#METABOLOMICS WORKBENCH RCulpHill_20190813_070049 DATATRACK_ID:1797 STUDY_ID:ST001241 ANALYSIS_ID:AN002062 PROJECT_ID:PR000831 VERSION 1 CREATED_ON August 19, 2019, 8:12 pm #PROJECT PR:PROJECT_TITLE Trisomy 21 activates the kynurenine pathway via increased dosage of interferon PR:PROJECT_TITLE receptors PR:PROJECT_SUMMARY Trisomy 21 (T21) causes Down syndrome (DS), affecting immune and neurological PR:PROJECT_SUMMARY function by unknown mechanisms. We report here a large metabolomics study of PR:PROJECT_SUMMARY plasma and cerebrospinal fluid showing that people with DS produce elevated PR:PROJECT_SUMMARY levels of kynurenine and quinolinic acid, two tryptophan catabolites with potent PR:PROJECT_SUMMARY immunosuppressive and neurotoxic properties, respectively. We demonstrate that PR:PROJECT_SUMMARY immune cells of people with DS overexpress IDO1, the rate-limiting enzyme in the PR:PROJECT_SUMMARY kynurenine pathway (KP) and a known interferon (IFN)-stimulated gene. PR:PROJECT_SUMMARY Furthermore, we show positive correlations among levels of IFN-inducible PR:PROJECT_SUMMARY cytokines and KP dysregulation. Using metabolic tracing assays, we determine PR:PROJECT_SUMMARY that IFN stimulation causes IDO1 overexpression and kynurenine overproduction in PR:PROJECT_SUMMARY cells with T21, dependent on overexpression of IFN receptors encoded on PR:PROJECT_SUMMARY chromosome 21. Finally, we show a mouse model of DS carrying triplication of the PR:PROJECT_SUMMARY IFN receptors exhibits KP dysregulation. Altogether, these results reveal a PR:PROJECT_SUMMARY mechanism by which T21 could drive immunosuppression and neurotoxicity in DS. PR:INSTITUTE University of Colorado Denver PR:LAST_NAME Culp-Hill PR:FIRST_NAME Rachel PR:ADDRESS 12801 E 17th Ave L18-9403D, Aurora, Colorado, 80045, USA PR:EMAIL rachel.hill@cuanschutz.edu PR:PHONE 303-724-5798 #STUDY ST:STUDY_TITLE Global Metabolic Analysis Trisomy 21 - Cohort 3, Plasma ST:STUDY_SUMMARY Global metabolic analysis of plasma from individuals with and without trisomy ST:STUDY_SUMMARY 21. ST:INSTITUTE University of Colorado Denver ST:LAST_NAME Culp-Hill ST:FIRST_NAME Rachel ST:ADDRESS 12801 E 17th Ave L18-9403D, Aurora, Colorado, 80045, USA ST:EMAIL rachel.hill@cuanschutz.edu ST:PHONE 303-724-5798 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:AGE_OR_AGE_RANGE 0.5 - 76.5 SU:GENDER Male and female #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - nHTP_5pos_D21_1-1-9BN7 Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_D21_1-2-3MZX Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_D21_1-3-4UDC Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_D21_1-4-8UHC Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_D21_1-7-6CNN Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_D21_1-9-5BBH Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_D21_1-10-3TML Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_D21_1-11-3UU4 Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_D21_1-13-2AYD Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_D21_1-15-0RED Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_D21_1-47-2AMQ Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_D21_1-51-2MT7 Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_D21_1-52-6YZK Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_D21_1-55-5CHY Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_D21_1-60-0YGG Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_D21_1-65-7VN0 Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_D21_1-67-6MX8 Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_D21_1-69-7PTF Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_D21_1-70-6PY4 Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_D21_1-71-6RUQ Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_D21_1-72-4PGJ Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_D21_1-73-1BX5 Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_D21_1-74-7KCK Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_D21_1-76-3XMZ Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_D21_1-77-9AYB Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_D21_1-78-6ULA Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_D21_1-79-4UE4 Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_D21_1-83-2BDX Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_D21_1-84-4UWU Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_D21_1-85-0KM5 Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_D21_1-86-2RHE Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_D21_1-87-8AF8 Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_D21_1-88-0HF9 Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_D21_1-89-7GXD Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_D21_1-93-1NRT Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_D21_1-94-1UJ7 Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_D21_1-95-8GZF Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_D21_2-1-2GGN Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_D21_2-2-5NL0 Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_D21_2-3-5KPV Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_D21_2-6-8XWP Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_D21_2-7-9JX3 Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_D21_2-8-3XHT Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_D21_2-9-8HZ9 Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_D21_2-10-2JAL Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_D21_2-11-4ZCA Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_D21_2-12-6LKL Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_D21_2-13-0CYL Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_D21_2-16-5MH0 Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_D21_2-18-0GGN Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_D21_2-19-4VEE Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_D21_2-20-2YMY Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_D21_1-3CMM Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_D21_3-8FHC Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_T21_1-5-1GY7 Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_T21_1-6-0EE7 Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_T21_1-8-4PMR Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_T21_1-12-4LD9 Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_T21_1-14-4VXW Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_T21_1-16-7KNQ Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_T21_1-17-7EHX Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_T21_1-18-5CHL Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_T21_1-19-5ZWX Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_T21_1-20-5FY5 Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_T21_1-21-6TLT Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_T21_1-22-6DP4 Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_T21_1-23-0YAH Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_T21_1-24-4GUY Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_T21_1-25-2XUP Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_T21_1-26-5XRL Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_T21_1-27-6ZW0 Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_T21_1-28-5RRG Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_T21_1-29-5RGW Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_T21_1-30-1FZY Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_T21_1-31-3JKP Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_T21_1-32-3WYK Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_T21_1-33-1NZ1 Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_T21_1-34-0VWZ Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_T21_1-35-6EWH Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_T21_1-36-9CVU Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_T21_1-37-5ZL6 Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_T21_1-38-3LZ7 Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_T21_1-39-1CLB Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_T21_1-40-0MZ9 Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_T21_1-41-0VFZ Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_T21_1-42-1MWV Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_T21_1-43-2KFA Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_T21_1-44-1HKK Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_T21_1-45-7LKJ Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_T21_1-46-4BBH Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_T21_1-48-2MMJ Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_T21_1-49-0PFV Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_T21_1-50-2CD7 Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_T21_1-53-3MXT Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_T21_1-54-2AVT Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_T21_1-56-6GTA Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_T21_1-57-4GE0 Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_T21_1-58-6EX8 Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_T21_1-59-1PPQ Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_T21_1-61-8PP5 Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_T21_1-62-8NJ3 Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_T21_1-63-0UYM Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_T21_1-64-0XRV Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_T21_1-66-5TRE Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_T21_1-68-4UEC Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_T21_1-75-6NMG Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_T21_1-80-3RCZ Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_T21_1-81-5YNB Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_T21_1-82-3HTP Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_T21_1-90-5JX6 Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_T21_1-91-6CEC Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_T21_1-92-4GDZ Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_T21_1-96-3KGT Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_T21_2-4-4AHX Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_T21_2-5-9RZH Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_T21_2-14-2NH4 Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_T21_2-15-0FPN Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_T21_2-17-5TJT Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_T21_2-21-5EY4 Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_T21_2-22-1XL6 Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_T21_2-23-9AAT Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_T21_2-24-0NL4 Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_T21_2-25-0NB8 Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_T21_2-26-4ZRU Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_T21_2-27-7LEW Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_T21_2-28-7WZ3 Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_T21_2-29-5PPX Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_T21_2-8AUL Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5pos_T21_4-3XNJ Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_D21_1-1-9BN7 Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_D21_1-2-3MZX Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_D21_1-3-4UDC Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_D21_1-4-8UHC Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_D21_1-7-6CNN Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_D21_1-9-5BBH Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_D21_1-10-3TML Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_D21_1-11-3UU4 Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_D21_1-13-2AYD Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_D21_1-15-0RED Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_D21_1-47-2AMQ Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_D21_1-51-2MT7 Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_D21_1-52-6YZK Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_D21_1-55-5CHY Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_D21_1-60-0YGG Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_D21_1-65-7VN0 Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_D21_1-67-6MX8 Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_D21_1-69-7PTF Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_D21_1-70-6PY4 Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_D21_1-71-6RUQ Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_D21_1-72-4PGJ Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_D21_1-73-1BX5 Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_D21_1-74-7KCK Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_D21_1-76-3XMZ Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_D21_1-77-9AYB Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_D21_1-78-6ULA Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_D21_1-79-4UE4 Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_D21_1-83-2BDX Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_D21_1-84-4UWU Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_D21_1-85-0KM5 Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_D21_1-86-2RHE Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_D21_1-87-8AF8 Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_D21_1-88-0HF9 Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_D21_1-89-7GXD Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_D21_1-93-1NRT Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_D21_1-94-1UJ7 Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_D21_1-95-8GZF Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_D21_2-1-2GGN Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_D21_2-2-5NL0 Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_D21_2-3-5KPV Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_D21_2-6-8XWP Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_D21_2-7-9JX3 Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_D21_2-8-3XHT Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_D21_2-9-8HZ9 Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_D21_2-10-2JAL Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_D21_2-11-4ZCA Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_D21_2-12-6LKL Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_D21_2-13-0CYL Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_D21_2-16-5MH0 Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_D21_2-18-0GGN Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_D21_2-19-4VEE Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_D21_2-20-2YMY Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_D21_1-3CMM Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_D21_3-8FHC Cohort:D21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-5-1GY7 Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-6-0EE7 Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-8-4PMR Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-12-4LD9 Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-14-4VXW Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-16-7KNQ Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-17-7EHX Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-18-5CHL Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-19-5ZWX Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-20-5FY5 Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-21-6TLT Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-22-6DP4 Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-23-0YAH Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-24-4GUY Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-25-2XUP Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-26-5XRL Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-27-6ZW0 Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-28-5RRG Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-29-5RGW Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-30-1FZY Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-31-3JKP Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-32-3WYK Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-33-1NZ1 Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-34-0VWZ Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-35-6EWH Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-36-9CVU Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-37-5ZL6 Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-38-3LZ7 Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-39-1CLB Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-40-0MZ9 Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-41-0VFZ Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-42-1MWV Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-43-2KFA Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-44-1HKK Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-45-7LKJ Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-46-4BBH Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-48-2MMJ Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-49-0PFV Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-50-2CD7 Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-53-3MXT Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-54-2AVT Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-56-6GTA Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-57-4GE0 Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-58-6EX8 Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-59-1PPQ Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-61-8PP5 Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-62-8NJ3 Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-63-0UYM Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-64-0XRV Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-66-5TRE Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-68-4UEC Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-75-6NMG Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-80-3RCZ Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-81-5YNB Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-82-3HTP Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-90-5JX6 Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-91-6CEC Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-92-4GDZ Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_1-96-3KGT Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_2-4-4AHX Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_2-5-9RZH Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_2-14-2NH4 Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_2-15-0FPN Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_2-17-5TJT Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_2-21-5EY4 Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_2-22-1XL6 Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_2-23-9AAT Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_2-24-0NL4 Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_2-25-0NB8 Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_2-26-4ZRU Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_2-27-7LEW Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_2-28-7WZ3 Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_2-29-5PPX Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_2-8AUL Cohort:T21 SUBJECT_SAMPLE_FACTORS - nHTP_5neg_T21_4-3XNJ Cohort:T21 #COLLECTION CO:COLLECTION_SUMMARY All human subjects in this study were consented according to Colorado Multiple CO:COLLECTION_SUMMARY Institutional Review Board (COMIRB)-approved protocols. Written informed consent CO:COLLECTION_SUMMARY was obtained from parents or guardians of participants under the age of 18, and CO:COLLECTION_SUMMARY assent was obtained from participants over the age of 7 who were cognitively CO:COLLECTION_SUMMARY able to assent. Deidentified plasma samples for Cohort 1 were obtained from the CO:COLLECTION_SUMMARY Translational Nexus Clinical Data Registry and Biobank (University of Colorado CO:COLLECTION_SUMMARY Anschutz Medical Campus, COMIRB 08-1276). Additional plasma and WBC samples were CO:COLLECTION_SUMMARY obtained through the Crnic’s Institute Human Trisome Project (University of CO:COLLECTION_SUMMARY Colorado Anschutz Medical Campus, COMIRB 15-2170, www.trisome.org). Plasma was CO:COLLECTION_SUMMARY collected in Vacutainer tubes (EDTA–purple capped or Lithium heparin–light CO:COLLECTION_SUMMARY green capped) and stored at -80°C. Participant medical history was collected by CO:COLLECTION_SUMMARY the respective biobanks. CO:SAMPLE_TYPE Blood (plasma) #TREATMENT TR:TREATMENT_SUMMARY N/A #SAMPLEPREP SP:SAMPLEPREP_SUMMARY For plasma analyses, a volume of 20μL of was extracted in 480μL of ice-cold SP:SAMPLEPREP_SUMMARY methanol:acetonitrile:water (5:3:2). For CSF analyses, a volume of 20μL was SP:SAMPLEPREP_SUMMARY extracted in 180μL and for cell-based experiments, 2 million cells were SP:SAMPLEPREP_SUMMARY extracted in 1mL of the same ice-cold lysis solution. Subsequently, these SP:SAMPLEPREP_SUMMARY solutions were vortexed for 30 minutes at 4°C. Insoluble proteins were pelleted SP:SAMPLEPREP_SUMMARY by centrifugation (10 minutes at 4°C and 12,000 g) and supernatants were SP:SAMPLEPREP_SUMMARY collected and stored at -80°C until analysis. For quantitative analysis of SP:SAMPLEPREP_SUMMARY kynurenine pathway (KP) metabolites, supernatants were spun in a Speedvac until SP:SAMPLEPREP_SUMMARY dry and resuspended in 0.1% formic acid in water as previously described (PMID: SP:SAMPLEPREP_SUMMARY 30213797, 30143553). #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY UHPLC-MS metabolomics analyses were performed using a Vanquish UHPLC system CH:CHROMATOGRAPHY_SUMMARY coupled online to a Q Exactive mass spectrometer (Thermo Fisher, Bremen, CH:CHROMATOGRAPHY_SUMMARY Germany). 20uL of supernatant was injected for each sample. Samples were CH:CHROMATOGRAPHY_SUMMARY resolved over a Kinetex C18 column (2.1x150 mm, 1.7μm; Phenomenex, Torrance, CH:CHROMATOGRAPHY_SUMMARY CA, USA) at 45°C using a 5-minute gradient at 450μL/minute from 0-100% B (A: CH:CHROMATOGRAPHY_SUMMARY 95% water/5% acetonitrile, 1mM NH4OAc; B: 95% acetonitrile/5% water, 1mM NH4OAc) CH:CHROMATOGRAPHY_SUMMARY for negative mode. To monitor possible technical variability, aliquots of each CH:CHROMATOGRAPHY_SUMMARY of the individual samples were combined to make technical replicates, which were CH:CHROMATOGRAPHY_SUMMARY run after every 15 samples. Additionally, in each experiment, several lysis CH:CHROMATOGRAPHY_SUMMARY solution aliquots were run as blanks for artifact identification. CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Thermo Vanquish CH:COLUMN_NAME Phenomenex Kinetex C18 (150 x 2.1mm, 2.6 um) CH:FLOW_GRADIENT 0-100% B CH:FLOW_RATE 450uL/min CH:COLUMN_TEMPERATURE 45 CH:METHODS_FILENAME 5MMneg_method.pdf CH:SOLVENT_A 95% water/5% acetonitrile, 1mM NH4OAc CH:SOLVENT_B 95% acetonitrile/5% water, 1mM NH4OAc CH:ANALYTICAL_TIME 5min #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME D'Alessandro Lab AN:OPERATOR_NAME Rachel Culp-Hill #MS MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS The Q Exactive mass spectrometer (Thermo Fisher Scientific, San Jose, CA, USA) MS:MS_COMMENTS was operated in negative ion mode using electrospray ionization, scanning in MS:MS_COMMENTS Full MS mode (1μscan) from 65 to 975 m/z at 70,000 resolution, with 4 kV spray MS:MS_COMMENTS voltage, 45 sheath gas, 15 auxiliary gas. MS analysis and data elaboration were MS:MS_COMMENTS performed as described74,75. Calibration was performed prior to analysis using MS:MS_COMMENTS the PierceTM Negative Ion Calibration Solution (Thermo Fisher Scientific). #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS relative abundance MS_METABOLITE_DATA_START Samples nHTP_5neg_D21_1-1-9BN7 nHTP_5neg_D21_1-2-3MZX nHTP_5neg_D21_1-3-4UDC nHTP_5neg_D21_1-4-8UHC nHTP_5neg_D21_1-7-6CNN nHTP_5neg_D21_1-9-5BBH nHTP_5neg_D21_1-10-3TML nHTP_5neg_D21_1-11-3UU4 nHTP_5neg_D21_1-13-2AYD nHTP_5neg_D21_1-15-0RED nHTP_5neg_D21_1-47-2AMQ nHTP_5neg_D21_1-51-2MT7 nHTP_5neg_D21_1-52-6YZK nHTP_5neg_D21_1-55-5CHY nHTP_5neg_D21_1-60-0YGG nHTP_5neg_D21_1-65-7VN0 nHTP_5neg_D21_1-67-6MX8 nHTP_5neg_D21_1-69-7PTF nHTP_5neg_D21_1-70-6PY4 nHTP_5neg_D21_1-71-6RUQ nHTP_5neg_D21_1-72-4PGJ nHTP_5neg_D21_1-73-1BX5 nHTP_5neg_D21_1-74-7KCK nHTP_5neg_D21_1-76-3XMZ nHTP_5neg_D21_1-77-9AYB nHTP_5neg_D21_1-78-6ULA nHTP_5neg_D21_1-79-4UE4 nHTP_5neg_D21_1-83-2BDX nHTP_5neg_D21_1-84-4UWU nHTP_5neg_D21_1-85-0KM5 nHTP_5neg_D21_1-86-2RHE nHTP_5neg_D21_1-87-8AF8 nHTP_5neg_D21_1-88-0HF9 nHTP_5neg_D21_1-89-7GXD nHTP_5neg_D21_1-93-1NRT nHTP_5neg_D21_1-94-1UJ7 nHTP_5neg_D21_1-95-8GZF nHTP_5neg_D21_2-1-2GGN nHTP_5neg_D21_2-2-5NL0 nHTP_5neg_D21_2-3-5KPV nHTP_5neg_D21_2-6-8XWP nHTP_5neg_D21_2-7-9JX3 nHTP_5neg_D21_2-8-3XHT nHTP_5neg_D21_2-9-8HZ9 nHTP_5neg_D21_2-10-2JAL nHTP_5neg_D21_2-11-4ZCA nHTP_5neg_D21_2-12-6LKL nHTP_5neg_D21_2-13-0CYL nHTP_5neg_D21_2-16-5MH0 nHTP_5neg_D21_2-18-0GGN nHTP_5neg_D21_2-19-4VEE nHTP_5neg_D21_2-20-2YMY nHTP_5neg_D21_1-3CMM nHTP_5neg_D21_3-8FHC nHTP_5neg_T21_1-5-1GY7 nHTP_5neg_T21_1-6-0EE7 nHTP_5neg_T21_1-8-4PMR nHTP_5neg_T21_1-12-4LD9 nHTP_5neg_T21_1-14-4VXW nHTP_5neg_T21_1-16-7KNQ nHTP_5neg_T21_1-17-7EHX nHTP_5neg_T21_1-18-5CHL nHTP_5neg_T21_1-19-5ZWX nHTP_5neg_T21_1-20-5FY5 nHTP_5neg_T21_1-21-6TLT nHTP_5neg_T21_1-22-6DP4 nHTP_5neg_T21_1-23-0YAH nHTP_5neg_T21_1-24-4GUY nHTP_5neg_T21_1-25-2XUP nHTP_5neg_T21_1-26-5XRL nHTP_5neg_T21_1-27-6ZW0 nHTP_5neg_T21_1-28-5RRG nHTP_5neg_T21_1-29-5RGW nHTP_5neg_T21_1-30-1FZY nHTP_5neg_T21_1-31-3JKP nHTP_5neg_T21_1-32-3WYK nHTP_5neg_T21_1-33-1NZ1 nHTP_5neg_T21_1-34-0VWZ nHTP_5neg_T21_1-35-6EWH nHTP_5neg_T21_1-36-9CVU nHTP_5neg_T21_1-37-5ZL6 nHTP_5neg_T21_1-38-3LZ7 nHTP_5neg_T21_1-39-1CLB nHTP_5neg_T21_1-40-0MZ9 nHTP_5neg_T21_1-41-0VFZ nHTP_5neg_T21_1-42-1MWV nHTP_5neg_T21_1-43-2KFA nHTP_5neg_T21_1-44-1HKK nHTP_5neg_T21_1-45-7LKJ nHTP_5neg_T21_1-46-4BBH nHTP_5neg_T21_1-48-2MMJ nHTP_5neg_T21_1-49-0PFV nHTP_5neg_T21_1-50-2CD7 nHTP_5neg_T21_1-53-3MXT nHTP_5neg_T21_1-54-2AVT nHTP_5neg_T21_1-56-6GTA nHTP_5neg_T21_1-57-4GE0 nHTP_5neg_T21_1-58-6EX8 nHTP_5neg_T21_1-59-1PPQ nHTP_5neg_T21_1-61-8PP5 nHTP_5neg_T21_1-62-8NJ3 nHTP_5neg_T21_1-63-0UYM nHTP_5neg_T21_1-64-0XRV nHTP_5neg_T21_1-66-5TRE nHTP_5neg_T21_1-68-4UEC nHTP_5neg_T21_1-75-6NMG nHTP_5neg_T21_1-80-3RCZ nHTP_5neg_T21_1-81-5YNB nHTP_5neg_T21_1-82-3HTP nHTP_5neg_T21_1-90-5JX6 nHTP_5neg_T21_1-91-6CEC nHTP_5neg_T21_1-92-4GDZ nHTP_5neg_T21_1-96-3KGT nHTP_5neg_T21_2-4-4AHX nHTP_5neg_T21_2-5-9RZH nHTP_5neg_T21_2-14-2NH4 nHTP_5neg_T21_2-15-0FPN nHTP_5neg_T21_2-17-5TJT nHTP_5neg_T21_2-21-5EY4 nHTP_5neg_T21_2-22-1XL6 nHTP_5neg_T21_2-23-9AAT nHTP_5neg_T21_2-24-0NL4 nHTP_5neg_T21_2-25-0NB8 nHTP_5neg_T21_2-26-4ZRU nHTP_5neg_T21_2-27-7LEW nHTP_5neg_T21_2-28-7WZ3 nHTP_5neg_T21_2-29-5PPX nHTP_5neg_T21_2-8AUL nHTP_5neg_T21_4-3XNJ Factors Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:D21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Cohort:T21 Allantoin 276217.90 72545.72 282461.90 264923.60 330109.60 255339.50 343052.10 235635.90 126882.30 239178.20 215838.30 122977.40 155936.30 115022.60 211582.30 89675.16 55814.99 166458.60 116275.00 175090.00 146077.60 130120.10 208224.50 77451.85 205282.60 126667.50 105398.40 321212.20 116924.80 159945.40 124814.70 177676.80 282708.60 171723.30 120190.70 185448.40 161806.50 668648.10 289419.30 359326.00 175080.80 114016.90 213916.50 214552.70 228353.60 249991.00 267440.50 282303.80 71023.49 159718.50 179465.80 159403.00 117250.90 256976.50 481552.60 156977.00 103695.10 215003.00 218296.30 140220.90 161587.00 344696.70 172288.10 105317.00 347015.20 90135.21 217890.60 553074.60 109025.60 230692.90 232116.40 286817.10 75507.88 337408.00 237444.90 78223.95 346264.30 297634.20 198389.00 183602.10 88701.21 63709.53 85840.82 164274.50 257988.90 137352.50 224290.80 173302.00 37091.33 143705.50 100526.50 109674.60 157469.20 106058.80 99550.38 108128.90 193760.30 124226.90 373041.20 46319.64 212069.10 249358.90 467749.50 70943.78 79926.29 121524.80 131177.70 104384.20 170816.80 438405.10 307026.30 164222.40 158296.80 144393.40 182790.80 34380.46 73482.52 31352.64 210715.40 185437.90 161749.20 117741.70 158218.00 182650.50 168989.20 260012.70 189455.40 122212.60 54485.86 Urate 52019690.00 40794700.00 44045070.00 62977610.00 53109180.00 60507340.00 69561860.00 87655730.00 65534180.00 45360480.00 88808900.00 70318670.00 75672900.00 71127770.00 76566280.00 66080550.00 63190880.00 72249060.00 82866710.00 60640130.00 85361100.00 74319910.00 97609210.00 102280900.00 93053340.00 48212910.00 60936130.00 88562180.00 65678610.00 82088540.00 112656500.00 73868810.00 77285850.00 55640300.00 99640260.00 67908700.00 98335260.00 72736630.00 72466840.00 59188500.00 94349400.00 84805350.00 81177380.00 74109460.00 63451680.00 62311680.00 90070720.00 71637440.00 44015280.00 82750150.00 84976940.00 48443310.00 112577800.00 109661600.00 81822320.00 75802040.00 68568900.00 129501400.00 62661250.00 57387140.00 110931900.00 88579350.00 93324180.00 92442860.00 84803530.00 78058270.00 104132900.00 49198710.00 85932350.00 141863900.00 78599010.00 75602410.00 118673100.00 67074850.00 70773500.00 149423400.00 66789640.00 94441920.00 112109700.00 96514890.00 94201300.00 108376600.00 87250890.00 88286790.00 94019200.00 98096710.00 137890800.00 104545700.00 63072850.00 141981600.00 83629460.00 97480900.00 84527060.00 68786230.00 78846630.00 80835820.00 137114900.00 45591570.00 130248400.00 110174100.00 76334370.00 119445900.00 91513460.00 96886530.00 55127990.00 87082020.00 57263620.00 67604660.00 60585290.00 110803900.00 78538540.00 78004150.00 100121900.00 50624280.00 99035000.00 43369930.00 67507010.00 110336700.00 68164460.00 92834110.00 96253370.00 78843140.00 90146460.00 111603700.00 72902500.00 75258650.00 94694840.00 55301450.00 45455920.00 3',5'-Cyclic IMP 73612450.00 69932030.00 59920740.00 72904760.00 57986980.00 82583460.00 58834370.00 80540140.00 72299560.00 65114640.00 69303990.00 76403850.00 76737120.00 67997060.00 61270160.00 78338500.00 65534930.00 70946500.00 78907620.00 76133580.00 72761640.00 65611280.00 60672590.00 57269470.00 66041280.00 73775160.00 51687220.00 67258980.00 80891290.00 68499930.00 73244530.00 81294630.00 73759460.00 68297860.00 87758710.00 61218620.00 105591900.00 72108440.00 55692690.00 62295950.00 65828530.00 54572960.00 70095080.00 69778850.00 93023300.00 57661760.00 63570110.00 89589990.00 65381740.00 82521050.00 80826050.00 64840400.00 41319150.00 65893080.00 72234620.00 67824070.00 79954010.00 51995550.00 51304400.00 65706190.00 62193620.00 73735580.00 78718730.00 64116610.00 74484470.00 70282050.00 81907560.00 78168200.00 64270160.00 88080350.00 61539440.00 70468460.00 74435500.00 66379620.00 56590620.00 83851350.00 61145130.00 90911960.00 52222680.00 83323200.00 95997350.00 66975450.00 60898260.00 69099380.00 73313370.00 81268830.00 63243150.00 52047060.00 61414960.00 84796960.00 59328050.00 69379910.00 73732220.00 56219680.00 58915340.00 74930760.00 46855540.00 57529600.00 83578300.00 50258100.00 51756060.00 57316330.00 60697060.00 63888100.00 61737130.00 72161670.00 65549250.00 80272620.00 76983790.00 57691120.00 44888030.00 60679680.00 66622460.00 47433060.00 82290850.00 71813500.00 52351370.00 63721420.00 63118810.00 54025050.00 76538210.00 80243020.00 71777290.00 69615260.00 71839560.00 72027220.00 70685690.00 65446890.00 61170330.00 Phosphate 33931720.00 37952260.00 32391650.00 24990770.00 26045970.00 26819420.00 29784080.00 25007610.00 22664950.00 25371130.00 38903530.00 25087170.00 21231850.00 33540570.00 29799010.00 22488340.00 23510590.00 17798040.00 20787560.00 21784790.00 23715010.00 34985540.00 29375250.00 30061300.00 31617570.00 38248900.00 24552550.00 25591500.00 25214810.00 22816600.00 34390460.00 24465920.00 30068840.00 26523230.00 22665500.00 20929120.00 26976080.00 44821120.00 24923810.00 30860000.00 32419030.00 28887350.00 23313470.00 25096610.00 19905870.00 27369880.00 24890250.00 32491690.00 21683860.00 31595540.00 25304650.00 35167300.00 25575560.00 29495290.00 31717960.00 34925530.00 31429060.00 31527800.00 24359860.00 34118680.00 41226170.00 26428500.00 32709090.00 35826860.00 35516290.00 32860390.00 24518090.00 35431890.00 37273860.00 37032060.00 22575170.00 26928640.00 35160860.00 29933790.00 29496890.00 27938610.00 38504560.00 28482060.00 28738630.00 38194740.00 32429700.00 22010750.00 39992940.00 28330470.00 30479800.00 28747490.00 31299020.00 25641430.00 31208490.00 27835240.00 28034220.00 42624720.00 26611980.00 42096860.00 45165870.00 27903510.00 29610660.00 21356110.00 39062750.00 26104590.00 33671870.00 50454350.00 23668580.00 31348820.00 27300450.00 41239170.00 37577280.00 24803470.00 22535940.00 26365930.00 26896740.00 26874700.00 48406540.00 43699720.00 25392640.00 33725420.00 25808500.00 30594220.00 30498840.00 38346830.00 34810830.00 34557010.00 32236420.00 46474560.00 33965440.00 29488050.00 36774160.00 34329460.00 31160130.00 Diphosphate 459306.20 437548.50 542452.80 237290.90 411200.70 236174.20 426362.80 239363.90 233831.80 287096.90 538000.70 236087.50 208795.80 384436.00 463890.80 202277.10 277322.70 159834.60 158268.80 175906.70 234186.10 284840.40 263771.50 415714.40 354647.50 443523.60 262020.40 247875.20 216020.40 224501.70 366375.30 152897.40 304835.60 332946.40 244439.80 225014.20 366237.20 892580.20 400749.70 427724.70 267693.80 389232.80 324602.20 206374.00 202560.30 334922.70 268489.30 347667.20 181510.20 358803.50 214385.60 563845.50 244081.80 292876.70 409746.40 342557.30 337327.50 467745.80 505784.20 501755.10 650675.60 295125.50 392141.50 471024.60 479207.20 439184.60 198937.00 343042.80 493415.50 503901.60 247454.40 302509.00 562180.10 353754.80 426820.60 327290.00 476560.90 380728.00 262489.40 514541.90 326618.70 155734.10 614356.80 335181.40 425164.20 325925.20 358377.00 263046.80 413443.20 317177.90 289285.40 640904.20 294914.60 826434.60 666883.80 402254.50 339260.00 209160.60 542404.30 393707.20 459443.50 918161.50 211406.80 411539.80 379753.90 588085.30 521521.90 210943.10 191387.50 281711.00 305447.30 322572.40 751467.30 758445.90 262436.80 770367.20 283770.70 500774.60 328637.10 670025.80 419926.80 470564.50 320673.80 743224.90 409600.50 427361.80 507382.20 476123.80 419730.20 D-Glucose 46992640.00 51506640.00 55945210.00 38943470.00 61420320.00 50322320.00 31972410.00 56588950.00 57026710.00 54036210.00 41434410.00 42720780.00 62511090.00 53533800.00 63564190.00 51991700.00 52010530.00 62819650.00 28887610.00 68098850.00 71424630.00 52331760.00 74467080.00 51680080.00 44932930.00 50237230.00 50560350.00 64776260.00 34094840.00 45588080.00 47970600.00 51390270.00 75881950.00 65569650.00 56067100.00 57097500.00 49694440.00 59906600.00 89264470.00 51806090.00 61592440.00 41484600.00 45940020.00 103024500.00 64273530.00 45677300.00 64087520.00 65013950.00 46896590.00 67822650.00 52388060.00 54389700.00 70018940.00 52294400.00 50203470.00 52306910.00 59254360.00 65166540.00 61540770.00 49607710.00 48216990.00 33682990.00 35645240.00 46567440.00 67431840.00 59955830.00 56375280.00 59837070.00 43706470.00 73578710.00 50430710.00 61149240.00 51174260.00 68856010.00 67466690.00 65996360.00 42358000.00 46401880.00 36175020.00 59949150.00 26559460.00 57164080.00 59764700.00 62881290.00 49011520.00 41503270.00 49299770.00 39263560.00 47822890.00 60812010.00 47357930.00 29081620.00 48635240.00 59472900.00 50686880.00 64222190.00 57207120.00 68300650.00 46073420.00 75500550.00 58502630.00 46885070.00 42002720.00 53360600.00 49607160.00 50589460.00 37382820.00 58608490.00 53378850.00 40643700.00 46652290.00 42738750.00 47894270.00 48865580.00 61848560.00 48552360.00 52119180.00 48594990.00 49341090.00 53609940.00 47852940.00 56510370.00 43713860.00 37380030.00 44615140.00 52837780.00 57407230.00 37751240.00 48548940.00 D-Glyceraldehyde 3-phosphate 57993970.00 63255160.00 54196240.00 70278020.00 51532300.00 73764980.00 60497130.00 64808520.00 48609810.00 55986370.00 73013000.00 63493280.00 74656200.00 46358160.00 64075170.00 58300640.00 64526060.00 81616890.00 67893030.00 99150950.00 55185650.00 77013460.00 72795390.00 62581520.00 58004440.00 72604870.00 60179470.00 55994160.00 65658200.00 56637040.00 110850600.00 66241400.00 60993370.00 63084910.00 48542400.00 56068640.00 60245140.00 68326870.00 66077940.00 41197520.00 79951270.00 48029460.00 56230540.00 58213440.00 54429840.00 53705410.00 59033270.00 95177990.00 61876490.00 66021160.00 65902570.00 61216030.00 78212820.00 52397010.00 72915550.00 81309010.00 69474140.00 62889360.00 62784940.00 65357490.00 58906300.00 69558620.00 42415510.00 63927940.00 66595500.00 66813570.00 67513860.00 90886080.00 54738680.00 87101980.00 61455160.00 59685520.00 59049880.00 66373100.00 74052040.00 56902620.00 65499200.00 58395480.00 92808300.00 85968490.00 61517900.00 90946460.00 64624270.00 61009380.00 67263900.00 70027110.00 66462160.00 84394850.00 65134990.00 64483760.00 84392570.00 73028870.00 79849370.00 54349230.00 77261730.00 80561260.00 38942750.00 73718440.00 61569890.00 67497980.00 63218140.00 67504140.00 57843860.00 63417600.00 60191880.00 64635990.00 75591930.00 62389010.00 82202010.00 113639500.00 71875530.00 56147720.00 63909260.00 91745050.00 60826480.00 62080700.00 65243680.00 57025680.00 63187280.00 44498920.00 69209180.00 74529430.00 52516100.00 72662400.00 87947450.00 65601870.00 68807720.00 53894840.00 70334150.00 Pyruvate 8149678.00 8897363.00 6691290.00 10023550.00 7053110.00 8338968.00 8520239.00 9199783.00 10119330.00 7485978.00 17723920.00 20695380.00 14032660.00 12161640.00 9657855.00 10331710.00 11772460.00 16064570.00 13775200.00 10019860.00 12523210.00 11719840.00 8058112.00 11964610.00 10936850.00 13207700.00 9991568.00 10754120.00 14353430.00 13972810.00 19139830.00 10391760.00 12879670.00 10489250.00 17449290.00 8768459.00 13616970.00 10081430.00 15785010.00 12755310.00 12252900.00 9874357.00 13935930.00 13310490.00 5758420.00 9331507.00 6691968.00 11903750.00 9860965.00 9706665.00 11485560.00 6615044.00 15543400.00 16871440.00 7616412.00 11099340.00 8166260.00 10065050.00 6048566.00 8655750.00 15304440.00 7134456.00 12578900.00 9354967.00 9689656.00 9153071.00 6805726.00 8610917.00 10516020.00 10386510.00 9746963.00 9690067.00 19034010.00 9125971.00 10370030.00 11753260.00 9122771.00 20192430.00 21988230.00 17110340.00 14367040.00 14757650.00 11769950.00 10304050.00 9581130.00 16355120.00 20852670.00 12041060.00 11992520.00 17531950.00 15547870.00 15319930.00 11051060.00 11896920.00 14468790.00 9418973.00 11157100.00 15760840.00 11359540.00 14772930.00 8447453.00 16136150.00 10188970.00 18844830.00 10128560.00 11549040.00 10152530.00 11451960.00 10608070.00 9576972.00 8237214.00 7634904.00 9054743.00 13471950.00 8623465.00 14636790.00 14053000.00 13892920.00 9891787.00 8902721.00 13662180.00 7420722.00 8389556.00 33115410.00 17365620.00 13953800.00 9568964.00 16793630.00 12925720.00 Lactate 65202130.00 56155460.00 46113230.00 89082060.00 57041890.00 82540750.00 57086720.00 69285940.00 59077430.00 64745960.00 133849500.00 134254100.00 77073300.00 102779500.00 65098510.00 91347300.00 81887520.00 85925460.00 107026400.00 75405620.00 121124500.00 82167100.00 61663730.00 87577700.00 140912800.00 135958400.00 84613130.00 92394660.00 115666500.00 175407200.00 113597200.00 93201140.00 105953900.00 106627400.00 141659000.00 64848240.00 118466700.00 90750270.00 108611600.00 87223590.00 119021600.00 65444550.00 113159400.00 95107360.00 71730750.00 112173300.00 59451300.00 128591400.00 68666620.00 123454200.00 77530860.00 54661240.00 179293900.00 108250900.00 47820600.00 81574530.00 57535940.00 92516840.00 45585270.00 54292900.00 114016300.00 41679280.00 82954400.00 58062640.00 81401640.00 52689070.00 51436890.00 62241560.00 79100870.00 73945770.00 56954550.00 96631270.00 124637200.00 90192220.00 152926300.00 76817960.00 81971010.00 152116000.00 185767800.00 175193200.00 150910600.00 145528400.00 79506140.00 80157320.00 118812100.00 104420400.00 191132800.00 109207300.00 77064900.00 178095100.00 140478600.00 140277300.00 80832590.00 126576300.00 93911170.00 73185270.00 93712380.00 129197400.00 80083190.00 101373200.00 56517490.00 127091000.00 77069160.00 124903600.00 78844650.00 83726950.00 99468990.00 80787010.00 70889060.00 132315000.00 70782340.00 62262000.00 58327740.00 121760800.00 66929980.00 173312400.00 157987200.00 103947800.00 75453890.00 66979830.00 139135200.00 40384570.00 84084380.00 278609700.00 238179000.00 63742600.00 70376300.00 127704200.00 109433900.00 Mannitol 1396704.00 1399223.00 826050.20 765615.90 676710.50 1984412.00 966893.00 857228.00 1945949.00 889290.80 743244.60 917214.50 726704.30 942442.80 1361283.00 467632.10 742045.60 1007214.00 539514.30 552618.30 853812.60 525229.70 499904.90 938920.20 743096.80 773075.20 1233938.00 1054560.00 2118328.00 840948.30 798427.50 1851995.00 744289.70 497967.40 970993.30 494950.70 596998.70 1158992.00 468823.00 653761.20 689610.70 413516.80 767497.60 826015.90 1034073.00 1729924.00 769306.20 676107.40 507946.00 640828.40 438886.90 604295.30 700114.80 927629.30 14347750.00 1427200.00 363965.20 1472101.00 52455280.00 770477.40 723540.70 769668.80 857361.80 2140160.00 1467245.00 681468.00 1009871.00 996779.20 558937.80 894056.90 1073497.00 803518.80 1424173.00 789457.30 693266.60 439083.80 752633.20 1250008.00 2090413.00 747296.80 829994.20 1157151.00 864471.20 759637.30 836862.70 506507.30 922819.80 922877.80 560982.10 657955.20 1262646.00 1243060.00 1107999.00 1050106.00 743429.80 1652055.00 890627.00 1116985.00 1027903.00 1177108.00 668842.80 2398501.00 775499.10 337225.20 661137.20 737706.60 697415.50 538572.10 803418.90 4782268.00 544973.20 1218447.00 746506.50 914209.30 685239.70 454710.60 1727013.00 410724.50 488799.60 508602.00 630320.80 663800.30 676351.10 636642.40 802735.80 717576.80 4208360.00 2991881.00 574677.80 D-Ribose 3334993.00 1390567.00 4078251.00 1233967.00 6362094.00 1301931.00 2243574.00 3253779.00 2505044.00 1457848.00 1134845.00 1799868.00 2389141.00 1656454.00 2844445.00 1292378.00 1345232.00 1365731.00 2406964.00 4234936.00 1538453.00 1192565.00 1823915.00 1155200.00 1505152.00 1244781.00 3277035.00 1594029.00 3958246.00 1870291.00 1173609.00 1601949.00 1668691.00 1667363.00 2140803.00 1370310.00 5976412.00 1339176.00 2084677.00 1523087.00 1399692.00 2112338.00 7066282.00 2350001.00 1333492.00 866012.30 1494640.00 4939578.00 3314075.00 1493493.00 1466292.00 2183101.00 1571920.00 1790956.00 1805361.00 1722650.00 1285551.00 1392439.00 2572299.00 1596550.00 1613769.00 2173193.00 2128698.00 1115679.00 1860511.00 1460333.00 1476448.00 1897466.00 1609466.00 1604693.00 2017152.00 2432767.00 5352832.00 1840640.00 2815885.00 1853206.00 2483160.00 2607393.00 5442796.00 2558399.00 1870049.00 3761286.00 1535550.00 1413066.00 1091838.00 2261651.00 1974064.00 2732623.00 3040853.00 2383188.00 2615890.00 5873270.00 2317001.00 3013889.00 2768979.00 2767784.00 3359181.00 1832345.00 3039806.00 1826999.00 4343689.00 3706178.00 1409559.00 1205140.00 4019867.00 2349985.00 1119806.00 1565178.00 3433544.00 14350350.00 1168688.00 1743115.00 2890510.00 2717338.00 1582431.00 1354686.00 1548054.00 1334808.00 1714534.00 1417449.00 1055109.00 1336432.00 2364009.00 2050402.00 3097464.00 4780928.00 1683990.00 2644333.00 3005289.00 D-Rhamnose 2299551.00 894448.40 2198810.00 2266167.00 1595066.00 2952223.00 4448788.00 1441936.00 1302468.00 2706143.00 4087555.00 2304564.00 2541160.00 1091214.00 1715379.00 1894721.00 1591738.00 2268678.00 2727766.00 974304.30 1922252.00 2826454.00 2993530.00 2701569.00 3170272.00 1363043.00 1493187.00 3545671.00 2433770.00 2798643.00 3146119.00 3029842.00 1416256.00 1865632.00 3604434.00 2585804.00 2529937.00 5191356.00 3595691.00 2862943.00 1891014.00 2402200.00 2597556.00 2319437.00 3077693.00 4703550.00 2838358.00 901342.40 2538683.00 2295556.00 2135864.00 2962394.00 4379506.00 2879060.00 2212372.00 2404142.00 2334954.00 4310075.00 2872293.00 2780988.00 4111376.00 4425091.00 4189840.00 1876801.00 5806382.00 3079375.00 2923600.00 3707200.00 1724312.00 4187498.00 2626324.00 2583824.00 3597512.00 3532721.00 2902140.00 3347801.00 3609398.00 4504642.00 2607900.00 1639475.00 2786999.00 2454671.00 6027484.00 2894593.00 3407561.00 2054316.00 4059923.00 1380793.00 2372606.00 2764948.00 2953339.00 1945384.00 1889931.00 1410228.00 2470994.00 3245429.00 4559338.00 2428834.00 3457734.00 2089544.00 3851037.00 3716290.00 5180358.00 1213463.00 1575938.00 2746795.00 1036584.00 4225068.00 2622517.00 1314836.00 3803401.00 3283855.00 1991196.00 2463810.00 3383355.00 7286480.00 2065382.00 3385064.00 1182120.00 1783418.00 4717356.00 968110.00 3958035.00 3457266.00 1876390.00 2524080.00 3891009.00 2985904.00 1817326.00 D-Arabitol 281277.30 368444.30 549994.50 297073.50 400360.70 227764.40 508987.60 357012.60 1128958.00 395209.80 394872.40 457226.70 465764.20 618658.30 572182.00 1143100.00 422021.80 432633.30 350511.10 472978.00 365241.50 324260.70 291200.00 554818.20 423466.20 626779.80 456960.60 549173.10 268012.00 548211.10 743190.90 507120.60 419696.50 520157.70 471276.40 400280.40 898548.30 538442.60 451624.40 333714.60 419970.90 360382.40 551172.30 471790.60 442695.50 479478.20 486520.60 736562.80 613836.60 566841.40 589448.80 519006.80 353294.80 498541.30 899631.30 456032.50 397582.10 389936.30 481271.60 386618.90 410386.50 502476.90 432139.60 545092.20 890025.20 645829.80 555095.80 421506.00 406423.20 451770.60 503664.90 470780.20 786257.30 653831.70 559139.70 753263.70 472613.20 557498.80 520021.00 507070.40 330505.30 345330.40 353680.90 384985.70 457905.20 406806.60 368134.40 533507.30 651825.60 326155.80 562260.10 711588.50 519861.80 862276.80 522850.00 666426.70 627476.60 751940.80 409183.60 1283360.00 767352.20 678573.80 564962.50 597890.80 682336.90 541303.30 430734.90 481694.50 658675.60 1928180.00 443230.40 759182.30 450310.60 749921.20 647989.50 881367.20 752892.20 624483.20 612363.40 337776.50 357973.10 399401.60 543073.30 540681.90 469102.80 630248.80 558366.70 433270.80 388316.70 Citrate 47303130.00 36392550.00 30070040.00 29416540.00 20798910.00 49767050.00 42083590.00 38138080.00 39465520.00 28540170.00 42528170.00 63316600.00 41526500.00 44135850.00 28340280.00 48555330.00 60851600.00 38759420.00 35248630.00 37949180.00 42361320.00 53143650.00 38783180.00 42896480.00 39177750.00 68877450.00 41343550.00 35729440.00 32603950.00 39068720.00 53792360.00 36221940.00 40006240.00 50417010.00 52470600.00 35995810.00 28968530.00 35644180.00 37916070.00 30981470.00 64144850.00 31635640.00 49206410.00 47941140.00 38057740.00 47491720.00 37814080.00 36690320.00 46261280.00 54328400.00 34017820.00 60835460.00 59015990.00 51409180.00 38253840.00 38917550.00 44928460.00 37486020.00 37742750.00 40443880.00 51606080.00 49496090.00 45208590.00 53202010.00 35399100.00 42766500.00 30194750.00 46314340.00 37231840.00 36273880.00 32176360.00 32905300.00 75479770.00 26469640.00 44494900.00 37912670.00 52195230.00 36242420.00 58311700.00 29600820.00 42355980.00 43055550.00 29150000.00 44382830.00 57255670.00 45076270.00 45624080.00 50997700.00 49794140.00 42163850.00 41431440.00 52484250.00 45933340.00 36022360.00 37566700.00 56361020.00 39678020.00 42997900.00 46412650.00 52053450.00 42135200.00 49634590.00 44780240.00 50888660.00 39370700.00 56307610.00 35348130.00 49765280.00 38146090.00 34466460.00 33830910.00 33634340.00 32721060.00 54298820.00 49178580.00 78745480.00 64710450.00 44694030.00 38076200.00 44874590.00 40638620.00 44638470.00 40969980.00 48847620.00 50757760.00 36279340.00 63985600.00 44882130.00 54006690.00 2-Oxoglutarate 1252991.00 1296658.00 1056474.00 959718.00 1998817.00 1291542.00 1132278.00 1173212.00 1041618.00 1167521.00 1050136.00 1444686.00 1760919.00 1591922.00 1731634.00 1205013.00 1110148.00 1168984.00 1102698.00 1063013.00 2414795.00 1218924.00 1871532.00 1313057.00 1670240.00 1629690.00 1713834.00 4705098.00 1339158.00 1548382.00 1498298.00 1227658.00 1414420.00 2161665.00 926225.00 1000771.00 1287628.00 877366.20 1258604.00 1441076.00 1025003.00 1343617.00 1439783.00 1738562.00 937353.60 1283304.00 914137.60 1124848.00 1256343.00 2021856.00 1367472.00 1384516.00 2156363.00 1631435.00 1072296.00 1368229.00 1017329.00 2764437.00 732244.50 820432.40 1209713.00 1058522.00 1107594.00 1485773.00 1213124.00 1802143.00 1095274.00 1053931.00 1169296.00 1348049.00 1289958.00 2591994.00 1605580.00 1086261.00 1028196.00 2148636.00 1106659.00 1235512.00 2067673.00 2046422.00 1477794.00 1568598.00 1239452.00 1226322.00 1814230.00 1457202.00 1704424.00 1775554.00 1325012.00 1893097.00 1844696.00 1693326.00 1620899.00 2053912.00 3671759.00 1587610.00 3109519.00 2883205.00 1268913.00 1426353.00 1482970.00 2311794.00 1856323.00 2039764.00 2043097.00 1600814.00 1292319.00 1250096.00 1330116.00 1732802.00 1254858.00 1312838.00 1030670.00 1569854.00 1422284.00 2012562.00 1626463.00 1287179.00 1271315.00 1442837.00 1744641.00 1117120.00 1422200.00 2349542.00 1098532.00 1035946.00 1329430.00 1173044.00 1219596.00 2-Oxoglutaramate 370269.70 474637.70 452679.30 523155.20 345293.90 302226.50 315494.00 526405.20 437590.80 493836.80 429084.90 420148.80 601044.00 541086.40 512649.20 282021.00 531930.90 551131.50 494230.40 410806.50 505769.40 463985.10 522479.00 427957.70 479361.70 374241.20 369106.20 530496.20 445866.80 536231.40 454353.30 404582.00 500119.70 414782.90 469490.00 833579.70 616448.20 449909.80 360516.20 437476.30 430665.00 401779.40 494907.20 354001.20 255913.40 536715.30 423989.00 708085.20 386157.20 492580.60 501543.20 346155.10 669433.40 403448.10 412175.10 422216.80 487219.00 445913.30 574875.40 421477.70 476491.90 515731.50 903871.90 370437.50 415421.70 265404.60 318217.80 635829.30 495349.20 621882.70 463134.70 566254.60 505486.50 444717.80 585563.90 262717.20 558121.10 485574.80 640610.90 484585.70 737593.70 389693.30 580282.60 596920.10 486575.40 707469.70 681392.90 908258.20 375957.20 538623.90 413458.70 670906.10 649843.10 604538.00 844411.70 751280.70 661044.90 396614.00 526315.20 429387.80 515112.00 756163.70 489893.90 446374.40 405611.10 738348.50 442229.70 575393.80 604877.80 2768474.00 426627.80 506626.00 531748.30 548960.80 390091.50 654898.60 692359.20 561901.90 532863.30 470033.00 480593.10 468874.70 391505.50 532789.40 431094.80 492628.40 608400.90 534041.40 448904.60 Succinate 1080436.00 1188493.00 1654454.00 1186564.00 816889.30 666786.30 911803.70 1094779.00 946034.70 848530.40 745738.20 985625.70 958174.30 1371307.00 947657.10 1060691.00 1134035.00 1034156.00 870964.50 899199.70 1000601.00 1112485.00 941371.60 1116921.00 1109682.00 1435562.00 1228797.00 1030790.00 1099543.00 1205585.00 1231277.00 1263741.00 1215851.00 961763.30 1175932.00 823032.50 1325757.00 905800.30 904692.60 1197827.00 1280665.00 1072443.00 1266273.00 971160.80 968566.80 1187084.00 1089080.00 1236245.00 1209924.00 1354019.00 936498.30 1339773.00 1315170.00 1421967.00 1015671.00 913494.10 1036596.00 998347.20 1129293.00 1063502.00 1374015.00 1168319.00 997130.80 1239019.00 1354148.00 1007319.00 1141634.00 1130226.00 961312.20 1018006.00 1318457.00 1103415.00 1192315.00 1169866.00 1276896.00 1071225.00 1270482.00 1080300.00 1494032.00 1039060.00 1514457.00 857896.20 1135071.00 1022965.00 1545526.00 1080412.00 1359151.00 1022694.00 1388824.00 988648.40 902785.70 1067751.00 1506132.00 1069578.00 1633808.00 1783913.00 1155622.00 953551.20 877050.40 1225028.00 1073002.00 1334435.00 1124136.00 1429716.00 1219228.00 1376358.00 1038398.00 896024.40 951174.00 1169558.00 1235172.00 1350812.00 1555243.00 1766020.00 1609070.00 1448525.00 1952078.00 1288612.00 1111863.00 1333306.00 1340391.00 904676.10 1264597.00 1338357.00 1248489.00 1171285.00 846812.90 904743.90 821191.80 Malate 2701095.00 3184080.00 1736053.00 2193703.00 1368286.00 1710149.00 2195916.00 2182524.00 1798954.00 1355989.00 2211280.00 4041246.00 2154512.00 2745400.00 1845710.00 1900715.00 2811399.00 1840588.00 2300911.00 2198061.00 2349393.00 3363459.00 1977222.00 2047190.00 3042821.00 3247612.00 2657059.00 2561265.00 2851553.00 3196015.00 3372141.00 3206206.00 2531889.00 2179811.00 2362256.00 2330643.00 3252624.00 1928333.00 1344464.00 2751447.00 3278408.00 2019116.00 3389438.00 3077089.00 2141973.00 2386431.00 1577570.00 2004452.00 2149208.00 2867155.00 1865094.00 2681155.00 4902183.00 2556078.00 2340634.00 2180159.00 1969054.00 1586087.00 1450512.00 1767569.00 1941112.00 2306243.00 2017591.00 1993644.00 2568639.00 2659950.00 1989692.00 1873033.00 2375559.00 1788012.00 1983902.00 2667107.00 2830249.00 2642189.00 2728401.00 2054272.00 2778276.00 2647868.00 4192725.00 3651853.00 5782064.00 2816998.00 2027559.00 2101411.00 4188359.00 2332265.00 3622840.00 4336612.00 2881480.00 3182072.00 3210011.00 3009501.00 2369880.00 2349773.00 3873175.00 3891910.00 2263484.00 2564531.00 2911945.00 2622074.00 1912242.00 2812353.00 2835173.00 3345825.00 1758583.00 2536554.00 2091294.00 1938962.00 1778471.00 4942982.00 1649147.00 2423620.00 1956218.00 3748341.00 2961273.00 3591794.00 3455241.00 1986638.00 1987294.00 2628311.00 2442443.00 1730321.00 2814754.00 4741714.00 2870922.00 2276172.00 2608429.00 2541600.00 2781202.00 2-Hydroxyglutarate 2235888.00 3259818.00 2887836.00 2582653.00 1905731.00 1163758.00 2801899.00 2681111.00 2930065.00 2836861.00 3367820.00 3197377.00 1954227.00 2093618.00 1557881.00 3348608.00 1584522.00 1098627.00 575379.10 1106190.00 1413908.00 2070097.00 1515123.00 1270568.00 1351632.00 2235810.00 1332702.00 750863.20 1235812.00 1307997.00 1562211.00 1417677.00 1703495.00 2028646.00 2465623.00 1653299.00 2118716.00 2177707.00 1723177.00 1552404.00 1517541.00 2287128.00 2353441.00 1173269.00 2053209.00 740530.80 1141434.00 2941427.00 2426801.00 4030390.00 2283243.00 2426702.00 2790566.00 2074516.00 2366525.00 3355326.00 3112866.00 2070128.00 4252596.00 3165081.00 3155631.00 1776282.00 3659709.00 3686852.00 2239358.00 2855031.00 1990467.00 3623711.00 4856022.00 2640202.00 3253601.00 5263800.00 3632486.00 5983942.00 1404598.00 1876483.00 1339060.00 3331102.00 1921646.00 2356118.00 2948958.00 2056288.00 3045636.00 2733889.00 2553382.00 2366165.00 2103083.00 4240900.00 3497511.00 904517.90 4160081.00 3227481.00 3705859.00 3126785.00 1001850.00 2376211.00 1840639.00 2105472.00 1903871.00 1773375.00 2602169.00 2337567.00 1472777.00 2486823.00 3297839.00 2538660.00 1839270.00 2170298.00 2198365.00 1558496.00 2611163.00 3275623.00 3837323.00 5334048.00 1635944.00 4542320.00 2902622.00 4258470.00 3180907.00 3748956.00 2553907.00 2297197.00 2858048.00 944924.00 3260923.00 2136822.00 3224080.00 2811842.00 2823936.00 Dehydroascorbate 1735057.00 1866219.00 1248154.00 1552698.00 983417.00 2582878.00 1646519.00 2130981.00 2050212.00 1390518.00 1400953.00 2965335.00 2070791.00 2233401.00 1437212.00 1928046.00 2584737.00 1862320.00 1658991.00 2109969.00 2059196.00 2208986.00 1998360.00 1914207.00 1506875.00 2768660.00 2072837.00 1963262.00 1688061.00 2306227.00 2586840.00 1639097.00 1605616.00 1911937.00 2718127.00 1556880.00 1510808.00 1780440.00 1834200.00 1648822.00 2639018.00 1334822.00 2700298.00 2440831.00 1706554.00 2390380.00 1566005.00 2821375.00 2032930.00 2359898.00 1634250.00 2583363.00 3261801.00 2370449.00 2077498.00 1824840.00 2048382.00 1974580.00 1269055.00 1972639.00 1964285.00 2260138.00 2254594.00 1895439.00 1788639.00 1761288.00 1549062.00 2165294.00 1398296.00 2075012.00 1758412.00 1976061.00 3356568.00 1393714.00 2209102.00 2044091.00 3168164.00 1825716.00 3227209.00 1560059.00 2197435.00 2522576.00 1396778.00 2325740.00 3029636.00 2273426.00 2676314.00 3427263.00 2306817.00 2613622.00 1944612.00 2941437.00 1798686.00 1923889.00 1716116.00 2832715.00 2124374.00 2586688.00 2688242.00 2519195.00 1633894.00 2985428.00 2148064.00 2712671.00 1930131.00 2829156.00 1487703.00 2420306.00 1579032.00 2686044.00 1496944.00 1693205.00 1624426.00 2584645.00 2718062.00 4428262.00 4633812.00 1828731.00 1521264.00 1492746.00 1989908.00 1896406.00 2033602.00 3177573.00 2543593.00 2026584.00 3310963.00 1969099.00 2315319.00 gamma-L-Glutamyl-D-alanine 103919.80 112253.30 84715.75 324706.80 164336.10 216774.10 264623.60 234651.70 200412.50 143085.80 65759.76 195761.00 192651.30 146562.40 149205.00 103469.00 181800.10 194531.00 162887.90 219011.10 189471.70 218890.00 247085.70 162353.70 102897.90 157207.70 259967.40 161497.60 297987.70 301884.20 299500.60 317295.00 241608.70 219964.10 400369.10 202161.30 297309.80 237825.30 216725.50 272107.80 287284.30 249251.30 366152.50 247734.60 276906.00 307117.80 296509.10 264504.50 213085.20 207085.50 135982.40 208125.40 498435.00 329923.20 208146.70 243473.10 176427.70 161457.30 209827.60 181642.50 507476.30 227721.40 237865.00 265652.30 224114.50 189648.50 217825.50 218388.70 297994.70 287529.00 336919.30 342587.00 417576.60 295271.90 512557.70 246613.20 411435.60 144663.20 176518.50 187997.80 136801.10 183772.00 198457.10 93199.09 126222.20 137239.20 244962.80 148641.90 71491.07 237465.60 159535.00 185184.00 168240.60 215407.00 270265.80 195201.60 307672.10 270568.90 187746.70 280628.00 185746.90 244948.40 222493.60 200258.10 279847.50 217425.10 128255.60 144289.40 76300.52 173381.00 289894.40 350486.70 302901.90 345980.70 236220.70 266642.10 220725.90 194848.30 252963.90 150533.40 298777.50 221862.90 377654.80 169827.90 233421.50 129046.20 360027.30 109665.90 138973.20 (5-L-Glutamyl)-L-glutamine 542973.50 357706.50 333759.00 434125.60 168779.90 364695.30 302750.80 477000.80 259471.70 303667.50 462419.70 486695.50 228377.00 370768.60 291856.20 268422.80 336274.10 427175.00 245025.90 398323.20 427657.30 801432.30 386204.20 348918.30 336439.90 390384.30 206918.60 125166.80 401251.00 594941.20 494981.30 503548.50 404525.10 316962.80 419416.20 370355.70 333446.00 380848.10 212835.80 455092.70 575706.70 372130.20 500607.80 393157.50 357207.80 494817.90 523424.80 387639.60 278278.50 412338.90 367416.50 425607.80 546626.20 429545.00 328384.50 310878.80 396892.40 197164.50 296897.20 246794.80 606242.20 499016.30 443401.70 332804.60 413477.50 274157.40 227751.50 269396.50 304841.10 556970.90 298387.40 235901.00 467366.60 316720.20 467554.70 325158.70 643303.20 443834.70 512220.50 272422.30 612987.20 289103.80 564724.90 262391.90 803770.70 483963.50 736207.40 244861.00 440749.40 425857.20 301963.00 327733.70 437309.80 381277.50 274951.30 581409.60 162927.40 50321.76 474540.50 321735.30 196894.00 465329.10 631686.40 381435.20 279243.50 395713.70 246136.50 205038.20 202702.20 146289.70 497504.50 374104.00 407669.90 300205.90 471897.90 497998.30 542119.70 200519.50 259454.90 367968.30 371056.20 352402.50 420069.30 435089.40 936798.80 509458.40 545294.30 622812.30 496124.20 N-Acetylneuraminate 74752.97 122083.80 98190.84 42760.67 50944.00 135755.60 107269.70 101469.20 73606.04 73882.42 94032.06 125829.30 130428.90 107231.30 129652.40 140043.80 106208.60 89275.77 104278.10 96279.79 160935.80 134082.80 99018.16 154447.00 176791.10 183564.20 101270.50 93206.94 111475.70 94305.91 177398.80 122326.20 92526.21 129288.50 104195.00 61623.97 150430.20 109038.00 151689.80 91303.59 185835.50 163817.60 119262.20 122027.50 83384.77 61239.59 92486.43 167673.00 75899.72 153082.00 144059.30 164730.20 153478.80 201227.00 178458.00 115230.80 132918.50 177611.10 50929.75 97046.25 161721.00 121429.10 145388.20 109881.70 189528.10 85229.98 111795.30 118921.00 161847.20 161010.50 112456.20 141593.90 246122.40 110276.00 228431.10 95856.94 168676.50 110608.00 141624.80 166167.80 100556.80 208473.10 161606.10 108691.20 150628.90 154944.30 181098.70 125608.90 161344.70 161955.10 131937.20 155763.20 129885.10 164458.60 280251.60 270901.70 212931.00 151634.30 144386.70 180828.70 136577.60 225638.40 145429.70 95339.59 132727.10 144442.30 179553.40 178488.50 117452.00 712293.10 189641.20 97361.23 144786.00 264678.80 165439.20 499696.90 169824.00 122896.80 157702.10 147618.30 102582.00 89742.24 140339.30 106442.90 229790.40 158022.00 149936.90 148310.60 79079.30 4-Acetamidobutanoate 70607.87 146694.20 192379.50 89505.72 424133.40 168396.30 208511.50 302531.70 289324.60 395045.20 256464.90 176363.10 676808.20 150225.10 173927.70 226943.80 113612.80 292553.20 331295.00 128344.70 182154.90 137372.70 126766.00 193059.60 151466.30 124698.70 293376.20 190177.20 203340.90 173746.20 74727.09 181871.00 282159.30 289642.70 250503.10 115884.60 232141.80 219296.20 160643.70 172364.90 167358.10 226104.70 248305.30 228373.40 147664.90 148086.70 176967.60 354716.40 450833.30 137265.10 138315.20 234767.20 131737.90 188401.90 303523.50 123047.00 154764.40 171872.30 141711.80 1209890.00 168679.40 134390.50 254216.70 198464.90 213703.40 144225.30 147166.50 176741.40 220408.40 126669.00 258414.80 301292.70 258370.70 232231.70 215876.00 118299.50 209681.70 124721.70 216241.40 534822.20 179395.20 253853.40 118998.30 187785.90 91934.18 209512.10 259205.70 210469.40 234325.60 128504.40 192993.80 152316.60 215706.60 135949.90 177214.70 290251.30 173748.20 196017.80 172174.20 587044.40 217393.50 289364.70 298255.20 828310.00 174776.20 281127.20 261433.80 86726.95 201590.10 1044985.00 194693.90 470124.40 215168.40 173780.90 218297.80 245377.70 191138.60 230095.00 206125.80 159611.50 105925.80 132152.20 200507.70 404985.80 278616.20 199136.00 239176.00 269243.30 117562.20 trans-4-Hydroxy-L-proline 801018.20 793468.30 1001164.00 761861.80 692012.90 700195.90 882042.90 948326.80 746225.80 887807.50 772171.30 1083434.00 1175766.00 934770.50 1026793.00 882873.20 976713.50 841444.90 1419149.00 813032.10 1637299.00 731568.60 895832.80 1143286.00 1018232.00 794729.80 808272.80 694367.80 1036269.00 852279.30 1454704.00 1385917.00 1073676.00 780571.70 1173389.00 811845.00 972451.60 1739200.00 920578.20 1268364.00 923300.20 1518530.00 1516295.00 1187972.00 746930.80 1157841.00 987873.20 1060824.00 743055.20 1140910.00 1027029.00 862464.00 1116290.00 979451.00 1272931.00 772621.40 936667.70 989130.70 1034454.00 1001482.00 840117.20 1446146.00 1504317.00 1067711.00 953826.60 793526.60 1233238.00 897633.50 1294645.00 1273478.00 1030092.00 962128.20 1415189.00 1502288.00 820980.50 983351.60 1418351.00 1197812.00 1937830.00 1519119.00 1160628.00 1257371.00 1012324.00 987164.70 903883.30 755217.50 1244675.00 2657986.00 934021.30 1110912.00 1012190.00 1100719.00 872897.20 1144622.00 1152202.00 1301048.00 1316106.00 795151.40 1502121.00 989053.90 1686406.00 1035603.00 1293211.00 1019406.00 1103435.00 1094941.00 1124591.00 1243750.00 1122277.00 2325656.00 920549.80 2575015.00 1598152.00 1197697.00 1146699.00 1469118.00 1118612.00 1366637.00 1111466.00 1197408.00 878493.10 1406648.00 1361320.00 1525675.00 1158122.00 1524811.00 1941500.00 741694.20 677616.10 3-Sulfocatechol 5384432.00 1563032.00 11711020.00 2987396.00 23615040.00 1004382.00 7974648.00 7301916.00 6592034.00 1238979.00 1182570.00 3791040.00 2139389.00 648731.40 9257727.00 1987327.00 589130.40 868337.20 5421054.00 8661090.00 4399790.00 12774280.00 1156364.00 3931461.00 3243314.00 1571514.00 4119949.00 1046162.00 12144310.00 7268738.00 414787.40 2366367.00 3630113.00 1819066.00 4897112.00 3836591.00 13849610.00 1478953.00 1301683.00 3806102.00 2950715.00 1174400.00 11365250.00 3358283.00 1337346.00 1554034.00 3429940.00 6530542.00 3114839.00 564909.80 1263326.00 3966361.00 1538114.00 1793115.00 2346332.00 806520.40 309942.60 394372.00 14747560.00 1810109.00 757293.80 9470344.00 2326556.00 3267749.00 2564422.00 1596795.00 618607.80 1159853.00 1703108.00 1928498.00 1943473.00 2256288.00 3446830.00 4092443.00 815720.80 734814.50 887585.00 4743452.00 7405902.00 3659051.00 2414012.00 8445648.00 2055575.00 2007918.00 436498.50 5745136.00 1310560.00 1447104.00 4177815.00 1243399.00 6389706.00 8873296.00 719007.80 1702586.00 3092444.00 4893176.00 3102490.00 1365857.00 3016782.00 1443574.00 6510456.00 4067679.00 1665158.00 3397536.00 4167640.00 2365382.00 1445701.00 1236056.00 4261530.00 4650792.00 835679.80 2504592.00 1812554.00 1188956.00 2222512.00 38592.45 862875.00 612220.00 1597274.00 3943636.00 6951082.00 2374634.00 919010.70 374562.60 1945896.00 7436414.00 2580750.00 5145968.00 4476550.00 Indole-3-acetaldehyde 3720460.00 8354318.00 2683398.00 2436532.00 3041874.00 4907648.00 3165993.00 4730446.00 2329962.00 3036910.00 5117882.00 4558120.00 6642144.00 6126024.00 5143034.00 3711349.00 5809982.00 5608394.00 4875406.00 3391028.00 4791692.00 3729009.00 6571694.00 4037046.00 5446760.00 6210826.00 5681830.00 6500852.00 8743165.00 6310178.00 6425958.00 4648446.00 2946260.00 4955230.00 4622486.00 4471478.00 5508958.00 4780040.00 4918104.00 3397230.00 3727017.00 5212415.00 4388726.00 3064645.00 1454932.00 5233188.00 3283702.00 4963996.00 5833768.00 4414844.00 2845153.00 5273360.00 5304906.00 5693890.00 3047384.00 2176208.00 3026019.00 5044950.00 3511422.00 2540488.00 4090503.00 3490381.00 3969816.00 3963175.00 3046132.00 3060529.00 3532607.00 3191352.00 4693326.00 3262803.00 3304387.00 4301696.00 3302544.00 3883009.00 3605810.00 2845487.00 2988480.00 2711241.00 5493816.00 5204028.00 3758754.00 4976688.00 5448256.00 5629392.00 4460510.00 2952853.00 5579132.00 2503006.00 4430106.00 4676932.00 4960170.00 3945826.00 1501745.00 5251642.00 4662538.00 4175774.00 5152532.00 4696580.00 4778796.00 4353474.00 4025780.00 4846306.00 5483084.00 2849809.00 3362377.00 4498308.00 5763750.00 5084605.00 3198364.00 2757674.00 6143660.00 8438655.00 4852108.00 6953674.00 3948283.00 5094793.00 4896820.00 4942768.00 4487325.00 4348404.00 5207970.00 3846763.00 5276898.00 5569318.00 3279605.00 3603065.00 5096353.00 4624554.00 3157279.00 Indolepyruvate 77492.70 282407.60 292040.40 200178.40 280977.00 416484.00 201954.60 165897.40 62961.04 116882.00 165672.30 176518.70 240237.10 163281.70 304071.20 53037.08 115421.70 208099.90 232805.00 181800.80 352292.20 168210.10 114575.90 201974.90 128997.00 148311.10 137568.00 140421.50 337630.60 201817.00 203789.30 334384.80 266099.00 253630.80 176221.80 226892.70 294151.50 219635.80 159138.50 90148.34 125894.30 177173.50 373244.80 166265.10 166693.70 408063.60 96118.34 164999.70 217825.90 107147.40 118520.30 136393.60 348542.80 358537.80 297489.30 279681.60 176284.20 306493.00 267579.80 215042.60 252900.30 140400.50 219409.20 114276.30 197451.80 142441.90 234045.00 361538.10 349121.60 270243.30 367180.00 261293.30 87528.73 345690.60 78793.24 44303.13 138586.70 300130.80 198236.50 178341.20 353850.10 98769.32 278888.30 354363.80 250351.90 127954.70 192540.90 250242.70 128109.40 263151.20 296806.40 258877.80 252481.50 233705.40 295460.90 168199.30 282626.70 261514.90 268150.30 170728.80 160809.60 107093.50 164054.40 38455.09 283013.50 339630.40 283889.80 356545.30 314854.20 20895.57 424081.00 493154.00 319326.20 184332.10 117548.70 76811.55 238682.50 132835.10 276937.40 189203.50 262814.80 163078.70 209318.90 209632.40 233589.40 174140.20 238857.30 231371.50 168936.90 L-Tryptophanamide 491371.60 417529.20 278741.00 610654.20 478443.70 503143.80 574426.80 743687.20 508027.50 499468.70 870494.80 535892.30 514679.00 604766.60 526208.90 572132.80 798162.20 864874.10 683121.20 566281.90 1051919.00 725889.60 630631.10 748725.20 760455.10 1223381.00 953870.30 818789.80 566601.30 663727.60 597591.20 548012.80 393369.20 823607.70 1375496.00 395284.30 1123411.00 391737.70 639417.80 711159.70 469188.00 567848.50 1232366.00 553641.90 710828.30 896127.80 787491.90 493075.40 679969.60 932885.20 858663.40 539308.60 1201126.00 1004928.00 569472.10 835593.60 667940.20 673819.80 999543.70 662119.10 1442193.00 463767.20 700057.00 903433.10 410141.80 583821.70 499361.00 401188.20 763496.80 701173.00 732269.40 928672.80 944304.20 526001.30 1464522.00 756147.30 586772.10 915086.30 841056.80 831242.00 519982.00 1210137.00 877263.20 599230.10 738596.00 980833.00 1084441.00 684661.40 924205.80 1043406.00 723844.60 1227227.00 659291.60 1226498.00 1547951.00 939764.80 1125457.00 1376267.00 660101.70 1705256.00 733652.90 1284865.00 1076611.00 828476.40 1341057.00 762625.30 895541.60 628128.80 821648.70 435070.40 1019391.00 978606.20 692307.10 2149458.00 716199.10 782108.30 1187410.00 1382945.00 767424.10 1012905.00 1147970.00 615414.80 945210.50 896607.30 839360.70 454910.90 957306.50 450750.40 547705.30 Ethanolamine phosphate 439717.70 495416.40 256146.10 242534.70 157625.20 195883.60 273427.80 248369.70 227544.70 200917.50 244909.10 380216.60 423865.80 507638.50 460268.90 324307.90 263756.60 276372.50 282049.50 185587.90 263325.20 294932.80 241683.30 278966.60 110731.60 220547.80 211763.20 133460.90 360116.20 200829.20 379666.80 364086.20 259913.10 165131.90 222177.50 106273.90 149600.50 287080.20 172426.20 182700.70 328292.80 177111.60 264932.80 193889.20 140725.10 244474.80 282681.00 265326.30 200552.20 191162.80 283990.20 266911.60 181638.90 160904.30 188134.60 222553.00 239411.20 105931.60 192073.90 160238.80 312976.10 217177.80 200795.20 237209.60 178857.60 203452.10 142348.20 248694.60 166132.80 189396.90 141297.40 110121.00 122942.30 180541.60 71934.74 174523.20 258619.00 177964.60 237306.60 166226.50 310521.70 268508.70 174462.20 187106.50 251558.60 245481.30 226423.80 155768.80 287253.20 82039.45 168862.70 207407.60 170108.00 181368.60 659715.20 434839.00 278495.00 81987.60 459889.40 241062.70 200630.80 238378.00 220622.90 235713.00 114111.50 249774.20 267966.70 203783.90 209482.40 91923.54 166001.20 319624.00 272900.80 267957.40 183552.10 384539.20 125794.50 223129.50 192300.40 277146.00 190442.00 196144.20 181917.00 172385.60 197249.30 167429.90 262191.80 472754.50 271748.30 Pentanoate 197816.60 186254.00 256104.90 177847.90 198868.10 215167.40 247163.00 162224.20 164234.90 227391.90 236988.60 229896.30 156237.10 247079.70 271633.50 132342.90 179765.40 242811.40 167447.80 143607.70 257448.80 267595.80 286092.40 212726.60 244078.50 136241.20 542259.10 330855.80 289315.50 231283.90 252416.90 255572.10 254839.30 161963.10 339378.40 240374.50 207990.10 236150.30 187019.70 174644.60 178185.60 213057.50 222494.90 280003.00 147659.90 285173.60 176896.80 221714.80 202017.20 196401.90 166438.50 159901.20 253134.50 250411.40 152825.10 218793.40 162932.70 220380.10 237750.30 218519.80 364468.70 115093.90 241931.40 252396.90 236076.70 191403.00 208533.00 214591.80 128989.60 143044.00 159927.00 325809.10 128766.40 215092.90 265710.80 223331.20 170932.20 275101.00 204481.80 260474.10 238224.90 250373.20 257293.60 234280.80 213342.80 168934.50 373756.40 322570.80 191963.80 198342.40 227795.20 198851.70 150264.90 416542.10 195604.00 134345.10 301808.40 195387.90 249611.40 110393.10 219889.70 413888.30 194981.70 188119.50 228827.00 196502.10 242485.90 215530.00 164961.70 241485.80 267136.70 258376.10 251586.60 380834.50 242060.90 154550.30 317749.50 197828.10 126046.70 270408.30 196770.90 130764.10 142542.20 153931.80 190622.10 137236.30 232487.30 288183.10 156558.80 Hexanoic acid 634908.90 625595.20 509182.80 424780.50 537063.20 662088.20 721539.80 469205.00 394241.50 589107.60 639050.50 523092.90 520373.20 487648.60 612558.70 1087580.00 510976.60 632182.70 627049.40 615576.60 937713.30 562153.40 424183.10 418427.20 737714.80 754816.60 673946.50 669180.10 1024362.00 551851.60 617422.40 628790.60 410017.10 630813.90 707464.90 604920.70 660788.00 814067.00 862595.90 521229.40 782309.80 536821.10 451952.00 570247.70 313737.50 922832.30 746835.80 859749.00 772677.40 565966.80 600420.90 765494.70 765776.80 859358.80 640422.20 641640.50 623029.40 543799.80 600678.80 665859.00 621053.70 478366.90 501507.60 768825.00 679415.40 555850.70 490129.00 600245.50 563556.20 553933.40 472274.60 785270.80 553787.50 596877.30 606567.30 616121.10 653588.90 519759.10 749743.60 684619.60 506917.80 766725.10 745313.00 670192.80 564087.20 621917.80 583079.60 589928.60 680386.10 565608.80 544376.80 595988.70 654383.50 808020.20 555206.90 500803.80 715877.50 683353.90 565876.00 743574.70 722243.20 983141.00 713172.50 751140.40 745068.00 657228.10 730659.50 563842.60 701040.00 724363.50 768073.30 554941.80 716892.20 571946.80 782994.90 673849.60 822857.80 558232.90 659349.70 558440.40 719491.40 543009.60 750163.30 899200.60 530522.20 897786.20 678750.80 651914.70 645914.20 Heptanoic acid 509281.60 410498.60 434289.60 553377.80 390365.00 555576.90 553575.50 615565.30 336620.30 418312.80 432598.30 333155.60 563348.90 429112.50 625583.80 1007810.00 457885.10 606766.90 516071.60 473844.40 1228002.00 576894.00 425935.20 407459.80 639140.20 678263.80 624974.20 544361.70 1040152.00 476169.40 647137.20 782073.00 428037.10 486441.80 714874.70 411520.20 490482.40 726634.80 979026.70 589693.90 573561.60 541624.30 419156.20 421177.10 345942.30 1006735.00 553901.50 659224.10 764615.00 686445.30 749135.00 505339.20 661450.20 976081.60 370588.40 647821.20 646338.00 424297.80 395671.60 382014.00 617812.40 492214.40 524997.30 536524.90 489676.00 381117.00 520405.60 406426.80 578007.70 498034.90 579840.30 610012.80 559943.00 516425.60 480573.70 667451.20 460433.10 638331.20 640162.70 507845.30 859946.80 627412.40 753374.10 662355.80 461559.70 664782.90 582045.50 346801.90 513903.30 388858.50 503260.80 548501.60 758740.40 642337.60 491401.10 670635.60 512351.70 588732.60 473630.00 587722.20 520636.20 1173158.00 508065.60 986794.10 707062.80 627688.90 513064.30 621349.10 818202.60 549759.60 636619.60 496285.20 589196.50 722967.90 604567.20 614430.50 702821.30 537482.30 562485.80 381016.20 515256.60 539823.60 540759.20 656048.40 445250.50 773558.00 679169.80 966254.50 601684.40 Octanoic acid 32053480.00 27433580.00 30456850.00 43250860.00 29812370.00 29910860.00 28155670.00 38728040.00 34763760.00 26553000.00 43073840.00 43276690.00 46919700.00 62089790.00 122923500.00 126709500.00 106456200.00 116679700.00 105283800.00 114293800.00 103017300.00 87027220.00 102007600.00 97096100.00 96157780.00 146167500.00 89664860.00 98453020.00 102738800.00 109224000.00 119166900.00 120257500.00 104083900.00 94102210.00 136163600.00 83904810.00 116279500.00 96333160.00 98528600.00 83079740.00 88470200.00 89924310.00 118342500.00 69301600.00 95581340.00 103190400.00 69657250.00 104844300.00 103845000.00 120914700.00 154513200.00 112713800.00 129810900.00 140463300.00 27919320.00 41193720.00 32585540.00 28095590.00 34891710.00 36230460.00 33201120.00 39822260.00 36809280.00 37738910.00 37870600.00 32530610.00 40311710.00 40502040.00 42821300.00 37264330.00 36445720.00 52835120.00 48842800.00 43765340.00 48921310.00 48430090.00 42988980.00 51672380.00 42717750.00 40683900.00 42432340.00 53908860.00 53862910.00 51463440.00 54747300.00 49533680.00 42809550.00 252861900.00 50444420.00 40182940.00 69451180.00 59315550.00 55155770.00 64878880.00 54666060.00 44054360.00 49014060.00 58261740.00 102920400.00 110030700.00 100924400.00 135868700.00 76414180.00 129662500.00 158042300.00 135075900.00 92522760.00 98493250.00 102232100.00 111929800.00 97254460.00 81333820.00 104452400.00 179726600.00 90183130.00 125244300.00 101881700.00 118139500.00 106228500.00 94205470.00 124162200.00 123054600.00 134102000.00 135945900.00 143358000.00 141533200.00 106808400.00 133997100.00 128279800.00 Nonanoic acid 6364882.00 7484346.00 8542560.00 11307290.00 6389778.00 7845760.00 9862853.00 10578620.00 7725056.00 7480844.00 8637576.00 9318563.00 11605230.00 7991734.00 9839857.00 9369645.00 11872210.00 10676850.00 8524529.00 10918500.00 12760590.00 10208780.00 10803530.00 8910695.00 6051944.00 10856950.00 7600010.00 10630250.00 14982070.00 10761780.00 9574865.00 11488010.00 10286560.00 9001034.00 12245420.00 8519455.00 8890045.00 13864170.00 21213400.00 8613724.00 6714626.00 8418165.00 10649780.00 7798026.00 6908700.00 15276720.00 10337590.00 11366020.00 10628610.00 11143870.00 10393200.00 9409861.00 8934834.00 9755253.00 7401238.00 9030269.00 8322438.00 8300360.00 6988398.00 8780241.00 10542650.00 10851670.00 9187980.00 7513106.00 8554675.00 8073182.00 12051500.00 8605578.00 9266961.00 7033310.00 9655193.00 6802732.00 9056467.00 8515871.00 8584800.00 9898908.00 7302710.00 9839262.00 10653400.00 9251281.00 10538760.00 9326093.00 13925610.00 7091782.00 11678220.00 8649968.00 8953433.00 7012538.00 8872851.00 9210252.00 7460238.00 8483617.00 8493011.00 8762573.00 8283308.00 12668960.00 10238080.00 8994065.00 9299952.00 11667830.00 10865560.00 17077890.00 9270363.00 18238690.00 16446060.00 10292090.00 8758916.00 7954662.00 11325600.00 11439980.00 6841614.00 9046453.00 7502750.00 14830030.00 11026490.00 11450980.00 12473000.00 10867080.00 7635086.00 6355206.00 8384412.00 8753741.00 7581282.00 8803609.00 8899263.00 11443820.00 10795470.00 9872172.00 7723060.00 Decanoic acid 11561600.00 22220490.00 17983710.00 16818030.00 15739830.00 29313610.00 26779900.00 24544550.00 19396120.00 17086470.00 31778320.00 25665660.00 20276760.00 17729620.00 29343930.00 19587930.00 22992090.00 43357440.00 17269570.00 22359650.00 20251120.00 23799140.00 21923950.00 20613330.00 12970940.00 18609990.00 16464700.00 20273470.00 26046290.00 25716520.00 29134220.00 18259270.00 13037070.00 18529360.00 26038590.00 15142930.00 18924280.00 15976100.00 30538690.00 14469400.00 14565650.00 11160730.00 16998430.00 11750960.00 14946960.00 17561590.00 26054370.00 23429400.00 22735020.00 16518490.00 23627690.00 22176230.00 13414680.00 20367820.00 13484740.00 23895490.00 32745970.00 16022540.00 19061490.00 18845630.00 23878350.00 22927930.00 20334860.00 21273550.00 32872400.00 18406860.00 22979110.00 21340530.00 21173110.00 18657120.00 22929660.00 19993500.00 19259130.00 17457090.00 16801160.00 33432810.00 15314590.00 23773830.00 30142210.00 26436340.00 25714330.00 16158350.00 16284640.00 21833980.00 21672160.00 18751900.00 19503790.00 18123430.00 22966270.00 21041850.00 23467020.00 19973000.00 18398280.00 39899600.00 17573950.00 17115220.00 16707660.00 14287230.00 33363720.00 24933090.00 27938010.00 28992850.00 13106940.00 22103240.00 76420460.00 21502030.00 10619520.00 15388930.00 36298190.00 19748550.00 15646570.00 16588750.00 24194670.00 34009480.00 18039260.00 40646080.00 21568090.00 15987120.00 16030390.00 12088070.00 22359670.00 20099700.00 11883620.00 17494730.00 13145330.00 40725900.00 24635090.00 23801990.00 19166880.00 Dodecanoic acid 14259160.00 11955680.00 23544290.00 5684684.00 6232168.00 26134580.00 13806870.00 26212170.00 28563950.00 24099620.00 32170090.00 22054220.00 10098090.00 25006680.00 67484470.00 32868480.00 19346220.00 35952130.00 6007984.00 10839860.00 20165290.00 33287340.00 13792460.00 14321150.00 5590278.00 15601020.00 74180100.00 20371030.00 9822859.00 19846690.00 28281070.00 9610666.00 13333110.00 34179060.00 23725770.00 5991540.00 28745030.00 11680620.00 16630080.00 5850828.00 25511320.00 9467640.00 17209350.00 11009890.00 18010040.00 8320810.00 21352510.00 22403090.00 22234850.00 24290280.00 36547520.00 29729620.00 5252022.00 15980810.00 14955160.00 12032520.00 22199280.00 11729410.00 15017810.00 13124210.00 13391870.00 9806878.00 5696006.00 83810640.00 15109330.00 12660170.00 11686120.00 5339572.00 11354480.00 15206560.00 8740737.00 24436600.00 20406170.00 8624339.00 17664530.00 15732820.00 16186440.00 66989040.00 6577554.00 10813310.00 14947240.00 8789370.00 6072274.00 18163550.00 15018740.00 25684830.00 13791460.00 4301404.00 26778140.00 7311326.00 56267470.00 26271610.00 5272534.00 76737870.00 8341446.00 32514370.00 26664720.00 14097640.00 16617000.00 60096480.00 48097900.00 24960870.00 6470840.00 30639800.00 65007880.00 17088590.00 12185480.00 7495966.00 14372590.00 21333910.00 15746430.00 19155840.00 28093110.00 8268364.00 11487840.00 125159900.00 66468640.00 19629700.00 20117070.00 19223050.00 9872179.00 14061020.00 8103570.00 12032620.00 25861510.00 21667860.00 20005230.00 69679100.00 40797920.00 Tetradecanoic acid 24432870.00 36568400.00 51029240.00 10704140.00 19051300.00 45174180.00 14816800.00 31599760.00 62382910.00 41956400.00 65220460.00 40995290.00 24572220.00 60447760.00 74642110.00 116655200.00 37505240.00 70780090.00 15741360.00 29660060.00 40087130.00 40451630.00 36342800.00 27367250.00 16150700.00 37873400.00 35994380.00 57361910.00 17420390.00 55227650.00 102791200.00 15419310.00 29928970.00 109777300.00 27674930.00 19176300.00 78220890.00 24622070.00 41706000.00 13517520.00 39169080.00 20711540.00 23811030.00 19367240.00 49523250.00 16343220.00 49580180.00 39755620.00 44802830.00 72768470.00 72847590.00 63056440.00 15221280.00 29714970.00 25085850.00 18208760.00 48417420.00 30421250.00 46576820.00 16034780.00 39020660.00 21408270.00 11584320.00 164036000.00 48025000.00 47556540.00 35861080.00 10324110.00 32024150.00 47337790.00 15592080.00 29532940.00 48628260.00 13199620.00 30554060.00 64984040.00 17711340.00 50987440.00 13006650.00 20588240.00 22394660.00 19017910.00 15994950.00 51114220.00 56914960.00 33914800.00 31525580.00 7183704.00 61498770.00 14643550.00 20629560.00 25436080.00 13083840.00 152478300.00 13347490.00 70136220.00 52415430.00 26870310.00 28125850.00 112025500.00 115162000.00 56782460.00 19759090.00 53389680.00 92197980.00 30458620.00 32179340.00 17720900.00 25814330.00 72717180.00 42897970.00 15197070.00 57048720.00 13526910.00 43644660.00 95878750.00 120551000.00 68297820.00 51350160.00 27688790.00 24911970.00 42547710.00 31713960.00 18206170.00 46941060.00 37841600.00 33229480.00 54438870.00 38027330.00 Hexadecanoic acid 195555600.00 301487000.00 337413800.00 163760700.00 209898000.00 347842700.00 204842000.00 291887600.00 345143600.00 253472800.00 378999900.00 337347900.00 301964000.00 390977000.00 492594200.00 645510600.00 319179000.00 374540200.00 233089700.00 199350400.00 388510000.00 259237600.00 412451700.00 278949300.00 284984400.00 307868700.00 275897200.00 438057000.00 228888000.00 347063800.00 532682900.00 210160800.00 266028400.00 502789300.00 321772800.00 290973700.00 482403200.00 241303600.00 362665400.00 199171000.00 441812600.00 372999900.00 294299400.00 250062600.00 305441900.00 241118900.00 470140400.00 360616400.00 380831600.00 502572300.00 422818300.00 474125700.00 275318100.00 303817700.00 226927000.00 221961000.00 413765800.00 269743900.00 313543400.00 229658600.00 333557200.00 235947400.00 244512000.00 603679000.00 335717700.00 367886400.00 312743800.00 155823200.00 364862100.00 334063400.00 233261900.00 318844800.00 428176400.00 237350500.00 274541400.00 455608700.00 281208200.00 285927800.00 192419600.00 287999900.00 279130000.00 268088000.00 262561300.00 443315800.00 374898000.00 265294100.00 331433000.00 136447200.00 420337400.00 230992300.00 204778500.00 249376500.00 255674100.00 568186200.00 294817900.00 511796000.00 492994500.00 374411000.00 232564500.00 647356700.00 436608300.00 440131500.00 237363100.00 415053400.00 465798400.00 332963800.00 255879000.00 253449300.00 246886800.00 411427500.00 360529100.00 196921100.00 299908200.00 266819800.00 433643500.00 429519600.00 625433200.00 447699600.00 363222100.00 353665600.00 291115100.00 276329600.00 395869800.00 329892600.00 382146700.00 322147800.00 430437000.00 395650400.00 301224600.00 Octadecanoic acid 90115740.00 119272500.00 90156640.00 73205340.00 88023300.00 115175500.00 109686600.00 129777600.00 114461700.00 108750000.00 108116100.00 95126050.00 122845300.00 170128700.00 129478300.00 152692500.00 109682900.00 110380400.00 108967500.00 89528330.00 117187400.00 119952300.00 115581800.00 89151130.00 90460900.00 118005300.00 103713200.00 113552600.00 85755140.00 129453800.00 181632000.00 115226600.00 129645100.00 140616200.00 110554800.00 86150890.00 132341700.00 97168810.00 138110200.00 93904550.00 136009600.00 117646400.00 107343600.00 87003230.00 111957200.00 99638660.00 123426500.00 107629400.00 135023100.00 168759900.00 128545000.00 144686400.00 84227860.00 94623130.00 84786310.00 84638660.00 121874400.00 100495400.00 138571300.00 117959900.00 105588600.00 96948580.00 117566500.00 164660400.00 111841500.00 132015000.00 85921660.00 68724900.00 92110230.00 120560500.00 92143820.00 96386720.00 105095700.00 87606500.00 113061400.00 142368500.00 113733400.00 137300700.00 76958140.00 90518370.00 89159830.00 134243800.00 93918210.00 141050600.00 124124600.00 105114900.00 92334080.00 67435210.00 117248700.00 77819230.00 83706390.00 78583340.00 85157860.00 168866400.00 114426300.00 144784200.00 154995300.00 128618900.00 85144920.00 189228200.00 137846300.00 156151400.00 88784550.00 128012700.00 145390000.00 93397220.00 96525530.00 101570200.00 104334000.00 107139400.00 127170400.00 88137430.00 90570330.00 90753310.00 97808060.00 119614800.00 166368000.00 130251600.00 104441500.00 105574200.00 103497800.00 87338920.00 112744200.00 92475620.00 109350900.00 79042940.00 135531700.00 105637200.00 92784860.00 Tetradecenoic acid 2585300.00 5027080.00 13357070.00 711863.90 1518665.00 5658414.00 1368211.00 2184413.00 25054370.00 10205410.00 8812109.00 4494696.00 1919966.00 5837304.00 9803715.00 30257860.00 3746588.00 9705372.00 1515602.00 2721149.00 3802798.00 6004364.00 3775533.00 4690038.00 1025917.00 5464910.00 1695589.00 9843957.00 1643547.00 7480784.00 19350910.00 1493054.00 5368806.00 29285540.00 2387679.00 2405136.00 10390770.00 3176072.00 8525099.00 1053211.00 6316770.00 2947620.00 1818990.00 2203344.00 10199850.00 1379386.00 9748157.00 5442864.00 3707431.00 18729250.00 7171782.00 20017290.00 1767019.00 5976424.00 2763110.00 2767565.00 9007636.00 6184142.00 9986235.00 1729378.00 7078920.00 2255338.00 866669.00 38508050.00 24188520.00 14344740.00 5399696.00 1037290.00 5712776.00 15405390.00 1565214.00 5870210.00 13040120.00 1694635.00 4333581.00 15520270.00 940942.80 4582464.00 959969.70 2151539.00 2095576.00 2273277.00 1989895.00 7191954.00 7029392.00 4859410.00 5065810.00 252483.10 10261020.00 1828299.00 1090325.00 2477626.00 2488785.00 22660360.00 1766894.00 22261620.00 10570830.00 4475496.00 2938669.00 17016020.00 32137950.00 5924150.00 1722451.00 8323016.00 11667640.00 7792814.00 7701608.00 2235948.00 1789133.00 26496710.00 7307612.00 1433605.00 12357880.00 767418.40 15560530.00 7544444.00 37304920.00 24004210.00 13055870.00 6338282.00 2188105.00 10616640.00 2740700.00 2107966.00 10674560.00 5004938.00 7023470.00 4080806.00 7522488.00 Hexadecenoic acid 16154500.00 55442760.00 95346250.00 9577497.00 24498320.00 37281850.00 6136028.00 28122600.00 188273200.00 54364630.00 52110550.00 26697880.00 27477800.00 47587210.00 97477940.00 269887600.00 33102930.00 38367060.00 11179370.00 15423050.00 22966580.00 37425940.00 60883560.00 30535420.00 14116100.00 28345830.00 20523240.00 82021700.00 13223170.00 73236740.00 212610800.00 16054480.00 58092620.00 231142400.00 17553920.00 39174950.00 98704170.00 14002900.00 78042140.00 7223676.00 79606280.00 40926240.00 13420010.00 31876840.00 92040660.00 7984180.00 78676470.00 58508120.00 23277550.00 180625500.00 106897600.00 131122100.00 19705070.00 48935180.00 28284590.00 26615450.00 111961100.00 46630000.00 74257180.00 26130280.00 52761760.00 21315790.00 13352820.00 180053700.00 128371900.00 152805200.00 60770660.00 3958602.00 41863730.00 133253000.00 16028860.00 34204720.00 111684200.00 9825391.00 17092910.00 190324500.00 10285180.00 34860120.00 6733074.00 23323470.00 22661870.00 25708870.00 20449020.00 60385140.00 72205910.00 51837060.00 38535730.00 3056424.00 101650800.00 17915460.00 10931750.00 16357730.00 31645620.00 130818000.00 20096560.00 186313500.00 107243600.00 54453140.00 19580760.00 131063400.00 143131100.00 46120240.00 12053840.00 100336900.00 58989580.00 66089250.00 51161790.00 22939990.00 26840200.00 244013900.00 53022560.00 14746070.00 59187340.00 8862806.00 160080100.00 65440620.00 208868600.00 193102300.00 86781210.00 45886100.00 24701330.00 82550860.00 37116890.00 24274700.00 107745000.00 35416900.00 81734900.00 45524820.00 51113000.00 Octadecenoic acid 117649300.00 292353100.00 305011500.00 77914020.00 180348100.00 273544600.00 99689270.00 264427000.00 534320900.00 252674700.00 364529500.00 237191600.00 311761900.00 479504100.00 540842400.00 830644900.00 230261600.00 209497800.00 149386200.00 190749600.00 322799500.00 226669900.00 410511800.00 238283700.00 150743300.00 256629800.00 259320500.00 329750400.00 114458100.00 411096700.00 585172000.00 96957060.00 218607200.00 711435800.00 275133000.00 252139800.00 532195400.00 108216800.00 451869200.00 100537300.00 457063400.00 274603500.00 175864600.00 264351600.00 309675600.00 146697100.00 396570300.00 389194900.00 359349300.00 541613400.00 415596900.00 554313700.00 184227900.00 288973200.00 198929500.00 146843100.00 455964000.00 202033900.00 291519600.00 218366300.00 279127300.00 191427900.00 147801300.00 812716600.00 336315000.00 505900700.00 259840400.00 61692180.00 184583400.00 323076300.00 106927400.00 179981600.00 430182000.00 108729000.00 175784300.00 653449500.00 196513400.00 195455800.00 79817750.00 167018300.00 165539100.00 222915200.00 201878100.00 340543300.00 327253900.00 225799600.00 209239900.00 34842530.00 461579600.00 174699300.00 112702300.00 146330800.00 214640800.00 644096000.00 161077400.00 632517600.00 539613000.00 261971300.00 140302500.00 665717800.00 473032400.00 364518400.00 158994300.00 532857700.00 390526600.00 288439900.00 253602900.00 145136500.00 164681500.00 555397200.00 287294500.00 155519700.00 274518200.00 238022100.00 467730200.00 370208900.00 618794000.00 610897800.00 298887800.00 306208500.00 281290200.00 303472800.00 262163800.00 168580200.00 456720200.00 192000800.00 503318100.00 361102800.00 325327300.00 Linoleic acid 81009810.00 174076800.00 219414500.00 103922500.00 104226300.00 238217300.00 53133910.00 191673700.00 412596200.00 168894000.00 335038500.00 220978800.00 343575400.00 311124600.00 328757300.00 578950000.00 211198400.00 140602900.00 76374570.00 157198600.00 274024800.00 191367700.00 310723700.00 239293100.00 126170900.00 205908600.00 184233000.00 183563900.00 79296300.00 297798800.00 763057100.00 106935200.00 266998800.00 503634500.00 190801000.00 164415700.00 384280000.00 56358940.00 251928100.00 73815140.00 311928200.00 203501400.00 149545300.00 129341700.00 297354200.00 113605600.00 309853700.00 299630400.00 173153700.00 472591600.00 444016700.00 302431700.00 106237700.00 189887800.00 89718980.00 121869100.00 365638600.00 145092300.00 247094100.00 92098460.00 212067700.00 134677100.00 71032700.00 525590000.00 264592900.00 458664400.00 189443200.00 33604080.00 125214500.00 322405200.00 85661110.00 141013000.00 313347900.00 66349430.00 108321900.00 673824300.00 118259100.00 190344600.00 65841870.00 138452100.00 89361050.00 123039500.00 123839600.00 243562500.00 286583200.00 201125800.00 92142140.00 29064290.00 243436500.00 115681400.00 63808550.00 121106300.00 164153400.00 466246000.00 145493400.00 518442100.00 303148000.00 171280500.00 112641400.00 386438400.00 359878900.00 434400400.00 100213200.00 527179100.00 255951600.00 159789400.00 134842600.00 120149800.00 152183100.00 440298200.00 125179700.00 71603260.00 186547000.00 191840800.00 381978500.00 330118000.00 448810500.00 542448900.00 156608400.00 204013600.00 258743100.00 242972100.00 165251000.00 186314100.00 363771100.00 99489830.00 321105300.00 328958500.00 205686100.00 a-Linolenic acid 8641867.00 23384170.00 24693550.00 6841078.00 14087200.00 31155400.00 5634190.00 18153780.00 62366620.00 18559610.00 42297280.00 30532220.00 35236710.00 49495360.00 53719350.00 93115610.00 31278780.00 14593160.00 7258426.00 23936850.00 33946190.00 33676410.00 28375980.00 38757900.00 17116380.00 32617510.00 13804930.00 21063870.00 6396634.00 38760740.00 123060700.00 7275354.00 47105950.00 75213060.00 28466380.00 15683910.00 51468880.00 4800692.00 23319270.00 11004080.00 31618580.00 19518370.00 23807690.00 11458310.00 52282510.00 12189260.00 49514560.00 39593860.00 16081870.00 74031180.00 39362800.00 38981350.00 10555230.00 21321070.00 11090450.00 10804490.00 43994780.00 11639690.00 40201330.00 9643785.00 20255840.00 13475710.00 6279160.00 91404900.00 26363300.00 62567420.00 16913850.00 3050283.00 13418680.00 38186540.00 3617464.00 25088880.00 30957660.00 7853148.00 19718300.00 90336980.00 6685196.00 20784660.00 4342992.00 11122060.00 10123270.00 9320285.00 9478267.00 20822780.00 37691360.00 30962860.00 8282372.00 1767851.00 36813250.00 21251530.00 4525838.00 10704680.00 25606030.00 79886430.00 9912772.00 76652330.00 51127040.00 29856250.00 14714320.00 42271200.00 63477030.00 79885300.00 7300562.00 59295360.00 32734630.00 17109660.00 17132030.00 14144000.00 20632180.00 40006600.00 8971727.00 7833508.00 20420960.00 19142330.00 34498560.00 41171280.00 85487620.00 67125190.00 18545480.00 26033330.00 32053230.00 56483900.00 13769490.00 15054560.00 56221520.00 9703975.00 32344750.00 47175640.00 31740230.00 Arachidonic acid 12935000.00 17444550.00 8655419.00 5976624.00 10349220.00 11525340.00 4123383.00 11534780.00 11966350.00 8514488.00 15911520.00 9110626.00 36025020.00 28322830.00 34728480.00 57698960.00 32996460.00 20301420.00 20890890.00 25304600.00 29989140.00 16399030.00 23415550.00 20913180.00 29258570.00 32417770.00 24828090.00 33754200.00 13818720.00 43421800.00 75329870.00 17259580.00 13310710.00 26300770.00 12145330.00 14429060.00 34867630.00 5493158.00 13765960.00 7214878.00 24117330.00 16827940.00 8932719.00 13205830.00 19282030.00 7539588.00 19579520.00 11784620.00 13801390.00 25830820.00 15555390.00 22219070.00 17023320.00 16418770.00 5238194.00 12891160.00 20756250.00 8372244.00 14506180.00 6161210.00 19500380.00 8287044.00 5298410.00 41245090.00 16898950.00 22540660.00 19449140.00 4892704.00 13043670.00 19112240.00 11944920.00 7961754.00 11441610.00 8308430.00 15270980.00 40039520.00 7987902.00 15490400.00 11525950.00 11787680.00 27159620.00 17059310.00 19223720.00 17638210.00 18665040.00 15774390.00 18375840.00 5967394.00 11347230.00 11733750.00 6724760.00 9468371.00 8077866.00 40904470.00 25128290.00 40194050.00 36984470.00 29151130.00 14214570.00 21232140.00 22872810.00 35395530.00 15145360.00 25582070.00 34812990.00 16425000.00 14153870.00 12850460.00 20429950.00 36299390.00 16120100.00 6829524.00 11867980.00 7060554.00 32094000.00 19638490.00 32224980.00 26326350.00 15025060.00 21051420.00 9485047.00 16972190.00 16432750.00 10471950.00 12614310.00 10406040.00 21256470.00 17803010.00 11900780.00 Dodecanedioic acid 299614.10 199108.80 176654.40 159826.40 144590.10 212268.90 195283.80 478504.60 204519.20 198984.60 254463.70 299728.10 188278.10 275530.80 364910.20 266575.30 288092.20 295813.50 157733.30 186143.40 190606.80 653762.90 262378.40 996449.30 207589.70 752690.30 367487.50 227410.90 210626.90 249239.40 443900.20 449364.40 162466.30 161801.00 313491.20 171141.40 323357.80 193624.10 152351.40 172244.20 482348.10 176801.90 259020.90 212214.70 168427.30 149883.60 226834.60 345280.20 137761.80 173748.50 380235.80 270378.20 217224.50 139034.10 215938.50 331369.60 240814.70 202653.80 158774.90 191731.40 266548.50 248531.60 189552.30 364283.10 208741.40 232679.30 179444.20 255899.80 242468.30 196602.60 191732.20 292267.30 190591.80 163993.10 530287.90 264754.90 322943.20 562804.20 310129.70 214560.90 288395.10 372260.00 156514.10 242846.90 169265.80 740787.70 402534.80 183043.70 332524.50 266890.60 628544.30 586077.00 546832.60 424852.90 209081.90 583485.90 147791.20 169214.10 281264.80 389165.30 305424.80 289730.20 198850.40 552132.10 1028635.00 194430.00 183539.20 157794.30 256428.60 629699.70 280638.50 720294.20 224940.80 118754.80 259903.80 1194984.00 441916.30 175145.90 181346.30 164827.80 255143.60 236636.80 251861.00 215202.60 210917.70 532823.00 633537.50 466222.70 2279323.00 Adrenic acid 834459.80 1868377.00 1496458.00 868151.20 1266379.00 2028433.00 548801.50 1844173.00 2316856.00 1352409.00 2485840.00 1532741.00 2931945.00 3028486.00 3055706.00 7548268.00 2512985.00 2366050.00 1915982.00 1976073.00 3617771.00 1653972.00 3105046.00 2140680.00 2823477.00 3895969.00 2208267.00 4389942.00 1143277.00 6248630.00 10622470.00 1279304.00 1318458.00 5759088.00 1995618.00 2889219.00 5515078.00 671061.40 3578752.00 722580.00 6295700.00 3050077.00 1519292.00 2863912.00 3280731.00 1069686.00 3853767.00 2280508.00 2442739.00 5243878.00 3072170.00 5438306.00 2846345.00 2474534.00 641431.80 1378744.00 2850401.00 1155054.00 2111804.00 651996.90 3144168.00 1065195.00 871699.80 7684548.00 3125399.00 5113976.00 2535724.00 507101.70 1703682.00 4312045.00 1160684.00 1243950.00 1880783.00 1198178.00 1941153.00 6705626.00 1071998.00 1969208.00 1127555.00 994681.90 2175647.00 1890329.00 2473957.00 2843532.00 2052780.00 1589256.00 2092602.00 477751.50 2640399.00 1449975.00 664122.20 1294685.00 1341199.00 6273212.00 1775656.00 4764003.00 4775630.00 2526559.00 1236817.00 3678644.00 2397528.00 3793472.00 1208367.00 2564999.00 3779521.00 1212543.00 1222257.00 1046396.00 698637.70 6987246.00 1663704.00 786141.80 1283715.00 1292782.00 6084056.00 3066399.00 6184936.00 6486770.00 2343507.00 2852693.00 2033832.00 1636896.00 3222797.00 1735484.00 1898377.00 1117336.00 3486757.00 3331623.00 2305805.00 Dihomo-gamma-linolenic acid 1231700.00 2901517.00 3807105.00 1170963.00 2225825.00 3809197.00 1108409.00 3118585.00 3417993.00 2082202.00 4929262.00 2561954.00 4893828.00 4731628.00 6942772.00 13943860.00 5391274.00 4255970.00 3210396.00 4481676.00 6332526.00 3021269.00 6685618.00 3766875.00 4534116.00 6942526.00 5910922.00 7531504.00 4384565.00 9648395.00 19882070.00 2692417.00 3920573.00 8690655.00 4050219.00 3624275.00 6534046.00 1394157.00 6487560.00 1599211.00 4259404.00 4617630.00 3628526.00 2826128.00 4107881.00 1547930.00 4510147.00 5123900.00 4674958.00 7254302.00 5858526.00 6037530.00 4151733.00 4885572.00 1206609.00 2036548.00 5395592.00 1973860.00 3550317.00 1365675.00 4040142.00 2039231.00 1080689.00 9298743.00 4372932.00 5835460.00 2893187.00 839235.40 3698471.00 4607728.00 2314206.00 3731971.00 3431819.00 2327341.00 2753769.00 13061370.00 1377499.00 4131042.00 2620288.00 2760236.00 4448800.00 2920194.00 4326332.00 3313660.00 3458541.00 2943280.00 4692630.00 594020.60 3918895.00 2884941.00 1257890.00 2207460.00 1696427.00 9483991.00 5088846.00 8217684.00 10071630.00 7152342.00 2506036.00 6775830.00 6968546.00 8496769.00 2931439.00 6346494.00 6211906.00 5232974.00 3129735.00 3870339.00 3561514.00 9429042.00 3013685.00 1536433.00 3943148.00 2306103.00 5895648.00 6933100.00 11204720.00 8872993.00 4294970.00 3557000.00 4355820.00 2909858.00 4062022.00 3402870.00 3602638.00 2120379.00 3513241.00 4933862.00 4243734.00 Docosapentaenoic acid 806934.10 3610653.00 2279010.00 569253.10 1675555.00 2175953.00 677754.10 2182721.00 3368292.00 1413722.00 3025939.00 1994024.00 1304314.00 4811928.00 4094201.00 7554330.00 2255963.00 2197492.00 1828204.00 1854665.00 6168584.00 2712233.00 2376322.00 1778718.00 2031749.00 2957075.00 1693423.00 3753183.00 1113445.00 7349362.00 12071730.00 1799082.00 1651566.00 6170272.00 2363052.00 2055716.00 6243462.00 783932.20 1994762.00 846921.80 4561192.00 2112329.00 1478283.00 2458706.00 4598320.00 646329.60 3773999.00 3020137.00 2028652.00 5263604.00 3416930.00 3868808.00 2245915.00 3688204.00 565529.40 1371541.00 4921772.00 1056093.00 3179647.00 587243.50 1975913.00 1202700.00 633878.60 11999520.00 3211984.00 6737918.00 2291247.00 336224.20 2198570.00 4820192.00 1227489.00 2237042.00 2653046.00 1317920.00 3740002.00 7505150.00 1014354.00 2512375.00 896622.20 1737820.00 2399399.00 1610273.00 1547441.00 2871237.00 3780163.00 2112046.00 2110883.00 323776.70 2846380.00 2851666.00 1354133.00 1890392.00 1171228.00 6317854.00 1204824.00 6995880.00 5156742.00 1820014.00 1080270.00 9633917.00 6409204.00 3550631.00 1315054.00 7703084.00 3272698.00 2746171.00 1777147.00 1630010.00 2212416.00 5528138.00 2283818.00 635953.20 2454231.00 755901.20 5589266.00 3639731.00 7544250.00 4123544.00 1698184.00 3516189.00 1761463.00 2907752.00 2034253.00 1387225.00 2789097.00 1148640.00 3621554.00 3063909.00 2324303.00 Undecanoic acid 894135.20 780708.70 959795.00 842076.40 808100.80 1117979.00 1093148.00 968076.80 945550.50 915232.10 1045633.00 1229235.00 846288.90 1013284.00 1332376.00 1126418.00 959443.10 2114116.00 706323.60 847396.80 768310.40 857740.50 964392.30 711974.50 621429.80 1052477.00 782340.00 971733.90 970236.00 981092.20 1399843.00 971160.70 1187288.00 1021504.00 912877.30 739065.20 1132750.00 942454.00 1022985.00 684311.10 882640.40 750881.80 799492.70 755491.10 1014740.00 800937.10 1087281.00 795100.80 927341.20 1024929.00 1195491.00 1036596.00 645667.70 1002125.00 801423.30 1001775.00 1051857.00 918850.80 837489.20 746631.40 1084389.00 870377.50 751352.60 1153990.00 1217389.00 789127.70 1006675.00 753618.60 761204.80 736062.70 814904.00 917427.80 897084.50 790446.00 1082657.00 1053655.00 651756.00 1110166.00 1296559.00 865659.40 1015625.00 690561.80 675936.30 1014527.00 984179.80 972128.10 774320.30 684248.20 1011516.00 803933.40 794862.30 957814.80 838867.30 1451759.00 778411.30 872325.70 875409.20 865260.60 1066686.00 1017499.00 1391576.00 1005100.00 758951.50 1091756.00 1310442.00 917613.20 690234.20 586361.50 1266145.00 915612.80 743222.80 659653.90 1436769.00 657609.80 720818.00 1032057.00 1067313.00 744798.40 672196.80 693320.70 723154.00 959906.10 739234.80 703043.70 890351.50 1195014.00 826175.60 1057858.00 812764.00 Ursodeoxycholate 126021.80 425473.10 74984.56 122199.20 125467.30 112567.70 264508.20 207214.90 79948.12 110644.50 375640.00 413891.20 88729.59 331747.20 530526.30 273053.10 339031.20 66628.71 199303.70 186395.50 64717.50 175807.00 117902.50 346147.50 272059.30 928668.90 383703.50 670284.10 689111.20 160301.60 3409902.00 198154.80 159257.20 658692.60 222245.90 72627.27 375393.30 58917.93 198936.80 117913.40 943492.10 186019.20 586275.70 93944.43 92330.24 103275.30 172750.20 320308.50 66867.20 468059.00 361427.00 56101.73 456964.70 472589.70 88027.87 507455.10 564829.60 265357.80 162142.50 64690.24 341262.80 180866.40 282431.00 113170.60 302932.90 219348.50 186168.80 135339.70 462353.90 163652.30 299930.00 242843.80 210486.50 2704749.00 120355.10 1681276.00 161243.20 407552.90 196883.70 133454.80 506717.50 225234.90 271009.50 1141664.00 227740.90 214096.50 563989.50 308744.00 133287.20 546952.10 393515.10 566109.90 178693.50 352781.10 517607.50 753160.00 816264.60 247219.90 159633.90 778138.70 286722.70 230580.20 635392.10 1052966.00 717018.10 561142.10 436465.20 59163.52 94424.88 140956.50 289760.30 232139.20 417467.40 283007.10 269436.30 51645.55 189103.90 206271.90 193307.70 230903.00 242588.00 447755.40 240080.40 1160938.00 2460754.00 354385.40 286234.40 74048.47 1037774.00 Glycochenodeoxycholate 4536382.00 1433491.00 1553934.00 4329594.00 768539.20 6273506.00 1676673.00 7042838.00 2134195.00 1505389.00 3930584.00 6463852.00 1766516.00 5143692.00 4059229.00 1041268.00 3651814.00 3629359.00 2141100.00 865826.80 1584988.00 2471190.00 2615383.00 1005477.00 3585779.00 2571453.00 1566250.00 6416520.00 3078157.00 2664706.00 13864480.00 8341748.00 3483316.00 1475084.00 3969043.00 458925.00 2298544.00 3566203.00 444348.80 877635.30 1831503.00 2476186.00 3905241.00 1944154.00 4116760.00 3364899.00 1454238.00 3645125.00 3923810.00 2240604.00 2721017.00 1803715.00 6491624.00 3116395.00 1986330.00 1609544.00 385534.50 1465996.00 963751.70 981163.40 1209624.00 14278140.00 4788286.00 2319359.00 690545.40 632794.40 1356000.00 3936593.00 1659690.00 993360.20 2047974.00 11189920.00 3156033.00 1780162.00 1522990.00 2650888.00 8810835.00 1059390.00 6316150.00 2741548.00 4397644.00 2182076.00 3795969.00 1940260.00 2138653.00 707230.60 3044837.00 2951523.00 1465204.00 1778276.00 5445223.00 3409741.00 5434220.00 3704414.00 2392643.00 3387419.00 5871186.00 4142571.00 1052716.00 742924.00 1037130.00 5897132.00 2445734.00 2008058.00 5880858.00 7470540.00 3267789.00 2879637.00 1632449.00 2049554.00 4441140.00 2514665.00 985561.50 2929952.00 2191115.00 13573100.00 1722349.00 1930889.00 616794.40 332070.90 364691.90 2691778.00 2520249.00 10708060.00 7439518.00 4500014.00 3622301.00 2498578.00 2351589.00 Glycocholate 420212.10 163757.50 381281.70 593401.70 144132.90 697317.70 161219.70 1558512.00 834746.90 192496.30 637173.80 1133368.00 176475.70 422936.70 414209.20 120376.80 265802.60 833683.20 281344.30 170859.10 269687.20 401610.90 317611.80 250148.90 553372.80 181088.90 485427.40 925128.30 410061.30 529119.40 2474270.00 2021730.00 703074.60 304596.80 693728.40 258494.00 158033.50 776953.60 41436.21 120143.50 139070.60 411686.50 432693.80 252036.30 440353.70 819670.70 364598.50 515914.10 463305.90 364585.60 215827.90 313426.60 820853.20 1032216.00 418433.90 165540.70 35112.02 213875.20 113560.70 175804.10 197213.20 2089718.00 442217.30 288959.20 80179.18 90111.81 148148.70 944390.00 167598.60 174025.90 232501.80 18261500.00 873533.20 261543.90 159029.20 302784.70 1340874.00 204451.90 1103048.00 136953.10 1331424.00 695917.10 1123170.00 301747.30 328867.00 84969.87 557677.90 470777.60 148760.00 252131.60 786721.30 310105.20 1251514.00 1182871.00 384787.60 301020.10 1004125.00 916469.50 244468.40 47419.45 161015.60 560545.80 264026.40 232634.70 776989.70 1120457.00 910696.00 227080.50 206691.30 363618.20 818137.70 309883.10 131161.50 814308.80 201660.80 903052.20 371482.20 346940.40 291427.60 88407.03 47975.48 69518.20 201988.50 811525.90 485991.50 337988.60 428832.20 676678.20 271502.20 Taurodeoxycholate 486956.80 215276.60 297682.40 507022.70 109557.30 1255913.00 149858.70 1785212.00 338045.40 1100940.00 430904.60 920319.20 1103757.00 229539.10 1144863.00 207846.10 666250.80 2465900.00 813786.10 184754.20 199655.90 200430.40 350490.30 160551.40 311026.80 186180.00 207028.80 676751.20 716881.30 533909.20 1249859.00 986836.70 818051.90 399797.00 590637.20 146701.10 152752.80 376952.30 79569.82 54595.77 112138.10 399356.10 599135.30 358704.00 342201.50 489896.70 221477.50 332663.80 1828357.00 146747.60 207755.70 305613.20 535198.00 487626.00 159955.10 176856.10 56351.19 77822.54 105294.10 169719.50 138767.80 502876.20 403802.60 379461.30 52935.84 31751.91 242810.90 2833907.00 62444.58 55377.36 171422.60 969034.80 761593.70 177559.80 130020.60 462353.00 391741.80 269028.40 2144962.00 811134.50 339644.20 208817.50 553451.20 121978.00 130498.60 78360.38 506176.30 826956.60 235808.80 170954.50 701531.10 845436.10 719357.20 219368.50 144356.90 261187.30 582508.80 957139.40 103028.90 30489.35 197779.90 572126.20 138828.60 159469.20 713915.80 895714.80 940665.70 289145.40 188561.10 1207777.00 1001687.00 419372.90 71900.67 559978.60 74914.82 4006336.00 154523.80 212345.40 73556.07 7011.27 21133.12 143438.60 157958.90 676875.80 448226.80 237158.10 455467.10 444237.20 355150.30 Taurocholate 55187.52 25300.45 102432.40 76456.21 17793.34 132626.00 15304.26 385306.70 134862.30 166797.50 82574.52 136398.00 149907.10 29350.49 115300.30 14785.44 55579.11 496525.00 72528.46 27769.81 29330.97 24535.63 49567.49 73165.26 35315.27 15821.46 133196.40 107054.70 84250.41 74003.75 313483.00 201876.10 144238.50 108500.70 94155.07 44352.96 18094.10 85367.19 10465.21 3219.40 5177.76 62005.20 76985.32 36590.89 33822.61 110917.60 108044.40 50037.30 209206.10 23333.88 12039.00 33238.14 65764.01 210254.70 51592.86 13359.97 5622.41 20586.99 15366.34 89505.01 18525.31 116811.70 52410.75 63556.70 10635.94 0.00 38092.36 597947.00 3543.20 8657.68 25421.95 1742867.00 318520.00 34465.36 10972.45 60729.83 46808.66 43012.59 381915.10 55876.64 124376.40 41793.49 158961.20 35096.77 23769.59 6474.27 74230.23 68575.13 24930.18 44671.27 109664.40 88359.28 203759.20 80947.73 39846.58 55605.20 123699.90 193618.10 24132.63 0.00 24063.41 49820.86 26370.51 18629.21 122377.60 176201.40 353592.20 28193.50 32468.95 189499.90 134425.70 79672.96 22095.92 190666.60 11048.41 534947.80 42473.62 42797.79 20005.61 2486.92 0.00 11206.17 11431.77 70334.91 38286.09 35139.34 52507.55 167580.80 49672.79 13(S)-HODE 228138.20 258043.00 213851.20 223304.60 117739.40 683088.20 349672.00 235423.80 344975.50 288818.70 829713.10 685850.10 3877955.00 828683.00 1447940.00 659109.20 1094822.00 380081.10 491675.80 252975.90 275565.00 232233.60 251284.70 308360.80 175365.80 328056.60 662910.80 356374.60 125695.00 270888.40 348083.00 632111.40 242725.10 396902.60 324991.70 121181.00 589458.10 176010.90 130440.70 206876.60 171862.60 101602.90 332411.30 117975.30 452070.20 314209.10 228892.90 287720.10 975168.50 260786.80 620061.80 279988.90 95444.35 237731.50 184186.90 143232.80 236859.50 295031.50 310791.80 485002.80 965941.60 222547.50 185984.20 300426.90 270856.30 243048.80 125095.40 393650.60 207074.00 255456.80 411631.30 363142.40 778465.90 165972.20 236486.20 429104.30 438407.00 3039127.00 303535.60 431017.50 2419504.00 303905.20 133844.60 183147.50 293925.70 340866.10 133423.30 319966.80 698784.90 150747.60 392131.10 267390.50 232933.90 377262.00 246398.20 587795.40 772087.60 183628.30 515223.10 259550.60 551398.70 741427.70 475265.80 387673.40 453217.00 154318.80 155259.00 217291.40 274707.40 416558.60 120156.90 175412.40 209315.80 332122.60 179166.50 154395.90 354946.80 267570.10 708629.00 184014.40 201698.00 1482768.00 155372.70 293762.10 601767.10 239555.30 321868.40 632377.70 223459.50 11(R)-HPETE 60824.54 153938.90 306995.70 58713.25 119743.60 145653.00 33930.36 154354.50 334140.70 186635.30 218908.10 141809.40 143073.00 162587.40 241698.80 483358.10 163864.10 155826.20 54030.43 104855.20 78517.41 185650.20 266623.30 133375.10 87687.09 123600.30 98519.10 248413.10 61108.67 309910.60 578656.90 110507.70 271838.80 485826.20 68824.88 122577.60 262699.20 60052.92 245131.80 28154.16 304785.80 147139.10 57574.36 99997.37 244431.90 57897.27 341144.80 218105.40 99053.96 481574.60 403842.80 353169.60 92148.23 179331.00 131880.00 164823.80 339128.80 202540.70 266986.90 124740.10 183514.20 126544.20 66070.84 320292.60 407738.30 323528.70 274462.70 20582.44 139634.10 376131.00 91112.59 137885.30 355953.90 58185.29 80292.54 547994.00 53219.93 196322.70 34957.77 97561.81 120727.30 141342.50 113528.00 252618.90 382309.50 242307.70 181925.50 15244.30 311967.20 96421.90 56329.04 69294.98 89949.18 347325.80 84253.62 474215.50 370191.50 230612.40 106352.60 271335.60 443707.60 174184.90 52476.48 437325.60 278149.30 213810.90 234122.10 150877.80 109643.50 419923.40 176746.70 79886.07 239057.10 38614.36 217227.60 248765.10 623387.80 503231.70 200230.70 219219.20 83051.89 250673.30 129693.90 93266.54 446708.90 148628.60 255618.00 177977.80 166221.00 Prostaglandin A2 595502.90 226868.40 635568.70 696919.80 1633304.00 59056.05 402377.70 704384.80 94425.43 32781.72 333920.70 2759958.00 75012.47 78893.35 1501658.00 950247.20 82025.09 174603.10 790237.70 3124565.00 47030.06 408369.00 412066.00 67990.05 78685.46 86579.41 48642.91 268134.80 838883.30 166742.50 269333.10 106981.20 575186.20 256108.20 898294.00 56537.64 1310797.00 65662.20 105608.40 483963.30 83301.38 51407.01 4436736.00 229127.50 320470.70 215062.60 677469.20 946400.50 756026.80 416753.20 1035242.00 429723.80 36282.25 487015.60 58542.86 86225.77 62372.70 25175.88 419975.80 20227.29 97426.71 906726.30 553042.30 179014.80 41037.46 255948.80 202441.00 42698.04 247989.80 156278.80 73260.55 20548.54 1177399.00 40296.50 176178.90 63517.11 61575.78 3046001.00 1035500.00 625586.40 334407.10 757758.90 329676.00 75485.68 34266.55 1406713.00 49574.90 22723.00 706031.30 156030.50 1094753.00 9659083.00 49356.09 865662.00 41737.46 2470878.00 289885.90 43102.94 453451.80 58132.70 505837.50 1448437.00 28289.70 1302561.00 2246285.00 54100.28 1153322.00 43396.32 1178547.00 1248352.00 50102.72 44342.90 21804.24 53038.68 366615.20 117138.20 67874.12 40829.59 37044.99 38099.23 93318.41 53660.75 71879.58 42272.84 43546.14 214051.40 53244.07 1221935.00 1674229.00 Prostaglandin D2 596619.60 163746.80 113384.50 272933.00 81419.00 75852.79 135863.70 159436.20 411189.80 74098.12 76296.00 142632.00 123735.70 104775.70 244074.80 126677.60 137548.30 159936.00 99284.85 321738.50 259493.30 167658.80 166826.40 174423.30 141419.30 277557.60 163695.40 144812.00 107810.60 156127.70 501082.20 219950.50 274565.20 105289.20 248061.80 65031.61 120614.00 146265.10 149642.70 116822.00 240811.60 180393.70 206979.50 154050.80 230972.40 99179.03 54357.19 154169.40 182925.90 425438.10 222094.40 109224.00 116572.90 310312.70 179230.50 130072.70 128451.20 425650.40 111262.70 75785.61 122438.00 187062.10 163703.00 157615.80 57241.50 91555.48 168465.20 148396.80 200272.80 150919.90 374748.80 347761.60 91014.21 50301.96 198331.10 222950.80 196885.20 263304.50 115830.00 488043.50 331347.40 252757.10 181712.40 60400.14 150825.10 495142.30 115576.20 131760.40 120078.10 372466.30 199136.30 356137.00 93866.51 62911.50 135905.00 269478.80 54245.21 143147.70 72521.09 165953.80 217456.70 145331.10 130075.20 348979.50 140106.90 131171.00 104709.70 121470.40 240202.90 93617.71 70836.92 101679.90 96904.01 355818.00 81400.34 149915.10 171108.00 287280.60 76126.71 139046.90 144413.60 93375.59 288297.10 141868.10 200069.40 253898.40 145742.00 226381.70 358061.40 Prostaglandin D3 118307.80 362968.30 504634.20 94826.35 188625.40 226562.00 52642.19 230447.00 924914.40 348969.80 316786.60 220529.00 224136.00 325435.80 545793.90 1354302.00 275524.90 282948.10 80462.37 127276.70 135278.00 310656.30 341897.60 199586.20 106114.40 180977.80 138491.40 431547.00 105641.50 478255.20 1225617.00 151321.50 485616.10 982634.80 74836.62 236101.40 597864.60 102671.40 470743.60 60546.80 531721.00 283898.20 89415.31 217954.70 480719.90 70285.66 597719.00 334404.80 147546.00 1048269.00 785720.30 668198.20 146366.30 382020.50 217052.20 239515.40 748957.90 342463.90 478054.30 180465.60 330364.50 183092.30 104524.00 880412.00 692982.30 862952.50 568243.20 34925.86 239319.00 736021.20 152303.50 249691.20 610346.70 63916.97 147338.50 1282535.00 72374.48 305617.00 41007.51 178653.60 171260.90 191735.20 142683.00 471312.80 487262.50 410558.40 249983.70 14652.52 578905.90 151967.30 85934.00 120072.80 252994.60 686361.10 154045.60 971538.00 746755.70 337312.40 173189.50 626040.10 739085.20 289953.70 83568.61 747027.40 461419.10 448169.70 377157.70 213483.70 236133.30 1000254.00 338283.40 110051.80 383900.00 67848.31 662562.80 448331.70 1212465.00 964108.20 495706.80 324772.00 166865.40 553412.90 257822.10 174057.10 736424.80 219139.00 561407.10 283788.60 287850.30 Prostaglandin G2 808149.30 557025.50 325541.20 205460.80 196538.60 153475.50 544110.80 171305.30 677682.90 166096.10 145832.00 488592.20 279840.70 315038.70 408834.60 285857.40 160056.70 282734.80 268345.40 484503.20 1471540.00 659406.70 333086.00 508441.50 303527.60 2494666.00 641851.60 449555.00 205650.20 530030.10 511092.20 279357.80 405269.90 207550.30 311765.80 133421.00 203224.00 192183.20 186823.40 384504.20 385290.40 323553.80 306831.30 438939.50 752998.50 364367.40 81519.79 346369.90 1180887.00 539029.30 392647.40 118548.60 223141.40 225527.80 983001.10 208326.90 176821.60 438575.20 702066.30 237326.60 320995.60 260073.00 160053.80 208531.10 111738.40 365682.40 369740.70 291517.70 403311.80 575787.70 1849161.00 812556.20 461783.90 159572.30 436537.60 350565.70 265751.10 613644.20 266573.60 1015681.00 304112.30 360774.40 175028.70 122267.00 153700.50 571386.90 447111.80 234202.00 400086.20 119870.30 217089.40 409045.30 140647.60 186924.20 175948.90 481400.20 159691.40 555358.80 126797.10 106828.60 197686.10 661461.40 399628.50 377776.50 224861.10 226351.00 507316.70 649220.10 643025.50 164199.00 103456.20 152894.40 167581.20 2365205.00 413693.30 264317.60 541291.90 272829.70 126297.20 240436.70 913565.40 123044.60 194659.10 171888.20 416301.30 272069.00 274185.50 488998.60 195945.80 Leukotriene A4 98696.15 179860.20 378301.20 177069.10 114462.60 543451.80 51388.06 242490.40 820606.70 207275.80 587678.10 290385.50 639607.10 517871.60 519331.70 1753382.00 285056.90 179429.20 82899.50 184451.00 405872.90 301855.20 584168.80 481683.70 191435.40 411660.00 415265.90 262814.60 95938.44 540878.60 2342538.00 116215.80 475877.70 1375933.00 265352.00 211168.80 578724.80 65727.34 479502.10 95717.93 595627.10 370695.20 203989.30 151014.50 482692.60 166935.70 610504.70 493925.50 199306.10 1075196.00 1070094.00 597312.40 148401.50 361838.90 83887.73 115693.70 676210.40 165853.60 336856.70 110555.80 322121.80 185401.20 78493.18 1022998.00 398206.20 858184.30 315957.10 30072.70 154071.50 547895.50 123630.80 161948.70 567895.80 76933.22 127566.80 1601939.00 114230.50 265600.80 86902.12 201362.10 147351.10 126285.30 152600.60 378253.20 454683.40 389358.80 121520.20 28279.22 443992.60 127629.80 58773.44 124078.20 170411.00 799876.60 271917.20 1857870.00 630627.80 212859.90 165885.20 745264.20 619451.40 1150000.00 116664.30 1422104.00 538456.20 245177.80 179118.60 164929.60 160669.00 1151012.00 179167.00 71912.85 290907.50 310146.90 577353.00 562947.00 894784.20 1341707.00 153347.00 246148.70 364857.90 341831.20 238796.20 347523.10 713483.80 123940.80 549723.90 620392.90 329431.80 Biliverdin 49761.98 129859.20 80430.21 44983.59 58347.52 32155.57 43709.04 60608.00 30788.28 65283.48 312733.80 36297.12 58002.66 324312.80 75169.47 190199.90 81820.89 91119.48 283300.00 13138.70 275954.20 92114.90 68145.32 58911.46 309708.80 233384.80 85346.65 212458.50 58458.36 73721.09 590588.00 59387.84 63735.79 211208.60 188430.00 179251.50 206802.50 110872.40 66997.53 73896.63 294083.80 126214.50 113963.20 98647.34 40508.80 99123.34 129711.40 232480.70 58833.41 61120.77 70074.59 641334.10 203108.90 99060.99 136529.20 61471.55 144507.00 39635.74 77170.05 190212.20 73046.05 67987.68 98015.18 165440.00 110451.20 536041.20 74884.88 75532.16 100451.00 55277.21 123861.30 80099.38 63026.71 55036.28 51219.43 84181.09 37238.03 85756.76 101636.10 27924.47 307374.60 95645.20 118473.60 272716.90 87677.54 90576.53 76186.26 62698.83 252343.90 87666.48 237133.90 53964.56 151921.10 117134.80 61879.99 62095.02 134088.10 169744.50 50329.33 108552.10 240177.50 60136.54 182617.50 259325.90 98477.97 203743.40 77667.73 69685.42 55172.22 65075.47 191293.70 160488.00 42623.44 22479.38 97011.04 54929.20 185694.30 63355.78 101868.40 469927.50 576498.20 133212.70 124574.40 251503.70 258337.20 53550.19 182062.40 193382.20 239715.10 2-Methyleneglutarate 2675433.00 3072107.00 3720324.00 2168263.00 3807814.00 3099933.00 2064797.00 3030362.00 3485706.00 3986917.00 2671044.00 2373243.00 2926358.00 3224321.00 4013598.00 3136877.00 2980496.00 3890276.00 1828939.00 3822045.00 4385312.00 3189862.00 4422952.00 3248232.00 2853776.00 3314990.00 3148840.00 3949531.00 2054004.00 3039748.00 3157563.00 3170587.00 4771363.00 4087138.00 3970976.00 3258595.00 3125922.00 3537078.00 5832856.00 3514959.00 3700179.00 2540143.00 2914099.00 6084626.00 3510692.00 3205209.00 4037175.00 4130167.00 2911928.00 4027319.00 2904030.00 3500281.00 4241740.00 3036076.00 3072008.00 3200112.00 3406197.00 4017783.00 3612482.00 2785310.00 3087995.00 1890934.00 2371124.00 2921121.00 4384880.00 3704964.00 3890768.00 3651480.00 2637202.00 4410006.00 2904326.00 3841283.00 3247084.00 4666214.00 4023148.00 4052054.00 2362634.00 2838628.00 2288038.00 4181833.00 1637609.00 3647113.00 3586198.00 3899756.00 2377101.00 2733292.00 3070623.00 2243285.00 3032658.00 3539188.00 2981056.00 1941939.00 2629391.00 3983871.00 3842193.00 3506279.00 4350414.00 4182268.00 2742212.00 4412013.00 3489778.00 2774171.00 2758037.00 2922085.00 2534735.00 2926881.00 2601870.00 3440100.00 2897886.00 2697573.00 2739345.00 2472434.00 2778282.00 2994484.00 3537420.00 2953905.00 3356734.00 2958430.00 2896134.00 3271949.00 2917921.00 3357934.00 2713490.00 2209394.00 2741140.00 3161375.00 3788125.00 2357811.00 3002604.00 N-Acetyl-leucyl-leucine 8762.00 22595.32 34127.85 64455.01 11495.64 30019.71 13637.69 17862.21 26887.84 8166.00 41589.30 13165.86 24662.87 10556.69 24420.98 8146.87 48290.50 36988.55 60627.62 75136.30 20574.99 32154.94 21035.16 54426.08 20877.98 45876.13 14205.28 8616.76 5887.78 10168.94 180758.70 38932.04 6861.77 10175.46 14791.18 14830.54 11926.44 16483.53 70154.21 16108.91 59448.70 8525.17 33637.52 20550.73 13192.32 6595.27 37835.53 46388.14 22420.24 22098.52 15346.85 20137.31 39792.09 10332.83 28781.37 66945.66 24080.11 30249.19 43043.56 12622.92 13405.29 9574.13 19353.57 15529.78 49841.15 29864.26 39774.50 123062.60 12233.26 46771.20 13630.98 64789.62 10161.08 37571.88 19287.10 8349.85 50768.84 22928.29 153281.50 35590.93 11517.42 106278.80 23162.82 30560.17 22183.30 11453.64 10436.74 62702.69 162027.60 8576.52 133743.00 11474.94 77601.25 7662.51 19848.92 62176.97 7114.02 34978.77 12770.04 12285.42 14267.06 18841.29 27714.99 19515.01 16817.95 24135.90 42118.59 41685.82 24895.47 222748.60 74817.97 20630.49 16327.02 158082.80 11619.87 10454.93 12846.72 42633.62 36298.05 27805.05 52353.44 29069.23 6432.44 26052.42 27437.78 8837.07 18401.75 3203.15 32186.13 D-glucono-1,5-lactone 239535.90 478854.20 356613.80 332700.80 306664.80 332619.20 294080.10 426192.00 360989.20 332686.60 347079.30 531047.10 779046.40 408204.40 440909.20 262644.80 325834.30 423232.30 307579.50 401028.50 476542.80 349205.50 356612.90 293687.70 490397.30 348526.40 429886.50 359096.20 367404.10 526377.20 394253.50 350278.90 428398.40 324166.60 500760.20 283317.60 528463.10 357232.10 349734.70 490444.00 382033.20 561325.00 467235.60 665761.50 238514.60 266076.10 446266.00 347378.20 278246.80 431108.50 810962.40 701280.70 463360.20 574631.00 372349.50 282481.20 359616.00 441501.10 422193.60 323325.70 452855.20 320811.90 382927.60 286972.00 349573.50 329800.30 744551.50 361825.80 460813.90 407888.40 464429.90 552791.80 569749.80 356862.40 590142.20 481745.10 527203.60 462135.50 782371.80 734337.60 752831.20 385801.90 417852.40 496405.30 452802.80 573152.90 648842.30 353804.70 388750.70 551952.60 345891.60 593090.30 632271.60 449519.20 638478.50 508136.40 514971.40 422972.00 405611.00 422048.10 363915.40 585577.40 470052.80 262418.90 397148.00 468434.40 298075.30 309205.70 431309.50 1021759.00 351309.00 418970.70 516049.90 393163.50 556143.50 246604.70 452307.20 343425.60 379715.90 351103.50 479709.10 366110.70 660629.40 807588.00 708837.80 478880.30 287657.10 455446.00 348288.80 Catechin 1083404.00 1343083.00 1215057.00 1442152.00 1612398.00 1402426.00 967986.20 1191993.00 1054132.00 1217472.00 1533185.00 1190446.00 1362016.00 1092936.00 1262077.00 1307487.00 1702820.00 1168261.00 1157172.00 1259898.00 1170908.00 890662.30 1528190.00 1607647.00 1267034.00 1282523.00 974850.80 1217521.00 1365135.00 1423892.00 1161170.00 1273562.00 1562569.00 1419844.00 1139789.00 1263011.00 1901141.00 1171380.00 989383.20 1072004.00 1089510.00 1163659.00 1144128.00 961273.60 1361948.00 1429868.00 1153955.00 1154467.00 1440583.00 1718328.00 1581052.00 1131487.00 1342535.00 1197997.00 1004026.00 1284313.00 1253122.00 1128363.00 1255910.00 1169433.00 1013639.00 1165653.00 1112178.00 1450668.00 1266087.00 1176775.00 1193195.00 1300238.00 1268666.00 1084869.00 1283231.00 1064982.00 1182553.00 1258407.00 1214900.00 1175140.00 1184950.00 1186912.00 1551303.00 1379019.00 1674642.00 1397984.00 1053619.00 1249677.00 1052488.00 1227078.00 1013509.00 1300004.00 1237638.00 1469889.00 961895.50 1304818.00 1484682.00 954700.90 1219654.00 1305245.00 1350136.00 1361128.00 1128567.00 1351003.00 1335940.00 1299999.00 1866132.00 1296196.00 1745262.00 1361771.00 1448837.00 1269664.00 1422496.00 1333243.00 1378363.00 1401221.00 1335906.00 1065190.00 1126018.00 1386078.00 1377813.00 1318075.00 1170557.00 1406163.00 1153963.00 1345276.00 1704342.00 1070177.00 1446905.00 1250360.00 962265.40 1047093.00 1288633.00 Fe(III)dicitrate 63726.53 73027.15 95366.25 43756.06 285223.90 418826.50 410652.00 450495.90 354754.20 409906.80 564687.90 533596.30 484443.00 334785.30 547290.20 484265.20 505757.30 414453.80 409541.10 305756.80 709388.70 607143.60 557855.80 383770.20 397886.70 535661.20 451190.00 562041.70 737295.00 433760.80 609685.60 540371.10 542761.40 707539.90 885651.80 490602.00 515583.00 707788.20 642913.10 496255.10 572936.80 459240.40 531542.80 451690.20 322324.50 378570.30 330373.80 686154.10 681250.90 492511.50 415870.20 287189.90 470513.20 683528.60 481439.80 284080.20 489103.70 357526.00 306586.00 425457.00 719092.70 388912.00 288256.70 592557.70 277705.30 514387.80 408208.50 467606.50 461776.20 531894.60 466790.80 386722.00 531051.50 284987.60 706581.20 599519.70 273934.90 489431.10 466062.20 481858.80 447287.40 354481.20 526704.40 792117.80 521977.50 570019.90 509568.40 550970.20 277289.10 488825.60 592294.90 504578.80 469020.30 574796.10 442056.90 624939.40 587121.60 368846.90 103781.40 526180.30 377093.10 652797.70 441431.30 346539.10 600991.80 625158.20 355659.40 509891.10 594147.40 375389.70 449833.00 390626.30 556957.40 355545.50 528458.40 388268.80 665392.10 386486.00 396630.50 429323.30 359697.20 465112.30 388309.90 669935.80 579980.10 402979.20 678662.20 342438.10 378875.80 Vanillate 125537.10 125414.90 114363.30 0.00 197515.10 102204.50 88831.65 137257.50 264329.10 100012.10 0.00 113070.70 397796.90 81311.49 204176.20 115630.60 88282.57 36602.64 102855.20 174088.60 51442.04 32277.59 38567.68 212120.80 102751.70 0.00 266045.40 227088.70 752977.80 132775.00 48627.17 106452.40 67283.48 147064.80 299570.30 43754.55 331763.80 37289.85 180038.30 73680.15 413448.10 98831.22 343150.50 123290.50 138005.30 55217.67 159969.80 252114.20 112841.10 306972.50 70802.50 137788.80 56366.08 94771.32 162239.70 26436.37 33999.14 153635.20 151210.80 94000.10 81681.22 67896.28 109090.40 858167.00 0.00 59648.67 49430.14 25637.72 98413.88 24594.02 123681.20 80264.46 140876.00 212694.10 23491.34 0.00 0.00 151798.60 307672.90 261928.50 184819.00 210257.90 92995.66 81916.06 78835.09 72497.48 39992.48 219182.20 134316.60 253505.50 292317.20 435986.80 27694.39 713360.90 51724.61 229454.10 179865.90 0.00 192786.20 208247.60 43264.36 69336.16 411102.00 135496.70 116028.10 75743.84 253475.30 39362.32 21708.81 487670.60 68360.46 198552.40 74648.22 364713.00 140491.30 31968.33 52044.52 21130.30 607378.20 36598.81 0.00 33829.80 32405.21 216379.20 91946.34 109399.30 152281.70 136633.00 122563.10 10-Hydroxydecanoic acid 383686.60 826027.20 596038.60 284863.90 275843.20 889673.70 400885.50 627232.20 588107.50 367129.20 1663047.00 742811.60 1143516.00 1214733.00 833161.40 1204109.00 673510.60 673962.10 625070.10 666884.80 1677923.00 575489.00 725670.00 324249.00 552217.40 756695.10 397528.30 922675.80 425644.10 1217234.00 1426984.00 346109.80 466478.40 889632.90 1205330.00 636071.30 687813.90 332651.50 591861.80 635001.50 1760026.00 612055.70 925905.00 547330.30 765416.60 503405.80 905837.50 523940.30 1053950.00 1071886.00 1024536.00 1714325.00 330246.00 564362.30 323139.70 392422.80 860057.90 379896.60 619275.80 507340.40 879854.80 447160.70 480939.50 1297099.00 458763.70 889626.80 496767.40 421152.00 421469.10 615119.70 314096.40 741104.40 997693.80 295038.90 464982.50 2094700.00 837565.60 476278.30 536053.70 304136.00 426853.60 820502.30 1108793.00 826349.70 530452.00 752518.00 760843.70 242613.50 1234287.00 600459.40 254336.60 566243.90 507663.40 917665.20 328677.40 1888106.00 595054.00 499654.40 364176.30 4137602.00 1065225.00 1002709.00 385502.80 848677.20 1412931.00 503096.20 391096.10 365600.80 353991.20 1198092.00 512830.70 298108.80 436798.50 732603.70 977423.20 3185405.00 1363598.00 874146.50 459824.20 518566.90 371353.50 682521.20 678792.10 846954.70 779716.10 581385.70 1277327.00 835874.30 1021481.00 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name KEGG ID quantitated m/z medRt Allantoin C02350 157.0359 0.670 Urate C00366 167.0205 0.647 3',5'-Cyclic IMP C00943 329.0313 0.517 Phosphate C00009 96.96851 0.637 Diphosphate C00013 176.9355 0.633 D-Glucose C00031 179.056 0.664 D-Glyceraldehyde 3-phosphate C00118 168.9888 1.712 Pyruvate C00022 87.00754 0.654 Lactate C01432 89.02319 0.650 Mannitol C00392 181.071 0.674 D-Ribose C00121 149.0449 0.642 D-Rhamnose C01684 163.0606 0.676 D-Arabitol C01904 151.0606 0.676 Citrate C00158 191.0195 0.592 2-Oxoglutarate C00026 145.0136 0.603 2-Oxoglutaramate C00940 144.0293 0.641 Succinate C00042 117.0183 0.612 Malate C00149 133.0135 0.611 2-Hydroxyglutarate C02630 147.0292 0.632 Dehydroascorbate C05422 173.0085 0.597 gamma-L-Glutamyl-D-alanine C03738 217.0835 0.615 (5-L-Glutamyl)-L-glutamine C05283 274.1055 0.626 N-Acetylneuraminate C00270 308.0996 0.639 4-Acetamidobutanoate C02946 144.0658 0.663 trans-4-Hydroxy-L-proline C01157 130.05 0.656 3-Sulfocatechol C06336 188.9863 0.674 Indole-3-acetaldehyde C00637 158.0605 1.910 Indolepyruvate C00331 202.0495 0.677 L-Tryptophanamide C00977 202.0957 0.572 Ethanolamine phosphate C00346 140.0113 0.645 Pentanoate C00803 101.0596 0.676 Hexanoic acid C01585 115.0753 1.712 Heptanoic acid C17714 129.0911 1.821 Octanoic acid C06423 143.1071 1.929 Nonanoic acid C01601 157.1229 2.030 Decanoic acid C01571 171.1387 2.161 Dodecanoic acid C02679 199.17 2.397 Tetradecanoic acid C06424 227.2016 2.655 Hexadecanoic acid C00249 255.234 3.026 Octadecanoic acid C01530 283.2655 3.565 Tetradecenoic acid C08322 225.186 2.439 Hexadecenoic acid C08362 253.2184 2.693 Octadecenoic acid C00712 281.2498 3.067 Linoleic acid C01595 279.2341 2.753 a-Linolenic acid C06427 277.2184 2.550 Arachidonic acid C00219 303.2343 2.660 Dodecanedioic acid C02678 229.1447 1.720 Adrenic acid C16527 331.2656 2.921 Dihomo-gamma-linolenic acid C03242 305.2499 2.832 Docosapentaenoic acid C16513 329.25 2.686 Undecanoic acid C17715 185.1543 2.276 Ursodeoxycholate C07880 391.2892 1.963 Glycochenodeoxycholate C05466 448.3086 1.785 Glycocholate C01921 464.3039 1.761 Taurodeoxycholate C05463 498.2918 1.784 Taurocholate C05122 514.285 1.762 13(S)-HODE C14762 295.229 2.231 11(R)-HPETE C14820 335.2223 2.693 Prostaglandin A2 C05953 333.2093 1.944 Prostaglandin D2 C00696 351.2223 1.970 Prostaglandin D3 C13802 349.2067 2.694 Prostaglandin G2 C05956 367.2159 1.935 Leukotriene A4 C00909 317.2082 2.752 Biliverdin C00500 581.2423 1.792 2-Methyleneglutarate C02930 143.0341 0.663 N-Acetyl-leucyl-leucine C11333 285.1833 1.749 D-glucono-1,5-lactone C00198 177.0402 0.646 Catechin C17590 289.069 0.570 Fe(III)dicitrate C06229 389.0964 2.410 Vanillate C06672 167.0346 0.673 10-Hydroxydecanoic acid C02774 187.1335 1.779 METABOLITES_END #END