 6.02E+05 5.78E+05 5.16E+05 4.99E+05 6.13E+05 4.64E+05 7.69E+05 6.17E+05 8.09E+05 9.39E+05 1.21E+06 8.02E+05 7.33E+05 6.48E+05 6.29E+05 6.39E+05 8.58E+05 8.10E+05 7.83E+05 8.20E+05 7.28E+05 1.36E+06 2.43E+06 1.51E+06 1.60E+06 1.69E+06 1.06E+06 1.15E+06 3.59E+06 1.47E+06 2.02E+06 1.01E+06 3.16E+06 1.19E+06 1.80E+06 1.13E+06 1.45E+06 2.12E+06 9.28E+05 9.71E+05 1.44E+06 1.42E+06 1.21E+06 1.85E+06 1.46E+06 1.15E+06 1.48E+06 1.26E+06 2.98E+06 9.43E+05 9.75E+05 Fumarate 2.56E+05 2.72E+05 2.09E+05 3.21E+05 3.41E+05 3.11E+05 5.66E+05 3.17E+05 4.12E+05 3.02E+05 3.97E+05 3.19E+05 2.83E+05 4.07E+05 3.15E+05 2.24E+05 2.71E+05 2.93E+05 2.48E+05 3.67E+05 1.75E+05 1.93E+05 1.62E+05 1.65E+05 1.81E+05 2.59E+05 3.02E+05 1.98E+05 2.50E+05 2.55E+05 2.86E+05 4.09E+05 3.21E+05 3.61E+05 3.25E+05 2.17E+05 1.98E+05 3.72E+05 1.86E+05 2.07E+05 2.42E+05 1.35E+06 2.14E+05 2.38E+05 2.16E+05 1.39E+05 1.90E+05 1.49E+05 1.61E+05 1.61E+05 2.98E+05 2.16E+05 2.26E+05 2.12E+05 2.66E+05 1.52E+05 1.65E+05 5.19E+05 1.28E+05 1.36E+05 Malate 2.51E+06 3.09E+06 2.42E+06 3.44E+06 4.11E+06 3.39E+06 3.86E+06 3.90E+06 4.59E+06 3.42E+06 4.80E+06 3.97E+06 3.19E+06 4.72E+06 3.70E+06 1.34E+06 1.87E+06 1.99E+06 1.62E+06 3.00E+06 8.42E+05 1.13E+06 1.03E+06 9.22E+05 1.05E+06 1.71E+06 1.96E+06 1.19E+06 1.75E+06 1.62E+06 3.78E+06 4.88E+06 3.75E+06 3.98E+06 4.16E+06 2.07E+06 2.20E+06 3.33E+06 2.27E+06 2.52E+06 2.69E+06 3.92E+06 2.56E+06 2.67E+06 2.66E+06 1.76E+06 2.10E+06 1.65E+06 1.73E+06 1.59E+06 3.48E+06 2.96E+06 2.87E+06 3.23E+06 3.16E+06 1.70E+06 1.76E+06 2.58E+06 1.70E+06 1.69E+06 Oxaloacetate 4.07E+04 2.55E+04 2.48E+04 2.86E+04 3.71E+04 1.08E+04 2.01E+04 3.64E+04 2.86E+04 2.37E+04 3.29E+04 4.30E+04 3.04E+04 3.16E+04 4.25E+04 7.82E+03 2.69E+03 4.63E+03 1.00E+04 1.35E+04 3.43E+03 9.73E+03 4.10E+03 6.92E+03 2.36E+03 4.93E+03 8.48E+03 1.03E+04 6.27E+03 7.21E+03 2.72E+04 3.78E+04 2.44E+04 1.69E+04 2.06E+04 3.41E+04 1.29E+04 2.59E+04 2.35E+04 2.16E+04 2.65E+04 2.21E+04 1.03E+04 1.73E+04 3.40E+04 1.80E+04 2.16E+04 2.81E+04 2.62E+04 2.17E+04 3.00E+04 2.52E+04 2.05E+04 1.88E+04 1.76E+04 1.80E+04 2.27E+04 2.88E+04 2.21E+04 2.70E+04 2-Hydroxyglutarate/Citramalate 3.09E+05 3.81E+05 4.35E+05 3.85E+05 4.86E+05 3.98E+05 4.59E+05 4.70E+05 4.32E+05 4.51E+05 4.88E+05 4.33E+05 4.24E+05 5.44E+05 4.41E+05 1.56E+05 1.96E+05 1.72E+05 1.33E+05 2.95E+05 9.53E+04 9.97E+04 9.67E+04 9.40E+04 1.00E+05 1.44E+05 1.71E+05 1.15E+05 1.46E+05 1.40E+05 5.40E+05 7.08E+05 5.94E+05 5.70E+05 5.69E+05 4.54E+05 3.73E+05 5.76E+05 4.87E+05 4.83E+05 5.21E+05 5.39E+05 4.11E+05 5.25E+05 5.01E+05 4.22E+05 5.69E+05 2.87E+05 3.19E+05 2.95E+05 5.03E+05 4.76E+05 5.18E+05 4.42E+05 4.67E+05 3.84E+05 3.58E+05 4.70E+05 2.90E+05 3.44E+05 6-Phospho-D-gluconate 3.68E+05 2.72E+05 1.28E+05 3.53E+05 2.66E+05 3.00E+05 1.93E+05 1.42E+05 2.86E+05 1.94E+05 1.10E+06 9.33E+05 6.35E+05 1.13E+06 1.19E+06 7.80E+03 2.62E+04 6.11E+03 2.64E+03 6.20E+03 8.88E+03 1.31E+04 5.80E+03 2.27E+04 1.01E+04 4.85E+03 7.34E+03 1.10E+04 2.36E+04 1.12E+04 5.10E+03 3.84E+03 4.47E+03 9.03E+03 9.04E+03 1.95E+04 2.04E+04 1.90E+04 1.69E+04 2.54E+04 4.16E+03 1.66E+03 9.30E+02 8.95E+02 8.65E+02 1.29E+04 9.78E+03 1.44E+04 1.46E+04 1.41E+04 4.34E+03 3.15E+03 1.15E+03 4.86E+02 5.96E+03 2.54E+04 2.33E+04 2.95E+04 2.78E+04 3.68E+04 D-Erythrose 4-phosphate 8.93E+04 5.62E+04 2.98E+04 1.03E+05 6.41E+04 3.81E+04 2.31E+04 4.48E+04 3.07E+04 5.67E+04 7.44E+04 6.57E+04 2.02E+04 5.38E+04 4.83E+04 1.04E+05 5.62E+04 6.82E+04 6.48E+04 4.07E+04 8.82E+04 5.06E+04 7.52E+04 8.24E+04 7.95E+04 1.01E+05 9.95E+04 9.12E+04 6.94E+04 9.84E+04 3.70E+04 1.99E+04 4.14E+04 3.37E+04 5.74E+04 5.69E+04 3.10E+04 2.89E+04 5.13E+04 4.11E+04 4.18E+04 6.63E+03 4.63E+04 2.95E+04 2.92E+04 6.85E+04 4.13E+04 2.85E+04 2.99E+04 1.92E+04 4.23E+04 2.82E+04 4.46E+04 5.26E+04 3.81E+04 2.99E+04 4.60E+04 5.42E+04 3.78E+04 5.29E+04 Sedoheptulose 1/7-phosphate 2.26E+05 2.85E+05 1.26E+05 3.80E+05 2.32E+05 2.70E+05 2.87E+05 1.29E+05 3.90E+05 2.52E+05 5.67E+05 3.98E+05 1.92E+05 5.39E+05 3.51E+05 7.62E+04 6.53E+04 8.39E+04 9.77E+04 9.50E+04 6.25E+04 7.14E+04 6.75E+04 5.94E+04 5.72E+04 7.04E+04 7.18E+04 5.79E+04 7.53E+04 6.57E+04 1.80E+04 2.33E+04 1.92E+04 2.66E+04 1.76E+04 1.04E+04 7.56E+03 7.46E+03 7.61E+03 8.13E+03 1.41E+03 9.06E+03 1.46E+03 4.75E+03 4.14E+03 4.14E+03 6.23E+03 4.04E+03 4.71E+03 2.32E+03 6.53E+03 3.69E+03 9.12E+03 4.86E+03 7.95E+03 6.79E+03 7.80E+03 1.44E+04 0.00E+00 3.66E+03 alpha-D-Ribose 1-phosphate 3.16E+06 2.93E+06 2.58E+06 3.61E+06 3.02E+06 3.26E+06 3.57E+06 2.97E+06 3.42E+06 2.43E+06 3.47E+06 3.88E+06 3.35E+06 4.25E+06 3.79E+06 1.66E+05 1.36E+05 1.53E+05 1.72E+05 1.87E+05 1.27E+05 1.12E+05 1.25E+05 1.14E+05 1.12E+05 1.16E+05 1.20E+05 1.08E+05 1.53E+05 1.30E+05 1.01E+06 9.76E+05 9.45E+05 1.19E+06 1.01E+06 7.01E+05 7.21E+05 7.91E+05 8.57E+05 7.51E+05 6.32E+05 6.43E+05 5.52E+05 5.98E+05 5.58E+05 3.81E+05 4.73E+05 3.18E+05 4.67E+05 3.66E+05 7.02E+05 7.80E+05 7.78E+05 6.99E+05 9.12E+05 3.69E+05 5.28E+05 5.04E+05 4.71E+05 4.67E+05 5-Phospho-alpha-D-ribose 1-diphosphate 8.48E+03 3.52E+04 1.69E+04 2.24E+04 1.08E+04 3.86E+03 2.94E+04 3.19E+03 3.37E+04 3.73E+03 4.93E+04 3.99E+04 2.42E+04 5.61E+04 6.66E+04 1.54E+03 5.15E+03 7.35E+03 4.68E+03 6.77E+02 4.98E+03 1.73E+03 4.38E+03 5.73E+03 5.10E+03 9.42E+02 1.98E+03 4.14E+03 3.63E+03 4.50E+03 0.00E+00 1.00E+03 1.05E+03 0.00E+00 0.00E+00 0.00E+00 5.65E+02 0.00E+00 5.78E+02 4.33E+02 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 7.86E+02 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 Glutathione disulfide 9.47E+03 6.66E+03 4.38E+03 1.18E+04 4.10E+03 1.16E+04 3.43E+04 3.79E+03 2.70E+03 6.31E+03 2.47E+03 1.83E+03 1.10E+03 6.99E+02 0.00E+00 3.66E+04 3.63E+04 2.40E+04 2.07E+04 2.42E+04 1.57E+04 2.44E+04 2.39E+04 2.22E+04 2.37E+04 2.78E+04 2.21E+04 2.10E+04 3.31E+04 2.87E+04 6.73E+04 1.24E+04 1.76E+04 2.09E+04 4.94E+04 2.63E+04 2.65E+04 2.38E+04 7.36E+04 2.62E+04 5.21E+04 1.39E+04 8.01E+04 1.47E+04 1.73E+04 3.04E+04 4.81E+04 1.29E+04 2.40E+04 2.57E+04 1.70E+04 9.75E+03 1.28E+04 1.15E+04 1.68E+04 2.17E+04 7.94E+04 1.65E+04 1.84E+04 1.97E+04 Ascorbate 2.47E+04 3.00E+04 6.03E+04 3.86E+04 4.46E+04 5.28E+04 8.18E+04 9.09E+04 8.16E+04 6.88E+04 6.10E+04 6.63E+04 8.81E+04 7.64E+04 6.45E+04 9.20E+04 5.31E+04 7.15E+04 4.44E+04 1.61E+05 5.41E+04 5.24E+04 3.23E+04 5.59E+04 4.88E+04 1.43E+05 1.00E+05 8.82E+04 1.90E+05 8.25E+04 5.44E+04 6.25E+04 6.72E+04 6.13E+04 5.32E+04 6.95E+04 5.80E+04 8.43E+04 9.10E+04 7.42E+04 6.25E+04 5.54E+04 4.73E+04 4.22E+04 5.19E+04 6.71E+04 6.75E+04 6.46E+04 8.22E+04 6.35E+04 6.65E+04 5.95E+04 7.03E+04 4.13E+04 5.00E+04 5.78E+04 6.45E+04 7.99E+04 5.30E+04 5.24E+04 Dehydroascorbate 3.20E+04 2.95E+04 4.59E+04 2.63E+04 4.22E+04 6.09E+04 4.77E+04 8.62E+04 5.15E+04 6.17E+04 4.68E+04 5.45E+04 6.82E+04 4.57E+04 5.39E+04 1.62E+05 6.07E+04 7.76E+04 5.94E+04 1.06E+05 5.21E+04 4.76E+04 4.44E+04 4.39E+04 4.36E+04 7.77E+04 8.27E+04 4.13E+04 7.47E+04 7.71E+04 7.85E+04 8.06E+04 7.77E+04 7.48E+04 7.77E+04 7.75E+04 1.87E+05 8.32E+04 8.98E+04 8.44E+04 7.35E+04 7.73E+04 5.40E+04 5.55E+04 5.94E+04 6.25E+04 7.42E+04 6.14E+04 7.04E+04 6.12E+04 6.61E+04 5.58E+04 6.33E+04 5.60E+04 4.80E+04 5.39E+04 7.67E+04 7.57E+04 5.86E+04 7.46E+04 gamma-L-Glutamyl-L-cysteine 4.72E+04 2.86E+04 7.06E+03 4.18E+04 2.62E+04 8.72E+04 7.78E+03 6.07E+04 1.91E+04 7.98E+04 4.36E+04 3.14E+04 1.82E+04 3.15E+04 3.53E+04 1.78E+04 2.32E+04 3.11E+04 2.31E+04 3.02E+04 1.55E+04 1.56E+04 2.03E+04 1.50E+04 1.58E+04 2.46E+04 2.46E+04 3.03E+04 2.73E+04 1.94E+04 8.64E+03 1.19E+04 2.00E+04 1.95E+04 2.09E+04 4.42E+03 0.00E+00 9.00E+02 7.30E+03 1.01E+04 2.46E+03 2.10E+04 7.57E+03 1.23E+04 6.98E+03 4.13E+03 5.34E+03 0.00E+00 5.75E+03 1.58E+03 2.10E+04 1.71E+04 5.94E+03 2.66E+04 3.36E+04 1.95E+03 3.73E+03 7.06E+02 8.00E+02 9.41E+03 L-gamma-Glutamyl-L-hypoglycin 2.10E+04 1.39E+04 2.64E+04 2.72E+04 4.14E+04 1.30E+05 6.46E+05 1.79E+05 4.57E+04 1.64E+05 4.37E+04 4.49E+04 3.12E+04 4.28E+04 4.79E+04 6.47E+03 0.00E+00 1.17E+04 1.00E+04 1.00E+04 2.30E+03 4.59E+03 3.85E+03 5.13E+03 1.67E+03 7.04E+03 7.59E+03 1.01E+04 1.41E+04 1.07E+04 1.38E+05 5.53E+05 4.61E+05 4.14E+05 3.97E+05 1.44E+05 4.08E+05 1.26E+06 4.12E+05 3.62E+05 1.09E+05 1.63E+06 2.27E+05 1.63E+05 1.85E+05 2.70E+05 4.08E+05 1.99E+05 1.35E+05 2.91E+05 2.02E+05 1.53E+05 3.04E+05 4.73E+05 2.22E+05 1.59E+05 3.03E+05 9.53E+05 1.68E+05 2.46E+05 (5-L-Glutamyl)-L-glutamine 1.01E+05 5.53E+04 2.47E+04 8.74E+04 6.28E+04 2.29E+05 3.73E+04 1.82E+05 6.35E+04 1.94E+05 1.08E+05 1.18E+05 5.30E+04 9.44E+04 1.04E+05 6.19E+04 6.41E+04 7.01E+04 5.68E+04 8.95E+04 5.12E+04 5.10E+04 5.76E+04 5.40E+04 5.61E+04 6.95E+04 7.48E+04 6.26E+04 7.65E+04 5.11E+04 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 2.61E+03 8.26E+03 0.00E+00 0.00E+00 0.00E+00 4.36E+02 3.60E+02 0.00E+00 0.00E+00 5.67E+03 0.00E+00 0.00E+00 0.00E+00 3.25E+03 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 2.83E+03 3.52E+03 0.00E+00 0.00E+00 5-L-Glutamyl-taurine 3.19E+04 4.51E+04 1.94E+04 4.80E+04 3.66E+04 5.28E+04 3.96E+04 3.93E+04 3.08E+04 4.17E+04 4.28E+04 3.55E+04 2.49E+04 4.89E+04 3.78E+04 5.02E+04 5.89E+04 5.74E+04 5.70E+04 6.01E+04 4.86E+04 4.22E+04 4.33E+04 3.45E+04 4.11E+04 4.84E+04 4.83E+04 4.25E+04 5.69E+04 4.14E+04 2.30E+04 3.05E+04 2.32E+04 2.19E+04 1.93E+04 1.65E+04 7.28E+03 1.95E+04 1.48E+04 1.73E+04 1.91E+04 2.74E+04 2.81E+04 1.95E+04 9.07E+03 2.11E+04 6.16E+03 1.06E+04 1.00E+04 4.15E+03 1.97E+04 2.05E+04 2.71E+04 2.90E+04 2.92E+04 1.56E+04 2.04E+04 7.65E+03 1.82E+04 1.19E+04 Cystathionine 8.41E+04 8.19E+04 2.17E+05 2.27E+05 8.25E+04 1.54E+05 5.92E+04 2.38E+05 7.93E+04 1.36E+05 1.67E+05 1.52E+05 2.44E+05 2.36E+05 1.63E+05 2.62E+05 2.21E+05 2.61E+05 2.75E+05 2.84E+05 1.06E+05 2.61E+05 3.06E+05 1.62E+05 2.40E+05 1.90E+05 1.77E+05 1.73E+05 2.76E+05 2.50E+05 6.98E+04 5.57E+04 1.19E+05 8.31E+04 7.67E+04 1.28E+05 4.66E+04 7.04E+04 1.80E+05 5.58E+04 0.00E+00 5.98E+04 1.30E+05 4.66E+04 1.35E+05 6.83E+04 9.30E+04 1.36E+05 5.92E+04 5.21E+04 6.02E+04 0.00E+00 5.03E+04 4.38E+04 6.44E+04 5.71E+04 0.00E+00 5.41E+04 4.19E+04 6.24E+04 3-Phosphonooxypyruvate 5.93E+03 2.36E+04 1.71E+04 2.31E+04 3.61E+04 2.17E+04 2.68E+04 2.01E+04 4.78E+04 3.00E+04 2.75E+04 4.08E+04 2.24E+04 4.34E+04 4.35E+04 3.60E+04 1.11E+04 3.47E+04 3.81E+04 3.18E+04 3.84E+04 3.29E+04 3.82E+04 2.09E+04 4.09E+04 3.66E+04 3.51E+04 3.75E+04 2.75E+04 2.66E+04 5.93E+04 6.29E+04 6.38E+04 5.53E+04 7.48E+04 5.87E+04 4.47E+04 4.10E+04 5.40E+04 5.10E+04 3.36E+04 4.66E+04 3.24E+04 4.71E+04 4.78E+04 2.14E+04 3.13E+04 3.04E+04 2.49E+04 3.41E+04 5.59E+04 6.06E+04 5.25E+04 5.77E+04 6.84E+04 3.11E+04 5.35E+04 2.50E+04 3.34E+04 4.26E+04 Argininosuccinate 1.51E+04 9.10E+03 0.00E+00 1.70E+04 1.63E+04 2.45E+04 5.42E+03 1.32E+04 6.61E+03 3.17E+04 1.54E+04 2.40E+04 0.00E+00 2.58E+04 2.31E+04 3.04E+04 3.34E+04 3.08E+04 2.60E+04 4.45E+04 1.81E+04 2.22E+04 1.80E+04 1.59E+04 2.28E+04 2.24E+04 2.02E+04 2.53E+04 1.75E+04 2.05E+04 5.64E+03 0.00E+00 0.00E+00 2.99E+03 4.18E+03 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 5.97E+03 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 2.32E+03 1.81E+03 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 N-Acetylneuraminate 4.38E+06 3.72E+06 2.10E+06 4.83E+06 3.32E+06 3.71E+06 2.52E+06 2.34E+06 2.91E+06 3.07E+06 4.58E+06 3.83E+06 2.24E+06 4.27E+06 3.75E+06 1.43E+06 1.95E+06 2.34E+06 1.89E+06 2.21E+06 1.35E+06 1.29E+06 1.18E+06 1.14E+06 1.21E+06 1.45E+06 1.52E+06 1.37E+06 1.48E+06 1.42E+06 2.24E+06 2.04E+06 2.23E+06 2.29E+06 3.05E+06 2.41E+06 2.09E+06 1.93E+06 2.41E+06 2.37E+06 1.14E+06 9.56E+05 1.06E+06 1.17E+06 9.82E+05 1.05E+06 1.19E+06 1.03E+06 1.26E+06 1.02E+06 1.75E+06 1.67E+06 1.35E+06 1.76E+06 1.94E+06 1.57E+06 1.46E+06 1.47E+06 1.49E+06 1.51E+06 N-Glycoloyl-neuraminate 2.96E+05 2.92E+05 1.81E+05 3.46E+05 2.38E+05 1.95E+05 1.48E+05 1.70E+05 1.64E+05 1.73E+05 2.37E+05 2.24E+05 1.97E+05 2.34E+05 2.33E+05 1.19E+05 1.47E+05 2.00E+05 1.55E+05 1.96E+05 1.04E+05 1.12E+05 9.49E+04 9.65E+04 9.40E+04 1.41E+05 1.42E+05 1.10E+05 1.27E+05 1.19E+05 2.50E+05 3.17E+05 2.45E+05 2.43E+05 2.89E+05 2.03E+05 2.14E+05 1.91E+05 2.41E+05 2.34E+05 1.55E+05 1.25E+05 1.48E+05 1.43E+05 1.69E+05 1.22E+05 1.21E+05 1.41E+05 1.38E+05 1.34E+05 2.01E+05 1.84E+05 1.83E+05 1.94E+05 2.20E+05 1.69E+05 1.71E+05 1.56E+05 1.52E+05 1.59E+05 alpha-D-Glucosamine 1-phosphate 1.06E+05 9.66E+04 7.50E+04 1.12E+05 8.92E+04 6.75E+04 5.31E+04 6.02E+04 6.16E+04 4.20E+04 7.94E+04 8.14E+04 5.62E+04 7.56E+04 5.63E+04 1.38E+05 1.29E+05 1.32E+05 1.32E+05 1.50E+05 1.02E+05 1.04E+05 1.04E+05 9.81E+04 1.12E+05 1.32E+05 1.27E+05 1.14E+05 1.13E+05 1.28E+05 4.74E+04 5.07E+04 4.72E+04 6.16E+04 4.23E+04 2.97E+04 3.22E+04 3.70E+04 3.22E+04 3.06E+04 3.22E+04 3.18E+04 2.24E+04 2.70E+04 3.29E+04 2.57E+04 2.36E+04 2.04E+04 2.43E+04 2.28E+04 3.45E+04 3.55E+04 3.83E+04 2.90E+04 4.10E+04 2.25E+04 2.31E+04 1.99E+04 2.11E+04 2.22E+04 1-4-beta-D-Xylan 2.60E+05 3.00E+05 2.93E+05 3.46E+05 3.49E+05 3.90E+05 3.71E+05 3.85E+05 3.63E+05 3.57E+05 3.89E+05 3.97E+05 3.29E+05 3.68E+05 4.23E+05 2.93E+05 2.93E+05 3.52E+05 2.84E+05 6.59E+05 2.06E+05 2.85E+05 2.00E+05 2.26E+05 2.19E+05 3.94E+05 3.86E+05 2.71E+05 3.56E+05 3.74E+05 5.24E+05 6.55E+05 6.18E+05 6.03E+05 6.27E+05 2.48E+05 2.16E+05 3.55E+05 2.18E+05 2.73E+05 4.21E+05 4.89E+05 4.56E+05 4.87E+05 4.04E+05 2.01E+05 2.84E+05 1.62E+05 2.02E+05 2.45E+05 5.67E+05 4.86E+05 4.62E+05 4.92E+05 4.97E+05 1.61E+05 1.89E+05 3.46E+05 1.75E+05 1.81E+05 UDP-N-acetyl-D-glucosamine 6.31E+05 5.96E+05 3.85E+05 6.06E+05 5.15E+05 4.82E+05 4.73E+05 4.99E+05 5.75E+05 4.10E+05 5.70E+05 5.31E+05 5.38E+05 5.99E+05 5.69E+05 8.86E+05 9.65E+05 8.48E+05 9.73E+05 8.53E+05 5.66E+05 6.85E+05 6.16E+05 6.37E+05 6.75E+05 6.60E+05 6.26E+05 7.18E+05 7.20E+05 6.04E+05 2.79E+05 2.61E+05 2.85E+05 2.93E+05 2.32E+05 2.50E+05 2.14E+05 2.29E+05 2.27E+05 2.29E+05 1.52E+05 1.69E+05 1.51E+05 1.60E+05 1.44E+05 1.46E+05 1.39E+05 1.20E+05 1.46E+05 1.49E+05 1.96E+05 1.86E+05 1.88E+05 1.85E+05 1.85E+05 1.58E+05 1.63E+05 1.66E+05 1.53E+05 1.59E+05 CMP-N-acetylneuraminate 1.65E+05 1.40E+05 9.77E+04 1.46E+05 1.32E+05 1.45E+05 1.20E+05 1.29E+05 1.52E+05 1.04E+05 1.76E+05 1.47E+05 1.32E+05 1.48E+05 1.62E+05 3.16E+05 3.15E+05 2.87E+05 3.27E+05 2.76E+05 1.87E+05 2.17E+05 2.00E+05 2.05E+05 2.15E+05 2.09E+05 1.97E+05 2.13E+05 2.16E+05 1.84E+05 1.03E+05 1.07E+05 1.16E+05 1.33E+05 9.90E+04 8.84E+04 9.17E+04 9.90E+04 1.03E+05 1.05E+05 7.13E+04 6.73E+04 6.56E+04 6.68E+04 6.98E+04 5.80E+04 6.13E+04 4.49E+04 6.42E+04 6.68E+04 7.81E+04 7.44E+04 7.08E+04 8.02E+04 7.77E+04 7.12E+04 6.33E+04 6.25E+04 5.82E+04 7.31E+04 Glycolate 1.34E+05 1.30E+05 1.59E+05 1.47E+05 1.61E+05 1.33E+05 1.46E+05 1.55E+05 1.65E+05 1.46E+05 1.54E+05 1.59E+05 1.45E+05 1.44E+05 1.41E+05 2.15E+05 1.19E+05 1.45E+05 1.39E+05 1.60E+05 1.25E+05 1.28E+05 1.51E+05 0.00E+00 1.39E+05 1.16E+05 1.33E+05 1.15E+05 1.41E+05 1.44E+05 1.72E+05 1.58E+05 1.46E+05 1.64E+05 1.60E+05 1.41E+05 1.54E+05 1.55E+05 1.30E+05 1.43E+05 1.62E+05 1.50E+05 1.00E+05 1.30E+05 1.69E+05 1.39E+05 1.86E+05 1.60E+05 1.49E+05 1.49E+05 1.51E+05 1.70E+05 1.35E+05 1.37E+05 1.61E+05 0.00E+00 0.00E+00 1.35E+05 1.31E+05 1.51E+05 N-Acetyl-L-citrulline 2.22E+05 1.40E+05 8.64E+04 1.70E+05 1.67E+05 5.85E+05 7.36E+04 3.42E+05 1.42E+05 6.27E+05 2.96E+05 3.23E+05 9.08E+04 2.96E+05 3.15E+05 5.92E+03 5.41E+03 3.72E+03 8.81E+03 0.00E+00 4.58E+03 5.27E+03 3.41E+03 2.00E+03 7.14E+03 5.49E+03 1.05E+04 8.57E+03 8.58E+03 4.71E+03 4.33E+03 8.94E+04 1.73E+04 1.44E+04 8.72E+03 0.00E+00 4.73E+03 1.27E+05 0.00E+00 1.97E+04 0.00E+00 8.36E+04 0.00E+00 2.14E+04 0.00E+00 0.00E+00 1.48E+04 4.81E+03 2.40E+03 2.88E+04 6.88E+03 0.00E+00 2.51E+04 6.24E+03 4.36E+03 2.12E+03 6.70E+03 1.14E+05 0.00E+00 0.00E+00 5-6-Dihydrouracil 1.80E+05 1.49E+05 1.32E+05 1.75E+05 1.82E+05 1.77E+05 1.63E+05 1.39E+05 1.89E+05 1.68E+05 2.19E+05 1.83E+05 1.35E+05 1.65E+05 1.63E+05 8.34E+04 7.99E+04 9.95E+04 9.28E+04 1.17E+05 9.11E+04 9.01E+04 9.25E+04 7.65E+04 0.00E+00 9.55E+04 1.10E+05 9.12E+04 7.92E+04 9.33E+04 1.16E+05 1.14E+05 1.16E+05 1.05E+05 1.25E+05 1.05E+05 1.16E+05 1.07E+05 1.08E+05 9.32E+04 8.33E+04 1.22E+05 1.24E+05 1.20E+05 9.83E+04 1.01E+05 1.16E+05 1.21E+05 1.14E+05 1.13E+05 1.37E+05 1.18E+05 1.08E+05 1.21E+05 1.12E+05 1.10E+05 1.22E+05 1.07E+05 1.15E+05 1.03E+05 3-Sulfino-L-alanine 3.18E+04 4.10E+04 1.37E+04 4.95E+04 2.35E+04 6.19E+04 4.34E+04 4.85E+03 3.39E+04 3.58E+04 5.63E+04 5.59E+04 4.55E+03 3.18E+04 3.48E+04 6.59E+04 4.27E+04 5.37E+04 4.76E+04 4.06E+04 3.26E+04 3.23E+04 2.45E+04 2.59E+04 3.41E+04 3.65E+04 4.03E+04 3.81E+04 3.61E+04 2.70E+04 1.77E+04 4.91E+03 3.26E+04 3.47E+04 4.34E+04 3.95E+03 6.93E+03 1.11E+04 1.15E+04 5.57E+03 1.59E+04 2.67E+04 1.62E+04 1.10E+04 9.56E+03 1.12E+05 5.93E+03 9.72E+03 1.07E+04 6.13E+03 2.61E+04 2.54E+04 2.55E+04 4.26E+04 3.89E+04 2.66E+03 7.84E+03 5.95E+03 5.13E+03 1.45E+04 Thiocysteine 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 2.86E+03 9.00E+03 8.12E+03 3.82E+03 4.12E+04 3.59E+03 4.58E+03 1.54E+03 3.02E+03 2.10E+03 9.21E+03 1.06E+04 3.92E+03 8.20E+03 1.06E+04 3.18E+04 2.85E+04 2.66E+04 2.84E+04 1.65E+04 3.59E+04 6.64E+04 4.52E+04 5.47E+04 2.00E+04 1.96E+04 1.14E+04 1.04E+04 7.77E+03 6.78E+03 4.99E+04 3.26E+04 1.65E+04 3.32E+04 3.07E+04 2.05E+04 4.16E+03 3.14E+03 1.13E+04 2.91E+03 2.68E+04 5.54E+04 3.08E+04 4.04E+04 4.27E+04 L-Selenomethionine 2.53E+04 6.36E+04 4.83E+04 4.18E+04 2.22E+04 6.06E+04 3.03E+04 4.64E+04 2.61E+04 5.86E+04 3.20E+04 2.14E+04 4.44E+04 3.22E+04 2.97E+04 2.51E+04 3.21E+04 2.96E+04 2.25E+04 2.55E+04 2.00E+04 2.67E+04 1.92E+04 2.48E+04 2.15E+04 2.91E+04 2.43E+04 2.24E+04 4.36E+04 3.11E+04 3.81E+04 5.64E+04 3.29E+04 2.02E+04 2.77E+04 5.30E+04 2.44E+04 2.51E+04 3.82E+04 4.53E+04 2.57E+04 1.81E+04 2.82E+04 7.37E+04 5.63E+04 3.62E+04 4.22E+04 3.82E+04 4.54E+04 7.22E+04 4.20E+04 6.41E+04 6.45E+04 3.27E+04 3.84E+04 5.74E+04 2.46E+04 3.87E+04 4.44E+04 2.23E+04 L-Cysteate 1.57E+04 8.07E+03 2.66E+03 4.17E+03 3.93E+02 1.17E+04 2.15E+03 0.00E+00 2.68E+03 5.04E+03 5.54E+03 6.83E+03 2.71E+03 1.08E+04 4.60E+03 5.47E+03 1.42E+04 7.64E+03 5.09E+03 2.59E+04 7.81E+03 1.04E+04 1.09E+04 7.25E+03 6.58E+03 9.03E+03 1.12E+04 4.92E+03 1.47E+04 1.17E+04 0.00E+00 0.00E+00 0.00E+00 6.37E+02 5.15E+03 0.00E+00 0.00E+00 0.00E+00 4.19E+03 4.37E+03 5.96E+03 0.00E+00 0.00E+00 6.11E+03 0.00E+00 7.56E+03 4.19E+03 0.00E+00 5.65E+03 0.00E+00 3.41E+03 0.00E+00 0.00E+00 3.25E+02 0.00E+00 0.00E+00 3.92E+03 6.10E+03 0.00E+00 0.00E+00 (R)-S-Lactoylglutathione 3.92E+04 8.05E+04 6.57E+04 6.45E+04 7.22E+04 3.92E+04 5.33E+04 6.11E+04 6.07E+04 6.52E+04 5.67E+04 5.82E+04 5.76E+04 7.72E+04 5.46E+04 1.91E+04 1.89E+04 2.07E+04 1.14E+04 5.28E+04 7.84E+03 1.82E+04 2.56E+04 1.32E+04 4.80E+03 2.07E+04 2.50E+04 1.55E+04 3.30E+04 5.75E+04 9.05E+03 3.15E+03 5.51E+03 9.97E+03 3.53E+03 1.14E+04 3.19E+03 2.25E+03 5.57E+03 4.38E+03 7.38E+03 0.00E+00 0.00E+00 3.15E+03 4.11E+03 4.15E+03 6.67E+04 0.00E+00 6.78E+03 0.00E+00 9.97E+03 6.28E+03 7.45E+03 0.00E+00 4.12E+03 0.00E+00 9.13E+03 0.00E+00 8.89E+03 1.12E+04 Indolepyruvate 3.69E+04 2.83E+04 2.65E+04 4.09E+04 4.58E+04 3.71E+04 2.08E+04 3.34E+04 5.21E+04 4.05E+04 3.84E+04 3.99E+04 3.01E+04 3.86E+04 3.78E+04 2.93E+04 2.93E+04 3.61E+04 3.22E+04 1.19E+05 3.48E+04 3.09E+04 2.67E+04 3.19E+04 3.32E+04 4.41E+04 5.15E+04 2.50E+04 4.19E+04 3.56E+04 6.51E+03 0.00E+00 4.86E+03 0.00E+00 0.00E+00 2.35E+04 6.71E+03 4.69E+03 9.75E+03 1.25E+04 2.94E+03 0.00E+00 0.00E+00 0.00E+00 0.00E+00 2.02E+04 0.00E+00 4.35E+03 1.09E+04 0.00E+00 4.01E+03 0.00E+00 0.00E+00 4.12E+03 5.94E+03 5.54E+03 1.74E+04 0.00E+00 4.94E+03 8.27E+03 3D-(3-5/4)-Trihydroxycyclohexane-1-2-dione 5.02E+03 7.39E+03 1.14E+04 9.88E+03 1.27E+04 1.15E+04 3.11E+04 1.74E+04 1.78E+04 1.31E+04 1.12E+04 9.25E+03 2.22E+04 1.85E+04 1.61E+04 5.04E+04 4.51E+04 4.30E+04 3.90E+04 1.19E+05 3.37E+04 3.51E+04 3.34E+04 3.36E+04 3.54E+04 6.03E+04 5.98E+04 3.93E+04 4.59E+04 4.06E+04 5.11E+03 1.58E+04 5.23E+03 9.30E+03 9.61E+03 4.79E+03 3.60E+03 2.30E+04 1.26E+04 2.07E+04 5.88E+03 8.07E+04 2.48E+03 7.25E+03 6.91E+03 4.44E+03 1.56E+04 7.12E+03 5.26E+03 4.47E+03 8.51E+03 6.89E+03 2.08E+04 3.38E+03 8.83E+03 5.57E+03 6.13E+03 3.12E+04 2.84E+03 8.02E+03 1D-myo-Inositol 1-4-bisphosphate 2.23E+05 2.30E+05 1.48E+05 2.72E+05 2.00E+05 9.74E+04 1.66E+05 1.09E+05 1.92E+05 6.62E+04 2.55E+05 2.33E+05 2.20E+05 2.40E+05 2.74E+05 2.32E+05 1.89E+05 1.65E+05 2.33E+05 2.14E+04 1.45E+05 1.79E+05 1.53E+05 1.87E+05 1.83E+05 9.04E+04 8.47E+04 2.07E+05 1.89E+05 1.49E+05 5.35E+04 5.45E+04 5.42E+04 5.58E+04 4.91E+04 6.06E+04 6.75E+04 6.50E+04 7.10E+04 6.42E+04 3.04E+04 4.28E+04 3.94E+04 3.28E+04 3.61E+04 3.80E+04 4.03E+04 3.96E+04 3.79E+04 3.89E+04 4.29E+04 4.21E+04 3.92E+04 4.47E+04 3.58E+04 5.72E+04 4.42E+04 4.43E+04 4.08E+04 4.61E+04 Glycerol 3-phosphate 3.71E+05 5.22E+05 3.59E+05 5.60E+05 2.46E+05 4.63E+05 4.65E+05 5.18E+05 5.02E+05 2.59E+05 6.23E+05 6.46E+05 6.57E+05 5.53E+05 6.66E+05 1.26E+06 1.22E+06 1.31E+06 1.12E+06 1.54E+06 7.95E+05 9.10E+05 8.56E+05 8.05E+05 9.11E+05 1.11E+06 1.14E+06 9.52E+05 1.02E+06 1.01E+06 2.70E+05 2.73E+05 2.55E+05 2.54E+05 2.83E+05 1.94E+05 1.74E+05 1.84E+05 2.02E+05 1.97E+05 1.94E+05 1.75E+05 1.68E+05 1.68E+05 1.71E+05 1.49E+05 1.31E+05 1.26E+05 1.16E+05 1.27E+05 2.11E+05 2.18E+05 1.96E+05 1.86E+05 1.88E+05 1.56E+05 1.61E+05 1.41E+05 1.58E+05 1.41E+05 Ethanolamine phosphate 4.87E+06 5.29E+06 2.31E+06 6.63E+06 3.99E+06 3.96E+06 3.53E+06 1.22E+06 2.83E+06 3.19E+06 6.32E+06 5.41E+06 1.53E+06 4.18E+06 5.36E+06 4.12E+06 4.01E+06 4.27E+06 4.32E+06 5.66E+06 3.29E+06 3.13E+06 2.99E+06 2.86E+06 3.35E+06 3.29E+06 3.75E+06 3.05E+06 3.63E+06 3.69E+06 3.16E+06 2.74E+06 3.60E+06 4.28E+06 5.41E+06 3.20E+06 3.22E+06 2.72E+06 3.00E+06 2.99E+06 1.74E+06 3.18E+06 1.87E+06 2.40E+06 1.56E+06 1.55E+06 1.81E+06 1.62E+06 2.43E+06 1.47E+06 3.12E+06 3.43E+06 3.26E+06 4.23E+06 5.15E+06 1.86E+06 2.61E+06 2.60E+06 2.23E+06 3.05E+06 N-Methylethanolamine phosphate 6.78E+04 7.01E+04 3.57E+04 6.90E+04 4.80E+04 4.00E+04 2.44E+04 6.22E+03 3.39E+04 3.47E+04 5.57E+04 4.40E+04 9.60E+03 4.11E+04 4.23E+04 4.44E+04 4.40E+04 4.39E+04 5.37E+04 6.13E+04 3.71E+04 3.25E+04 3.21E+04 3.35E+04 3.49E+04 3.83E+04 3.82E+04 3.22E+04 3.91E+04 5.02E+04 3.97E+04 2.37E+04 5.77E+04 6.82E+04 9.90E+04 1.37E+04 1.80E+04 1.54E+04 1.35E+04 1.79E+04 3.53E+04 5.16E+04 3.29E+04 2.84E+04 3.53E+04 3.04E+03 5.45E+03 5.93E+03 0.00E+00 0.00E+00 6.53E+04 7.78E+04 5.59E+04 8.48E+04 1.05E+05 1.03E+04 1.71E+04 3.89E+03 7.77E+03 1.09E+04 Sphinganine 1-phosphate 4.45E+04 2.90E+04 3.56E+04 4.00E+04 4.24E+04 3.64E+04 6.71E+05 3.98E+04 4.13E+04 2.68E+04 3.88E+04 4.42E+04 3.97E+04 3.95E+04 4.04E+04 1.95E+04 1.51E+04 1.83E+04 1.61E+04 1.44E+04 1.82E+04 1.86E+04 1.74E+04 1.79E+04 1.96E+04 1.97E+04 1.62E+04 1.25E+04 1.61E+04 1.47E+04 4.20E+05 2.63E+05 3.00E+05 3.40E+05 3.32E+05 3.59E+05 2.85E+05 4.90E+05 4.30E+05 3.16E+05 4.52E+05 2.47E+05 3.40E+05 1.86E+05 3.40E+05 3.08E+05 2.98E+05 3.50E+05 3.10E+05 2.34E+05 3.03E+05 3.34E+05 3.46E+05 3.54E+05 3.80E+05 2.82E+05 2.71E+05 3.69E+05 3.97E+05 3.01E+05 Propionic/Propanoic acid 1.03E+05 8.34E+04 8.71E+04 1.00E+05 1.29E+05 1.01E+05 1.81E+05 8.79E+04 9.85E+04 1.06E+05 1.23E+05 1.23E+05 6.90E+04 1.11E+05 1.03E+05 1.03E+05 6.00E+04 9.97E+04 1.13E+05 1.21E+05 1.08E+05 9.64E+04 6.14E+04 4.82E+04 9.39E+04 1.09E+05 1.05E+05 9.76E+04 9.08E+04 8.87E+04 2.13E+05 2.55E+05 2.41E+05 2.15E+05 2.71E+05 2.05E+05 1.60E+05 3.15E+05 1.64E+05 1.93E+05 1.46E+05 3.06E+05 1.68E+05 1.87E+05 1.29E+05 1.64E+05 2.06E+05 1.32E+05 1.23E+05 1.79E+05 1.93E+05 1.78E+05 1.90E+05 1.99E+05 1.53E+05 1.73E+05 1.45E+05 2.15E+05 1.32E+05 1.30E+05 Butanoic/Butyric acid 5.98E+04 3.06E+04 3.48E+04 3.62E+04 4.78E+04 3.94E+04 6.65E+04 3.17E+04 4.94E+04 3.45E+04 5.82E+04 5.84E+04 3.68E+04 4.42E+04 4.15E+04 5.91E+04 1.63E+04 6.33E+04 5.24E+04 7.48E+04 5.36E+04 4.05E+04 4.51E+04 3.88E+04 5.87E+04 6.00E+04 6.43E+04 5.80E+04 4.25E+04 4.66E+04 5.60E+04 6.84E+04 5.64E+04 6.19E+04 6.68E+04 3.39E+04 5.69E+04 8.53E+04 3.50E+04 4.29E+04 3.91E+04 5.71E+04 6.04E+04 3.74E+04 5.41E+04 3.70E+04 3.93E+04 3.80E+04 3.36E+04 2.19E+04 6.41E+04 5.20E+04 4.64E+04 4.80E+04 6.06E+04 2.51E+04 4.26E+04 3.58E+04 1.62E+04 5.70E+04 Pentanoate (valerate) 1.21E+05 5.53E+04 8.69E+04 9.11E+04 1.17E+05 6.38E+04 1.51E+05 9.27E+04 1.21E+05 6.03E+04 1.13E+05 1.26E+05 9.13E+04 1.07E+05 1.17E+05 1.09E+05 4.59E+04 1.14E+05 1.18E+05 1.27E+05 1.20E+05 9.27E+04 1.11E+05 6.49E+04 1.18E+05 1.26E+05 1.31E+05 1.10E+05 8.02E+04 1.00E+05 1.10E+05 8.32E+04 1.10E+05 1.26E+05 1.30E+05 9.08E+04 1.43E+05 1.55E+05 1.15E+05 1.07E+05 1.27E+05 1.68E+05 1.19E+05 6.72E+04 8.28E+04 1.14E+05 1.11E+05 1.15E+05 9.35E+04 7.31E+04 9.62E+04 7.97E+04 5.71E+04 1.23E+05 1.10E+05 6.33E+04 1.43E+05 1.37E+05 9.51E+04 1.34E+05 Hexanoic acid (caproate) 3.53E+05 1.51E+05 2.47E+05 2.62E+05 3.65E+05 2.06E+05 5.92E+05 2.95E+05 4.60E+05 1.99E+05 2.97E+05 3.74E+05 2.80E+05 3.13E+05 3.04E+05 3.32E+05 1.29E+05 3.27E+05 3.27E+05 3.94E+05 3.30E+05 2.36E+05 3.05E+05 1.79E+05 3.29E+05 3.61E+05 3.55E+05 3.02E+05 2.25E+05 2.60E+05 4.42E+05 3.31E+05 4.48E+05 4.76E+05 5.91E+05 3.19E+05 5.54E+05 5.82E+05 4.53E+05 3.49E+05 4.70E+05 6.07E+05 4.31E+05 1.96E+05 2.91E+05 4.03E+05 3.57E+05 3.91E+05 3.02E+05 2.32E+05 3.59E+05 2.92E+05 2.19E+05 4.72E+05 4.08E+05 2.45E+05 4.79E+05 4.10E+05 3.47E+05 4.63E+05 Heptanoic acid 4.13E+05 1.21E+05 2.68E+05 2.53E+05 4.06E+05 1.76E+05 5.04E+05 3.17E+05 4.23E+05 1.58E+05 3.30E+05 4.35E+05 2.79E+05 3.45E+05 3.19E+05 3.56E+05 7.64E+04 3.28E+05 3.86E+05 4.19E+05 4.09E+05 2.68E+05 3.24E+05 1.79E+05 3.29E+05 3.98E+05 4.28E+05 3.44E+05 2.28E+05 2.79E+05 3.67E+05 4.63E+05 4.00E+05 4.31E+05 5.12E+05 2.53E+05 4.98E+05 7.77E+05 4.38E+05 3.35E+05 4.24E+05 7.15E+05 4.15E+05 2.31E+05 2.45E+05 3.70E+05 3.42E+05 3.73E+05 3.04E+05 2.99E+05 2.85E+05 2.41E+05 3.41E+05 4.63E+05 3.72E+05 1.99E+05 5.12E+05 7.05E+05 3.32E+05 4.84E+05 Octanoic acid (caprylic acid) 7.22E+05 4.34E+05 5.58E+05 5.56E+05 1.15E+06 5.15E+05 1.19E+06 5.73E+05 6.41E+05 4.67E+05 6.57E+05 6.24E+05 5.53E+05 7.28E+05 6.97E+05 6.96E+05 3.94E+05 7.07E+05 6.80E+05 6.83E+05 6.33E+05 5.68E+05 6.70E+05 4.83E+05 6.43E+05 6.69E+05 6.95E+05 6.84E+05 5.03E+05 6.05E+05 9.72E+05 8.69E+05 1.01E+06 7.20E+05 1.22E+06 7.61E+05 9.40E+05 1.19E+06 1.13E+06 8.38E+05 8.42E+05 1.18E+06 9.20E+05 6.12E+05 8.41E+05 8.72E+05 8.57E+05 8.60E+05 6.65E+05 6.72E+05 7.46E+05 7.58E+05 7.35E+05 1.04E+06 8.78E+05 6.20E+05 1.03E+06 1.09E+06 7.64E+05 8.87E+05 Nonanoic acid (pelargonic acid) 2.09E+06 1.15E+06 1.66E+06 1.63E+06 2.08E+06 1.34E+06 2.69E+06 1.78E+06 2.20E+06 1.32E+06 1.80E+06 2.03E+06 1.89E+06 2.18E+06 2.05E+06 1.90E+06 1.13E+06 1.90E+06 2.02E+06 2.10E+06 1.95E+06 1.92E+06 1.82E+06 1.45E+06 1.92E+06 2.10E+06 2.01E+06 1.84E+06 1.61E+06 1.65E+06 2.35E+06 1.60E+06 2.35E+06 2.13E+06 2.43E+06 1.77E+06 2.17E+06 2.74E+06 2.17E+06 1.95E+06 2.64E+06 2.68E+06 2.07E+06 1.49E+06 1.64E+06 2.15E+06 2.23E+06 2.44E+06 1.97E+06 1.78E+06 1.80E+06 1.85E+06 1.82E+06 2.18E+06 1.98E+06 1.63E+06 2.88E+06 2.37E+06 1.82E+06 2.28E+06 Decanoic acid (capric acid) 2.43E+06 1.21E+06 1.92E+06 1.92E+06 2.66E+06 1.60E+06 1.29E+06 1.95E+06 2.54E+06 1.50E+06 2.25E+06 2.15E+06 2.11E+06 2.12E+06 2.27E+06 1.91E+06 1.03E+06 1.99E+06 2.18E+06 2.33E+06 2.13E+06 1.81E+06 2.14E+06 1.47E+06 2.14E+06 2.25E+06 2.14E+06 1.93E+06 1.54E+06 1.92E+06 1.70E+06 1.09E+06 1.35E+06 1.42E+06 1.49E+06 1.35E+06 1.72E+06 1.11E+06 1.41E+06 1.13E+06 1.70E+06 1.23E+06 1.47E+06 9.58E+05 1.26E+06 1.40E+06 1.29E+06 1.44E+06 1.35E+06 1.04E+06 1.19E+06 1.26E+06 9.80E+05 1.46E+06 1.38E+06 1.12E+06 1.54E+06 1.18E+06 1.35E+06 1.65E+06 Dodecanoic acid (lauric acid) 1.21E+06 9.75E+05 1.15E+06 1.80E+06 2.54E+06 9.49E+05 2.84E+06 1.13E+06 1.51E+06 1.24E+06 1.18E+06 1.24E+06 1.09E+06 1.29E+06 1.25E+06 1.07E+06 7.18E+05 1.09E+06 1.02E+06 1.04E+06 1.17E+06 1.10E+06 1.14E+06 7.63E+05 1.12E+06 1.09E+06 9.08E+05 1.01E+06 7.69E+05 1.03E+06 1.48E+06 2.21E+06 1.86E+06 2.28E+06 1.98E+06 1.48E+06 1.76E+06 2.77E+06 1.55E+06 1.87E+06 1.58E+06 3.08E+06 1.56E+06 1.42E+06 1.35E+06 1.49E+06 2.08E+06 1.91E+06 1.34E+06 1.63E+06 1.69E+06 1.55E+06 1.90E+06 1.90E+06 1.81E+06 1.53E+06 1.76E+06 2.54E+06 1.62E+06 1.75E+06 Tetradecanoic acid (myristic acid) 6.81E+06 5.69E+06 5.50E+06 9.49E+06 7.86E+06 6.28E+06 1.13E+07 5.97E+06 8.31E+06 7.81E+06 6.10E+06 6.47E+06 5.96E+06 6.44E+06 6.92E+06 4.73E+06 3.30E+06 4.84E+06 4.64E+06 4.88E+06 5.90E+06 4.95E+06 5.16E+06 3.86E+06 5.18E+06 4.95E+06 4.47E+06 4.83E+06 4.05E+06 4.58E+06 4.81E+06 6.80E+06 6.16E+06 6.47E+06 6.33E+06 4.01E+06 5.45E+06 9.22E+06 4.98E+06 6.10E+06 5.36E+06 8.70E+06 3.98E+06 4.50E+06 4.56E+06 4.86E+06 7.37E+06 5.20E+06 4.50E+06 4.53E+06 5.08E+06 3.98E+06 5.40E+06 5.72E+06 4.82E+06 4.45E+06 5.57E+06 8.60E+06 5.16E+06 5.34E+06 Hexadecanoic acid (palmitic acid) 5.59E+07 4.88E+07 5.60E+07 6.44E+07 6.20E+07 5.18E+07 2.65E+07 5.05E+07 5.99E+07 7.12E+07 5.45E+07 5.53E+07 4.76E+07 5.43E+07 5.16E+07 3.70E+07 3.06E+07 3.82E+07 3.29E+07 3.33E+07 3.86E+07 3.51E+07 4.08E+07 3.54E+07 3.86E+07 3.62E+07 4.20E+07 3.48E+07 2.80E+07 3.12E+07 1.53E+07 1.60E+07 1.70E+07 1.62E+07 1.66E+07 1.22E+07 1.49E+07 1.96E+07 1.43E+07 1.70E+07 1.39E+07 1.92E+07 1.47E+07 1.07E+07 1.37E+07 1.36E+07 1.61E+07 1.53E+07 1.26E+07 1.32E+07 1.45E+07 1.24E+07 1.39E+07 1.56E+07 1.59E+07 1.29E+07 1.48E+07 1.94E+07 1.47E+07 1.53E+07 Octadecanoic acid (stearic acid) 5.84E+07 4.68E+07 5.23E+07 6.58E+07 6.15E+07 5.65E+07 2.77E+07 5.70E+07 5.88E+07 6.18E+07 5.11E+07 5.46E+07 4.92E+07 4.52E+07 5.12E+07 2.89E+07 2.13E+07 2.55E+07 2.36E+07 2.17E+07 3.02E+07 2.37E+07 3.36E+07 2.40E+07 2.58E+07 2.53E+07 4.07E+07 2.67E+07 2.32E+07 2.18E+07 9.84E+06 9.50E+06 8.55E+06 9.28E+06 1.03E+07 8.00E+06 1.04E+07 1.72E+07 1.21E+07 8.87E+06 9.54E+06 1.40E+07 8.98E+06 5.96E+06 8.05E+06 8.37E+06 8.05E+06 9.55E+06 6.86E+06 7.04E+06 6.61E+06 8.28E+06 8.93E+06 1.04E+07 1.58E+07 6.84E+06 9.44E+06 1.34E+07 9.03E+06 8.75E+06 Tetradecenoic acid (myristoleic acid) 6.71E+05 5.00E+05 6.58E+05 1.53E+06 8.25E+05 6.06E+05 3.20E+05 6.95E+05 7.59E+05 9.29E+05 6.58E+05 6.28E+05 6.14E+05 6.93E+05 6.37E+05 6.34E+05 4.69E+05 5.59E+05 5.69E+05 6.41E+05 7.86E+05 5.42E+05 6.46E+05 5.48E+05 6.61E+05 6.52E+05 5.73E+05 5.95E+05 5.26E+05 6.07E+05 4.63E+05 3.01E+05 3.75E+05 4.02E+05 4.13E+05 4.44E+05 4.42E+05 2.75E+05 3.46E+05 4.23E+05 5.02E+05 2.89E+05 4.46E+05 3.57E+05 3.91E+05 4.81E+05 3.65E+05 4.28E+05 4.31E+05 3.20E+05 4.11E+05 4.04E+05 3.20E+05 3.95E+05 4.54E+05 3.78E+05 4.45E+05 2.81E+05 3.76E+05 4.55E+05 Hexadecenoic acid (Palmitoleic acid) 5.89E+06 4.41E+06 5.49E+06 1.07E+07 7.52E+06 5.89E+06 2.64E+06 5.47E+06 6.68E+06 8.16E+06 4.96E+06 5.54E+06 5.78E+06 5.44E+06 5.57E+06 5.51E+06 3.92E+06 5.77E+06 5.39E+06 5.28E+06 6.59E+06 4.84E+06 5.25E+06 4.56E+06 5.81E+06 5.72E+06 5.33E+06 5.45E+06 4.78E+06 5.09E+06 3.46E+06 3.13E+06 3.58E+06 3.65E+06 3.95E+06 2.94E+06 3.76E+06 2.43E+06 3.06E+06 3.46E+06 4.00E+06 2.95E+06 3.82E+06 2.78E+06 3.45E+06 3.95E+06 3.49E+06 3.63E+06 3.83E+06 2.50E+06 3.34E+06 3.32E+06 2.50E+06 3.44E+06 3.87E+06 3.19E+06 3.93E+06 2.64E+06 3.83E+06 3.94E+06 Octadecenoic acid (Oleic acid) 1.10E+07 9.18E+06 7.22E+06 1.42E+07 1.29E+07 7.98E+06 6.51E+06 7.76E+06 8.26E+06 9.94E+06 8.52E+06 8.24E+06 7.09E+06 9.39E+06 8.63E+06 5.45E+06 5.25E+06 6.21E+06 4.98E+06 5.91E+06 4.47E+06 4.47E+06 5.07E+06 3.70E+06 4.65E+06 4.91E+06 4.98E+06 4.82E+06 4.05E+06 4.14E+06 3.74E+06 5.18E+06 4.15E+06 3.96E+06 3.78E+06 3.40E+06 3.88E+06 5.91E+06 3.54E+06 4.71E+06 2.67E+06 5.60E+06 2.93E+06 2.91E+06 2.96E+06 3.00E+06 3.72E+06 3.32E+06 2.96E+06 3.60E+06 3.48E+06 3.09E+06 3.57E+06 3.50E+06 3.20E+06 3.43E+06 3.36E+06 5.32E+06 3.12E+06 3.26E+06 Linoleic acid ((9Z,12Z)-Octadecadienoic acid) 1.79E+06 1.58E+06 1.22E+06 2.62E+06 2.16E+06 1.65E+06 8.86E+05 1.67E+06 2.23E+06 2.23E+06 1.83E+06 1.71E+06 1.54E+06 1.87E+06 1.91E+06 1.46E+06 9.87E+05 1.41E+06 1.28E+06 1.40E+06 1.11E+06 1.03E+06 1.08E+06 1.01E+06 1.34E+06 1.20E+06 1.17E+06 1.23E+06 9.81E+05 1.13E+06 8.52E+05 8.18E+05 8.20E+05 8.23E+05 8.74E+05 8.86E+05 9.45E+05 7.84E+05 7.73E+05 9.72E+05 7.47E+05 7.69E+05 5.23E+05 4.26E+05 6.11E+05 7.98E+05 7.75E+05 7.98E+05 7.37E+05 6.07E+05 7.80E+05 6.56E+05 5.52E+05 7.36E+05 7.95E+05 7.68E+05 8.92E+05 7.51E+05 8.59E+05 9.22E+05 a-Linolenic acid (Octadecatrienoic acid) 7.47E+04 5.14E+04 5.15E+04 1.12E+05 7.25E+04 5.88E+04 8.92E+04 5.66E+04 7.58E+04 7.82E+04 6.48E+04 5.50E+04 5.75E+04 6.08E+04 5.65E+04 4.98E+04 4.66E+04 4.83E+04 5.47E+04 5.81E+04 4.87E+04 4.77E+04 5.33E+04 4.91E+04 5.11E+04 5.10E+04 4.67E+04 5.06E+04 4.89E+04 5.24E+04 4.56E+04 3.16E+04 3.80E+04 3.74E+04 3.65E+04 4.69E+04 4.86E+04 4.75E+04 5.37E+04 4.13E+04 5.66E+04 2.92E+04 5.53E+04 3.21E+04 4.27E+04 3.45E+04 3.14E+04 4.30E+04 3.49E+04 3.11E+04 5.16E+04 4.01E+04 4.46E+04 3.48E+04 4.79E+04 4.46E+04 4.20E+04 2.65E+04 4.21E+04 3.92E+04 Arachidonic acid (Eicosatetraenoic acid) 9.32E+06 6.63E+06 5.61E+06 9.68E+06 8.66E+06 8.05E+06 6.00E+06 8.80E+06 8.34E+06 8.60E+06 9.74E+06 8.37E+06 7.89E+06 1.01E+07 1.03E+07 3.28E+06 2.72E+06 3.33E+06 2.99E+06 3.79E+06 2.50E+06 2.40E+06 2.54E+06 2.23E+06 2.92E+06 2.42E+06 2.10E+06 2.43E+06 2.00E+06 2.36E+06 2.35E+06 1.73E+06 2.15E+06 2.05E+06 2.43E+06 2.39E+06 1.96E+06 1.40E+06 1.92E+06 1.82E+06 2.04E+06 9.29E+05 1.22E+06 1.27E+06 1.55E+06 1.28E+06 1.52E+06 1.39E+06 1.52E+06 1.12E+06 1.54E+06 1.47E+06 1.09E+06 1.34E+06 1.50E+06 1.40E+06 1.66E+06 9.49E+05 1.69E+06 1.66E+06 Stearidonic acid ((6Z,9Z,12Z,15Z)-Octadecatetraenoic acid) 6.35E+03 5.42E+03 6.66E+03 1.19E+04 6.55E+03 8.69E+03 2.53E+04 7.01E+03 7.06E+03 9.36E+03 5.82E+03 6.26E+03 4.62E+03 4.16E+03 4.48E+03 2.80E+03 2.52E+03 4.91E+03 2.17E+03 2.59E+03 4.30E+03 3.73E+03 4.48E+03 2.26E+03 3.68E+03 3.47E+03 5.08E+03 4.58E+03 1.74E+03 1.62E+03 8.59E+03 2.95E+04 2.11E+04 1.99E+04 1.86E+04 1.05E+04 1.77E+04 3.21E+04 1.47E+04 2.50E+04 7.55E+03 3.77E+04 1.22E+04 1.83E+04 1.27E+04 1.44E+04 2.00E+04 1.35E+04 9.90E+03 1.87E+04 1.45E+04 1.29E+04 1.88E+04 1.57E+04 9.67E+03 1.45E+04 1.24E+04 3.52E+04 1.09E+04 1.21E+04 Adrenic acid (7,10,13,16-Docosatetraenoic acid) 1.97E+06 1.28E+06 1.19E+06 2.11E+06 1.86E+06 1.35E+06 1.65E+06 1.56E+06 1.60E+06 1.71E+06 1.78E+06 1.55E+06 1.37E+06 1.97E+06 1.90E+06 4.30E+05 3.78E+05 4.15E+05 4.07E+05 4.43E+05 2.81E+05 3.00E+05 3.25E+05 2.64E+05 3.05E+05 2.89E+05 2.51E+05 2.60E+05 2.50E+05 2.83E+05 7.85E+05 5.79E+05 6.74E+05 6.01E+05 7.03E+05 8.79E+05 7.84E+05 7.17E+05 8.73E+05 5.38E+05 5.82E+05 2.99E+05 4.81E+05 4.05E+05 6.72E+05 4.71E+05 5.50E+05 5.28E+05 4.73E+05 5.19E+05 6.18E+05 5.72E+05 4.15E+05 4.77E+05 5.10E+05 4.67E+05 7.82E+05 4.20E+05 6.79E+05 6.25E+05 Eicosapentaenoic acid 4.25E+05 2.61E+05 2.58E+05 4.81E+05 3.82E+05 2.96E+05 1.38E+05 3.73E+05 3.52E+05 3.56E+05 4.32E+05 3.28E+05 3.07E+05 4.20E+05 3.38E+05 1.33E+05 1.08E+05 1.16E+05 1.25E+05 1.47E+05 8.40E+04 7.92E+04 8.64E+04 7.77E+04 9.56E+04 1.04E+05 9.30E+04 9.71E+04 8.99E+04 9.78E+04 9.87E+04 7.11E+04 8.47E+04 9.11E+04 9.17E+04 9.43E+04 9.28E+04 4.77E+04 7.64E+04 6.87E+04 7.54E+04 3.73E+04 5.76E+04 4.59E+04 7.42E+04 6.19E+04 5.92E+04 6.83E+04 6.48E+04 5.13E+04 7.30E+04 5.86E+04 3.87E+04 6.04E+04 6.81E+04 6.27E+04 6.69E+04 3.24E+04 7.73E+04 6.88E+04 Dihomo-gamma-linolenic acid ((8Z-11Z-14Z)-Icosatrienoic acid) 1.07E+06 8.44E+05 6.43E+05 1.20E+06 1.03E+06 6.88E+05 5.88E+05 7.55E+05 7.02E+05 8.99E+05 9.55E+05 7.80E+05 7.89E+05 9.69E+05 1.15E+06 3.48E+05 3.41E+05 3.77E+05 4.13E+05 4.09E+05 2.40E+05 2.43E+05 2.61E+05 2.21E+05 2.77E+05 2.91E+05 2.70E+05 2.91E+05 2.75E+05 2.51E+05 5.19E+05 4.37E+05 4.11E+05 3.53E+05 4.79E+05 4.03E+05 3.59E+05 2.61E+05 3.53E+05 3.48E+05 4.87E+05 2.28E+05 3.23E+05 2.74E+05 3.05E+05 3.33E+05 3.14E+05 3.33E+05 2.76E+05 2.56E+05 3.74E+05 3.42E+05 2.51E+05 3.26E+05 3.19E+05 3.00E+05 3.56E+05 2.05E+05 2.59E+05 2.71E+05 Docosapentaenoic acid ((7Z-10Z-13Z-16Z-19Z)-Docosa-7-10-13-16-19-pentaenoic acid) 2.73E+06 1.88E+06 1.85E+06 3.07E+06 2.87E+06 1.74E+06 1.26E+06 2.09E+06 2.03E+06 2.07E+06 2.67E+06 2.21E+06 2.28E+06 2.69E+06 2.51E+06 6.79E+05 5.89E+05 6.46E+05 6.27E+05 6.97E+05 4.25E+05 3.53E+05 4.56E+05 4.01E+05 5.10E+05 4.28E+05 4.27E+05 4.23E+05 4.05E+05 4.51E+05 7.23E+05 4.74E+05 4.65E+05 5.18E+05 5.84E+05 7.08E+05 6.45E+05 4.87E+05 7.16E+05 5.68E+05 4.79E+05 2.07E+05 3.54E+05 2.67E+05 3.46E+05 4.17E+05 3.86E+05 4.20E+05 3.77E+05 2.77E+05 4.89E+05 4.46E+05 2.73E+05 3.85E+05 4.10E+05 3.92E+05 4.97E+05 2.59E+05 5.85E+05 5.01E+05 Undecanoic acid 2.68E+05 1.54E+05 2.26E+05 2.38E+05 2.74E+05 1.93E+05 2.52E+05 2.41E+05 2.67E+05 1.85E+05 2.64E+05 2.47E+05 2.44E+05 2.58E+05 2.64E+05 2.16E+05 1.25E+05 2.14E+05 2.26E+05 2.58E+05 2.58E+05 2.18E+05 2.34E+05 2.14E+05 2.60E+05 2.36E+05 2.34E+05 2.06E+05 1.89E+05 2.41E+05 2.20E+05 2.09E+05 2.21E+05 2.28E+05 2.24E+05 1.92E+05 2.31E+05 1.93E+05 1.88E+05 1.99E+05 2.28E+05 2.35E+05 2.10E+05 1.42E+05 2.16E+05 2.11E+05 2.11E+05 2.10E+05 1.94E+05 1.60E+05 2.26E+05 2.10E+05 1.98E+05 1.96E+05 2.36E+05 1.77E+05 2.18E+05 2.10E+05 1.97E+05 2.13E+05 Glycochenodeoxycholate (primary/conjugated) 4.84E+03 3.82E+03 4.61E+03 6.45E+03 1.61E+04 3.01E+03 1.37E+04 7.43E+03 6.37E+03 5.09E+03 5.62E+03 3.26E+03 5.80E+03 5.55E+03 5.55E+03 4.24E+04 4.62E+04 5.88E+04 5.63E+04 1.03E+05 4.64E+04 4.60E+04 3.90E+04 4.46E+04 4.18E+04 7.69E+04 5.42E+04 5.12E+04 5.04E+04 5.23E+04 0.00E+00 0.00E+00 0.00E+00 1.28E+04 0.00E+00 0.00E+00 0.00E+00 1.39E+04 0.00E+00 1.33E+04 0.00E+00 1.43E+04 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 1.07E+04 1.35E+04 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 2.57E+04 0.00E+00 0.00E+00 Taurodeoxycholate (primary/conjugated) 5.29E+03 6.16E+03 4.36E+03 8.07E+03 8.91E+03 5.67E+03 9.15E+03 1.36E+04 7.74E+03 7.22E+03 6.82E+03 5.10E+03 8.48E+03 9.96E+03 6.88E+03 4.20E+04 4.40E+04 4.71E+04 4.48E+04 9.16E+04 3.42E+04 4.96E+04 4.19E+04 3.69E+04 3.35E+04 6.59E+04 5.25E+04 4.76E+04 5.30E+04 4.57E+04 2.76E+03 8.43E+03 1.66E+03 3.23E+03 5.78E+03 7.95E+03 6.79E+03 1.10E+04 6.81E+03 7.75E+03 3.71E+03 1.33E+04 4.10E+03 2.61E+03 1.40E+03 1.05E+04 9.35E+03 1.01E+04 1.15E+04 3.47E+03 5.32E+03 5.45E+03 4.37E+03 1.89E+03 4.10E+03 1.09E+04 6.22E+03 6.23E+03 5.69E+03 6.25E+03 9(S)-HODE 2.29E+04 3.03E+04 2.28E+04 3.72E+04 4.62E+04 3.15E+04 7.88E+05 2.78E+04 4.47E+04 3.96E+04 1.90E+04 2.31E+04 2.07E+04 1.99E+04 1.97E+04 2.16E+04 2.13E+04 2.17E+04 1.79E+04 2.02E+04 2.47E+04 2.33E+04 2.28E+04 2.19E+04 2.00E+04 2.02E+04 2.44E+04 2.28E+04 2.16E+04 1.95E+04 1.20E+05 2.31E+06 8.76E+05 6.95E+05 4.28E+05 2.18E+05 5.45E+05 2.13E+06 4.20E+05 1.71E+06 7.78E+04 3.23E+06 2.13E+05 6.53E+05 2.88E+05 3.67E+05 1.21E+06 3.16E+05 1.81E+05 1.30E+06 3.91E+05 2.71E+05 8.12E+05 6.88E+05 1.42E+05 4.73E+05 4.18E+05 3.17E+06 2.38E+05 2.96E+05 (±)12(13)-DiHOME 4.50E+04 6.54E+04 5.83E+04 4.90E+04 6.79E+04 6.62E+04 4.23E+06 5.10E+04 6.02E+04 6.71E+04 5.77E+04 5.61E+04 5.96E+04 5.70E+04 4.76E+04 8.17E+04 9.16E+03 7.04E+04 7.86E+04 7.69E+04 6.10E+04 8.32E+04 6.81E+04 6.59E+04 5.97E+04 6.39E+04 7.10E+04 8.41E+04 7.60E+04 5.65E+04 7.26E+05 5.01E+06 2.67E+06 2.30E+06 1.73E+06 1.11E+06 1.89E+06 6.02E+06 1.53E+06 3.10E+06 4.15E+05 6.93E+06 9.83E+05 2.05E+06 1.48E+06 1.30E+06 2.31E+06 1.33E+06 9.45E+05 3.19E+06 1.51E+06 1.27E+06 3.14E+06 2.43E+06 9.88E+05 1.77E+06 1.37E+06 6.29E+06 1.15E+06 1.18E+06 13-OxoODE 9.38E+03 8.56E+03 8.10E+03 1.29E+04 1.12E+04 7.84E+03 8.81E+04 9.01E+03 1.39E+04 1.03E+04 7.96E+03 8.03E+03 8.44E+03 8.06E+03 8.32E+03 7.71E+03 5.99E+03 5.41E+03 7.19E+03 7.19E+03 8.02E+03 6.89E+03 6.28E+03 5.76E+03 6.50E+03 5.97E+03 8.14E+03 6.29E+03 6.01E+03 6.67E+03 2.65E+04 9.28E+04 4.98E+04 6.38E+04 4.93E+04 3.81E+04 4.80E+04 1.19E+05 3.31E+04 7.27E+04 1.98E+04 1.34E+05 3.13E+04 3.96E+04 2.89E+04 3.30E+04 6.10E+04 3.63E+04 2.44E+04 6.52E+04 4.45E+04 3.40E+04 8.19E+04 5.32E+04 2.66E+04 4.21E+04 3.94E+04 1.31E+05 3.02E+04 2.92E+04 Prostaglandin A2 3.57E+03 2.97E+03 3.37E+03 3.02E+03 3.44E+03 3.70E+03 5.63E+03 3.25E+03 2.59E+03 2.72E+03 2.78E+03 2.45E+03 2.28E+03 2.60E+03 2.64E+03 1.80E+03 2.76E+03 3.04E+03 2.35E+03 3.50E+03 3.35E+03 2.64E+03 1.02E+04 2.19E+03 1.93E+03 3.86E+03 3.96E+03 3.59E+03 3.41E+03 4.03E+03 3.20E+04 2.58E+04 2.67E+04 2.83E+04 1.71E+04 2.11E+03 3.89E+03 1.30E+04 6.82E+03 7.70E+03 2.80E+04 0.00E+00 1.92E+04 1.94E+04 2.28E+04 5.27E+03 5.01E+03 4.00E+03 1.35E+03 3.17E+03 2.40E+04 1.67E+04 1.02E+04 1.77E+04 1.51E+04 3.55E+03 1.97E+03 0.00E+00 3.68E+03 3.41E+03 Prostaglandin D2/Thromboxane A2 (isobars) 4.16E+05 3.21E+05 4.74E+05 4.09E+05 4.26E+05 3.53E+05 1.45E+05 3.36E+05 3.98E+05 4.95E+05 4.28E+05 3.70E+05 4.13E+05 4.12E+05 4.33E+05 3.26E+05 2.31E+05 3.44E+05 2.58E+05 2.80E+05 3.31E+05 3.50E+05 3.59E+05 3.56E+05 3.99E+05 3.39E+05 3.16E+05 2.86E+05 2.77E+05 2.77E+05 1.56E+05 1.17E+05 1.32E+05 1.54E+05 1.29E+05 1.16E+05 1.17E+05 9.67E+04 1.15E+05 1.31E+05 1.24E+05 9.40E+04 1.19E+05 9.71E+04 1.42E+05 1.33E+05 1.15E+05 1.55E+05 1.36E+05 1.06E+05 1.33E+05 1.33E+05 1.10E+05 1.10E+05 1.49E+05 1.11E+05 1.29E+05 9.76E+04 1.47E+05 1.41E+05 Prostaglandin F2alpha/beta/D1 (isobars) 6.44E+03 4.71E+03 5.72E+03 4.73E+03 5.38E+03 3.62E+03 1.54E+05 3.73E+03 7.63E+03 3.26E+03 3.79E+03 7.40E+03 5.77E+03 6.90E+03 6.30E+03 1.30E+03 3.17E+03 7.71E+02 9.24E+02 9.42E+02 3.46E+03 1.48E+03 4.05E+03 1.34E+03 4.52E+03 2.94E+03 3.87E+03 2.02E+03 2.37E+03 3.92E+03 4.71E+04 3.46E+04 4.98E+04 3.72E+04 4.08E+04 4.74E+04 3.83E+04 6.03E+04 5.67E+04 3.77E+04 9.63E+04 3.07E+04 4.78E+04 3.72E+04 5.44E+04 3.12E+04 2.95E+04 3.57E+04 3.75E+04 3.42E+04 2.80E+04 3.71E+04 4.00E+04 3.64E+04 4.64E+04 2.39E+04 3.63E+04 4.01E+04 4.25E+04 3.75E+04 Prostaglandin D3 (isobars) 3.35E+04 2.29E+04 2.95E+04 5.50E+04 3.92E+04 3.43E+04 1.57E+04 2.88E+04 3.35E+04 3.79E+04 2.85E+04 2.82E+04 3.15E+04 3.08E+04 3.40E+04 3.31E+04 2.05E+04 3.67E+04 2.93E+04 2.87E+04 4.09E+04 2.65E+04 3.39E+04 3.10E+04 3.12E+04 3.23E+04 2.74E+04 3.21E+04 2.26E+04 3.39E+04 2.41E+04 1.01E+04 1.77E+04 1.83E+04 2.04E+04 1.68E+04 1.79E+04 6.64E+03 1.41E+04 1.55E+04 2.91E+04 6.32E+03 2.13E+04 1.28E+04 1.72E+04 2.41E+04 1.78E+04 2.32E+04 2.60E+04 1.05E+04 1.96E+04 2.08E+04 9.02E+03 1.36E+04 2.29E+04 1.44E+04 2.05E+04 7.41E+03 2.02E+04 2.41E+04 Thromboxane B2 3.65E+03 3.08E+03 2.41E+03 2.51E+03 6.89E+03 4.86E+03 7.14E+04 5.91E+03 4.69E+03 4.91E+03 3.53E+03 3.12E+03 3.16E+03 2.79E+03 2.49E+03 3.94E+03 4.57E+03 3.98E+03 4.29E+03 5.17E+03 1.33E+03 3.89E+03 3.19E+03 2.50E+03 3.47E+03 4.43E+03 5.43E+03 4.60E+03 4.47E+03 4.81E+03 6.31E+04 7.50E+04 8.88E+04 6.33E+04 6.81E+04 2.77E+04 1.90E+04 1.08E+05 8.58E+04 1.20E+05 3.33E+04 1.25E+05 5.86E+04 5.78E+04 6.27E+04 4.61E+04 3.65E+04 4.55E+04 4.66E+04 7.32E+04 8.76E+04 4.64E+04 8.05E+04 5.10E+04 4.43E+04 3.04E+04 1.89E+04 2.35E+05 3.63E+04 3.03E+04 Cholesterol sulfate 9.97E+04 2.51E+05 1.24E+05 2.50E+05 2.36E+05 1.50E+05 1.72E+05 1.09E+05 1.42E+05 3.96E+05 1.09E+05 1.05E+05 1.01E+05 1.27E+05 9.84E+04 7.25E+04 1.68E+05 8.15E+04 7.51E+04 6.69E+04 6.51E+04 1.18E+05 6.41E+04 6.84E+04 3.71E+04 4.33E+04 5.60E+04 8.76E+04 7.69E+04 4.39E+04 6.46E+04 7.64E+04 7.67E+04 6.14E+04 6.48E+04 5.20E+04 6.07E+04 7.45E+04 7.98E+04 1.20E+05 4.65E+04 6.19E+04 5.09E+04 6.26E+04 4.91E+04 3.66E+04 5.23E+04 4.45E+04 5.34E+04 6.41E+04 5.50E+04 5.01E+04 8.11E+04 5.57E+04 7.87E+04 4.44E+04 5.38E+04 7.05E+04 5.04E+04 5.48E+04 Cortisol 5.41E+03 3.60E+03 3.08E+03 3.55E+03 4.55E+03 6.27E+03 2.34E+05 1.08E+04 3.69E+03 7.18E+03 6.15E+03 7.94E+03 3.73E+03 7.74E+03 5.99E+03 3.62E+03 4.31E+03 2.38E+03 2.44E+03 2.57E+03 2.28E+03 2.33E+03 1.95E+03 4.44E+03 2.99E+03 1.58E+03 1.93E+03 2.32E+03 2.83E+03 2.44E+03 9.12E+04 2.05E+05 1.13E+05 1.74E+05 1.35E+05 1.60E+05 1.16E+05 1.62E+05 1.54E+05 1.45E+05 8.72E+04 1.36E+05 1.09E+05 2.06E+05 1.24E+05 1.02E+05 1.16E+05 1.10E+05 1.11E+05 1.95E+05 1.49E+05 1.82E+05 2.35E+05 1.40E+05 1.17E+05 1.85E+05 1.20E+05 1.61E+05 1.29E+05 1.34E+05 Biliverdin 4.83E+04 0.00E+00 3.03E+04 6.35E+04 3.04E+04 0.00E+00 1.25E+05 3.43E+03 6.69E+04 3.53E+03 2.09E+04 3.74E+04 3.63E+04 4.58E+04 6.55E+04 1.22E+05 1.35E+05 1.40E+05 3.96E+04 8.22E+04 5.12E+04 6.53E+04 1.09E+05 3.62E+04 1.08E+05 5.25E+04 2.33E+04 4.23E+04 4.99E+04 6.64E+04 0.00E+00 6.13E+03 6.33E+03 0.00E+00 0.00E+00 4.28E+03 0.00E+00 0.00E+00 0.00E+00 6.97E+03 3.23E+03 0.00E+00 0.00E+00 4.31E+03 5.53E+03 0.00E+00 0.00E+00 4.42E+03 5.10E+03 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 3.46E+03 0.00E+00 0.00E+00 0.00E+00 0.00E+00 4.29E+03 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name CmpdID parent medRt ATP C00002 505.9884 0.56 ADP C00008 426.0220 0.58 GDP C00035 442.0171 0.56 GMP C00144 362.0512 0.60 CTP C00063 481.9770 0.55 CDP C00112 402.0107 0.58 CMP C00055 322.0444 0.60 Cytidine C00475 242.0796 0.62 Thymidine C00214 241.0821 0.66 Thymine C00178 125.0342 0.62 UTP C00075 482.9611 0.54 UMP C00105 323.0284 0.60 Uracil C00106 111.0186 0.60 IMP C00130 347.0399 0.60 Inosine C00294 267.0732 0.64 Xanthine C00385 151.0250 0.65 (S)(+)-Allantoin C02350 157.0357 0.65 Urate C00366 167.0201 0.62 Adenylosuccinic acid C03794 462.0667 0.53 UDP-glucose C00029 565.0474 0.55 ADP-D-ribose C01882 558.0652 0.59 NADPH C00005 744.0820 0.53 NADH C00004 664.1163 0.63 Diphosphate C00013 176.9349 0.58 D-Glucose C00031 179.0554 0.64 D-Glucose 6/1-phosphate C02965 259.0224 0.58 D-Fructose 1-6-bisphosphate C00354 338.9886 0.54 D-Glyceraldehyde 3-phosphate/Glycerone phosphate C00118 168.9892 0.58 2/3-Phospho-D-glycerate C00631 184.9847 0.56 Phosphoenolpyruvate C00074 166.9740 0.56 Pyruvate C00022 87.0073 0.61 Lactate C01432 89.0229 0.61 Maltose C00208 341.1091 0.64 Mannitol/Sorbitol C00392/C00794 181.0707 0.65 D-Ribose C00121 149.0450 0.63 D-Rhamnose C01684 163.0612 1.81 D-Arabitol C01904 151.0609 0.62 Citrate C00158 191.0188 0.59 2-Oxoglutarate C00026 145.0136 0.58 2-Oxoglutaramate C00940 144.0290 0.61 Succinate C00042 117.0180 0.58 Fumarate C00122 115.0024 0.59 Malate C00149 133.0131 0.58 Oxaloacetate C00036 130.9998 0.59 2-Hydroxyglutarate/Citramalate C02630 147.0292 0.58 6-Phospho-D-gluconate C00345 275.0181 0.59 D-Erythrose 4-phosphate C00279 199.0057 0.64 Sedoheptulose 1/7-phosphate C06222 289.0338 0.58 alpha-D-Ribose 1-phosphate C00620 229.0120 0.59 5-Phospho-alpha-D-ribose 1-diphosphate C00119 388.9435 0.55 Glutathione disulfide C00127 611.1446 0.55 Ascorbate C00072 175.0243 0.57 Dehydroascorbate C05422 173.0081 0.57 gamma-L-Glutamyl-L-cysteine C00669 249.0562 0.60 L-gamma-Glutamyl-L-hypoglycin C08280 269.1147 0.65 (5-L-Glutamyl)-L-glutamine C05283 274.1042 0.58 5-L-Glutamyl-taurine C05844 253.0495 0.59 Cystathionine C00542 221.0662 1.84 3-Phosphonooxypyruvate C03232 182.9683 0.67 Argininosuccinate C03406 289.1164 0.59 N-Acetylneuraminate C00270 308.0987 0.60 N-Glycoloyl-neuraminate C03410 324.0936 0.59 alpha-D-Glucosamine 1-phosphate C06156 258.0384 0.59 1-4-beta-D-Xylan C02352 131.0339 0.62 UDP-N-acetyl-D-glucosamine C00043 606.0743 0.55 CMP-N-acetylneuraminate C00128 613.1399 0.55 Glycolate C00160 75.0073 0.62 N-Acetyl-L-citrulline C15532 216.0976 0.63 5-6-Dihydrouracil C00429 113.0342 0.62 3-Sulfino-L-alanine C00606 152.0013 0.61 Thiocysteine C01962 151.9867 0.63 L-Selenomethionine C05335 195.9913 0.70 L-Cysteate C00506 167.9962 0.62 (R)-S-Lactoylglutathione C03451 378.0901 0.63 Indolepyruvate C00331 202.0480 0.66 3D-(3-5/4)-Trihydroxycyclohexane-1-2-dione C04287 159.0292 0.62 1D-myo-Inositol 1-4-bisphosphate C01220 338.9888 0.54 Glycerol 3-phosphate C00093 171.0045 0.58 Ethanolamine phosphate C00346 140.0106 0.60 N-Methylethanolamine phosphate C01210 154.0261 0.60 Sphinganine 1-phosphate C01120 380.2651 3.10 Propionic/Propanoic acid C00163 73.0280 0.59 Butanoic/Butyric acid C00246 87.0436 0.64 Pentanoate (valerate) C00803 101.0594 1.76 Hexanoic acid (caproate) C01585 115.0752 1.80 Heptanoic acid C17714 129.0908 1.91 Octanoic acid (caprylic acid) C06423 143.1065 2.06 Nonanoic acid (pelargonic acid) C01601 157.1223 2.15 Decanoic acid (capric acid) C01571 171.1380 2.23 Dodecanoic acid (lauric acid) C02679 199.1698 2.43 Tetradecanoic acid (myristic acid) C06424 227.2012 2.70 Hexadecanoic acid (palmitic acid) C00249 255.2326 3.11 Octadecanoic acid (stearic acid) C01530 283.2641 3.74 Tetradecenoic acid (myristoleic acid) C08322 225.1856 2.48 Hexadecenoic acid (Palmitoleic acid) C08362 253.2171 2.77 Octadecenoic acid (Oleic acid) C00712 281.2485 3.16 Linoleic acid ((9Z,12Z)-Octadecadienoic acid) C01595 279.2330 2.82 a-Linolenic acid (Octadecatrienoic acid) C06427 277.2173 2.61 Arachidonic acid (Eicosatetraenoic acid) C00219 303.2330 2.71 Stearidonic acid ((6Z,9Z,12Z,15Z)-Octadecatetraenoic acid) C16300 275.2018 2.49 Adrenic acid (7,10,13,16-Docosatetraenoic acid) C16527 331.2643 3.00 Eicosapentaenoic acid C06428 301.2175 2.52 Dihomo-gamma-linolenic acid ((8Z-11Z-14Z)-Icosatrienoic acid) C03242 305.2487 2.90 Docosapentaenoic acid ((7Z-10Z-13Z-16Z-19Z)-Docosa-7-10-13-16-19-pentaenoic acid) C16513 329.2487 2.73 Undecanoic acid C17715 185.1540 2.33 Glycochenodeoxycholate (primary/conjugated) C05466 448.3049 1.84 Taurodeoxycholate (primary/conjugated) C05463 498.2892 1.83 9(S)-HODE C14767 295.2281 2.39 (±)12(13)-DiHOME infllpd-01 313.2386 2.09 13-OxoODE infllpd-05 293.2127 2.28 Prostaglandin A2 C05953 333.2094 1.96 Prostaglandin D2/Thromboxane A2 (isobars) C00696 351.2207 3.11 Prostaglandin F2alpha/beta/D1 (isobars) C00639 353.2279 2.70 Prostaglandin D3 (isobars) C13802 349.2051 2.77 Thromboxane B2 C05963 369.2297 1.87 Cholesterol sulfate C18043 465.3057 2.13 Cortisol C00735 361.2018 1.80 Biliverdin C00500 581.2563 0.66 METABOLITES_END #END