#METABOLOMICS WORKBENCH nmatulionis_20230925_123530 DATATRACK_ID:4332 STUDY_ID:ST002878 ANALYSIS_ID:AN004715 PROJECT_ID:PR001761 VERSION 1 CREATED_ON September 25, 2023, 3:20 pm #PROJECT PR:PROJECT_TITLE Atlas of fetal metabolism during mid-to-late gestation and diabetic pregnancy PR:PROJECT_SUMMARY Mounting evidence supports an instructive role for metabolism in stem cell fate PR:PROJECT_SUMMARY decisions. However, much is yet unknown about how fetal metabolism changes PR:PROJECT_SUMMARY during mammalian development and how altered maternal metabolism shapes fetal PR:PROJECT_SUMMARY metabolism. Here, we present a descriptive atlas of in vivo fetal murine PR:PROJECT_SUMMARY metabolism during mid-to-late gestation in normal and diabetic pregnancy. Using PR:PROJECT_SUMMARY 13C-glucose and LC-MS, we profiled the metabolism of fetal brains, hearts, PR:PROJECT_SUMMARY livers, and placentas harvested from pregnant dams between embryonic days PR:PROJECT_SUMMARY (E)10.5 and 18.5. Comparative analysis of our large metabolomics dataset PR:PROJECT_SUMMARY revealed metabolic features specific to fetal tissues developed under a PR:PROJECT_SUMMARY hyperglycemic environment as well as metabolic signatures that may denote PR:PROJECT_SUMMARY developmental transitions during euglycemic development. We observed sorbitol PR:PROJECT_SUMMARY accumulation in fetal tissues and altered neurotransmitter levels in fetal PR:PROJECT_SUMMARY brains isolated from dams with maternal hyperglycemia. Tracing 13C-glucose PR:PROJECT_SUMMARY revealed disparate nutrient sourcing in fetuses depending on maternal glycemic PR:PROJECT_SUMMARY states. Regardless of glycemic state, histidine-derived metabolites accumulated PR:PROJECT_SUMMARY during late development in fetal tissues and maternal plasma. Our rich dataset PR:PROJECT_SUMMARY presents a comprehensive overview of in vivo fetal tissue metabolism and PR:PROJECT_SUMMARY alterations occurring as a result of maternal hyperglycemia. PR:INSTITUTE University of California, Los Angeles PR:DEPARTMENT Biological Chemistry PR:LABORATORY Heather Christofk PR:LAST_NAME Matulionis PR:FIRST_NAME Nedas PR:ADDRESS 615 Charles E Young Drive South Los Angeles, CA, 90095 PR:EMAIL nmatulionis@mednet.ucla.edu PR:PHONE 3102060163 #STUDY ST:STUDY_TITLE Atlas of fetal metabolism during mid-to-late gestation and diabetic pregnancy. ST:STUDY_TITLE Dynamic Labelling experiment. ST:STUDY_SUMMARY Mounting evidence supports an instructive role for metabolism in stem cell fate ST:STUDY_SUMMARY decisions. However, much is yet unknown about how fetal metabolism changes ST:STUDY_SUMMARY during mammalian development and how altered maternal metabolism shapes fetal ST:STUDY_SUMMARY metabolism. Here, we present a descriptive atlas of in vivo fetal murine ST:STUDY_SUMMARY metabolism during mid-to-late gestation in normal and diabetic pregnancy. Using ST:STUDY_SUMMARY 13C-glucose and LC-MS, we profiled the metabolism of fetal brains, hearts, ST:STUDY_SUMMARY livers, and placentas harvested from pregnant dams between embryonic days ST:STUDY_SUMMARY (E)10.5 and 18.5. Comparative analysis of our large metabolomics dataset ST:STUDY_SUMMARY revealed metabolic features specific to fetal tissues developed under a ST:STUDY_SUMMARY hyperglycemic environment as well as metabolic signatures that may denote ST:STUDY_SUMMARY developmental transitions during euglycemic development. We observed sorbitol ST:STUDY_SUMMARY accumulation in fetal tissues and altered neurotransmitter levels in fetal ST:STUDY_SUMMARY brains isolated from dams with maternal hyperglycemia. Tracing 13C-glucose ST:STUDY_SUMMARY revealed disparate nutrient sourcing in fetuses depending on maternal glycemic ST:STUDY_SUMMARY states. Regardless of glycemic state, histidine-derived metabolites accumulated ST:STUDY_SUMMARY during late development in fetal tissues and maternal plasma. Our rich dataset ST:STUDY_SUMMARY presents a comprehensive overview of in vivo fetal tissue metabolism and ST:STUDY_SUMMARY alterations occurring as a result of maternal hyperglycemia. ST:INSTITUTE University of California, Los Angeles ST:DEPARTMENT Biological Chemistry ST:LABORATORY Heather Christofk ST:LAST_NAME Matulionis ST:FIRST_NAME Nedas ST:ADDRESS 615 Charles E Young Drive South Los Angeles, CA, 90095 ST:EMAIL nmatulionis@mednet.ucla.edu ST:PHONE 3102060163 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS 9 AK15-D9-B-01 Genotype:Akita | U13C Glucose Labelling Timepoint:0 minutes RAW_FILE_NAME=AK15-D9-B-01.RAW SUBJECT_SAMPLE_FACTORS 9 AK15-D9-B-02 Genotype:Akita | U13C Glucose Labelling Timepoint:30 minutes RAW_FILE_NAME=AK15-D9-B-02.RAW SUBJECT_SAMPLE_FACTORS 9 AK15-D9-B-03 Genotype:Akita | U13C Glucose Labelling Timepoint:1 hour RAW_FILE_NAME=AK15-D9-B-03.RAW SUBJECT_SAMPLE_FACTORS 9 AK15-D9-B-04 Genotype:Akita | U13C Glucose Labelling Timepoint:2 hours RAW_FILE_NAME=AK15-D9-B-04.RAW SUBJECT_SAMPLE_FACTORS 9 AK15-D9-B-05 Genotype:Akita | U13C Glucose Labelling Timepoint:3 hours RAW_FILE_NAME=AK15-D9-B-05.RAW SUBJECT_SAMPLE_FACTORS 9 AK15-D9-B-06 Genotype:Akita | U13C Glucose Labelling Timepoint:4 hours RAW_FILE_NAME=AK15-D9-B-06.RAW SUBJECT_SAMPLE_FACTORS 4 WT15-D4-B-01 Genotype:Wild Type | U13C Glucose Labelling Timepoint:0 minutes RAW_FILE_NAME=WT15-D4-B-01.RAW SUBJECT_SAMPLE_FACTORS 4 WT15-D4-B-02 Genotype:Wild Type | U13C Glucose Labelling Timepoint:30 minutes RAW_FILE_NAME=WT15-D4-B-02.RAW SUBJECT_SAMPLE_FACTORS 4 WT15-D4-B-03 Genotype:Wild Type | U13C Glucose Labelling Timepoint:1 hour RAW_FILE_NAME=WT15-D4-B-03.RAW SUBJECT_SAMPLE_FACTORS 4 WT15-D4-B-04 Genotype:Wild Type | U13C Glucose Labelling Timepoint:2 hours RAW_FILE_NAME=WT15-D4-B-04.RAW SUBJECT_SAMPLE_FACTORS 4 WT15-D4-B-05 Genotype:Wild Type | U13C Glucose Labelling Timepoint:3 hours RAW_FILE_NAME=WT15-D4-B-05.RAW SUBJECT_SAMPLE_FACTORS 4 WT15-D4-B-06 Genotype:Wild Type | U13C Glucose Labelling Timepoint:4 hours RAW_FILE_NAME=WT15-D4-B-06.RAW SUBJECT_SAMPLE_FACTORS 3 WT15-D3-B-01 Genotype:Wild Type | U13C Glucose Labelling Timepoint:0 minutes RAW_FILE_NAME=WT15-D3-B-01.RAW SUBJECT_SAMPLE_FACTORS 3 WT15-D3-B-02 Genotype:Wild Type | U13C Glucose Labelling Timepoint:30 minutes RAW_FILE_NAME=WT15-D3-B-02.RAW SUBJECT_SAMPLE_FACTORS 3 WT15-D3-B-03 Genotype:Wild Type | U13C Glucose Labelling Timepoint:1 hour RAW_FILE_NAME=WT15-D3-B-03.RAW SUBJECT_SAMPLE_FACTORS 3 WT15-D3-B-04 Genotype:Wild Type | U13C Glucose Labelling Timepoint:2 hours RAW_FILE_NAME=WT15-D3-B-04.RAW SUBJECT_SAMPLE_FACTORS 3 WT15-D3-B-05 Genotype:Wild Type | U13C Glucose Labelling Timepoint:3 hours RAW_FILE_NAME=WT15-D3-B-05.RAW SUBJECT_SAMPLE_FACTORS 3 WT15-D3-B-06 Genotype:Wild Type | U13C Glucose Labelling Timepoint:4 hours RAW_FILE_NAME=WT15-D3-B-06.RAW SUBJECT_SAMPLE_FACTORS 6 WT15-D6-B-01 Genotype:Wild Type | U13C Glucose Labelling Timepoint:0 minutes RAW_FILE_NAME=WT15-D6-B-01.RAW SUBJECT_SAMPLE_FACTORS 6 WT15-D6-B-02 Genotype:Wild Type | U13C Glucose Labelling Timepoint:30 minutes RAW_FILE_NAME=WT15-D6-B-02.RAW SUBJECT_SAMPLE_FACTORS 6 WT15-D6-B-03 Genotype:Wild Type | U13C Glucose Labelling Timepoint:1 hour RAW_FILE_NAME=WT15-D6-B-03.RAW SUBJECT_SAMPLE_FACTORS 6 WT15-D6-B-04 Genotype:Wild Type | U13C Glucose Labelling Timepoint:2 hours RAW_FILE_NAME=WT15-D6-B-04.RAW SUBJECT_SAMPLE_FACTORS 6 WT15-D6-B-05 Genotype:Wild Type | U13C Glucose Labelling Timepoint:3 hours RAW_FILE_NAME=WT15-D6-B-05.RAW SUBJECT_SAMPLE_FACTORS 6 WT15-D6-B-06 Genotype:Wild Type | U13C Glucose Labelling Timepoint:4 hours RAW_FILE_NAME=WT15-D6-B-06.RAW SUBJECT_SAMPLE_FACTORS 7 WT15-D7-B-01 Genotype:Wild Type | U13C Glucose Labelling Timepoint:0 minutes RAW_FILE_NAME=WT15-D7-B-01.RAW SUBJECT_SAMPLE_FACTORS 7 WT15-D7-B-02 Genotype:Wild Type | U13C Glucose Labelling Timepoint:30 minutes RAW_FILE_NAME=WT15-D7-B-02.RAW SUBJECT_SAMPLE_FACTORS 7 WT15-D7-B-03 Genotype:Wild Type | U13C Glucose Labelling Timepoint:1 hour RAW_FILE_NAME=WT15-D7-B-03.RAW SUBJECT_SAMPLE_FACTORS 7 WT15-D7-B-04 Genotype:Wild Type | U13C Glucose Labelling Timepoint:2 hours RAW_FILE_NAME=WT15-D7-B-04.RAW SUBJECT_SAMPLE_FACTORS 7 WT15-D7-B-05 Genotype:Wild Type | U13C Glucose Labelling Timepoint:3 hours RAW_FILE_NAME=WT15-D7-B-05.RAW SUBJECT_SAMPLE_FACTORS 7 WT15-D7-B-06 Genotype:Wild Type | U13C Glucose Labelling Timepoint:4 hours RAW_FILE_NAME=WT15-D7-B-06.RAW SUBJECT_SAMPLE_FACTORS 9 AK15-D9-H-01 Genotype:Akita | U13C Glucose Labelling Timepoint:0 minutes RAW_FILE_NAME=AK15-D9-H-01.RAW SUBJECT_SAMPLE_FACTORS 9 AK15-D9-H-02 Genotype:Akita | U13C Glucose Labelling Timepoint:30 minutes RAW_FILE_NAME=AK15-D9-H-02.RAW SUBJECT_SAMPLE_FACTORS 9 AK15-D9-H-03 Genotype:Akita | U13C Glucose Labelling Timepoint:1 hour RAW_FILE_NAME=AK15-D9-H-03.RAW SUBJECT_SAMPLE_FACTORS 9 AK15-D9-H-04 Genotype:Akita | U13C Glucose Labelling Timepoint:2 hours RAW_FILE_NAME=AK15-D9-H-04.RAW SUBJECT_SAMPLE_FACTORS 9 AK15-D9-H-05 Genotype:Akita | U13C Glucose Labelling Timepoint:3 hours RAW_FILE_NAME=AK15-D9-H-05.RAW SUBJECT_SAMPLE_FACTORS 9 AK15-D9-H-06 Genotype:Akita | U13C Glucose Labelling Timepoint:4 hours RAW_FILE_NAME=AK15-D9-H-06.RAW SUBJECT_SAMPLE_FACTORS 4 WT15-D4-H-01 Genotype:Wild Type | U13C Glucose Labelling Timepoint:0 minutes RAW_FILE_NAME=WT15-D4-H-01.RAW SUBJECT_SAMPLE_FACTORS 4 WT15-D4-H-02 Genotype:Wild Type | U13C Glucose Labelling Timepoint:30 minutes RAW_FILE_NAME=WT15-D4-H-02.RAW SUBJECT_SAMPLE_FACTORS 4 WT15-D4-H-03 Genotype:Wild Type | U13C Glucose Labelling Timepoint:1 hour RAW_FILE_NAME=WT15-D4-H-03.RAW SUBJECT_SAMPLE_FACTORS 4 WT15-D4-H-04 Genotype:Wild Type | U13C Glucose Labelling Timepoint:2 hours RAW_FILE_NAME=WT15-D4-H-04.RAW SUBJECT_SAMPLE_FACTORS 4 WT15-D4-H-05 Genotype:Wild Type | U13C Glucose Labelling Timepoint:3 hours RAW_FILE_NAME=WT15-D4-H-05.RAW SUBJECT_SAMPLE_FACTORS 4 WT15-D4-H-06 Genotype:Wild Type | U13C Glucose Labelling Timepoint:4 hours RAW_FILE_NAME=WT15-D4-H-06.RAW SUBJECT_SAMPLE_FACTORS 3 WT15-D3-H-01 Genotype:Wild Type | U13C Glucose Labelling Timepoint:0 minutes RAW_FILE_NAME=WT15-D3-H-01.RAW SUBJECT_SAMPLE_FACTORS 3 WT15-D3-H-02 Genotype:Wild Type | U13C Glucose Labelling Timepoint:30 minutes RAW_FILE_NAME=WT15-D3-H-02.RAW SUBJECT_SAMPLE_FACTORS 3 WT15-D3-H-03 Genotype:Wild Type | U13C Glucose Labelling Timepoint:1 hour RAW_FILE_NAME=WT15-D3-H-03.RAW SUBJECT_SAMPLE_FACTORS 3 WT15-D3-H-04 Genotype:Wild Type | U13C Glucose Labelling Timepoint:2 hours RAW_FILE_NAME=WT15-D3-H-04.RAW SUBJECT_SAMPLE_FACTORS 3 WT15-D3-H-05 Genotype:Wild Type | U13C Glucose Labelling Timepoint:3 hours RAW_FILE_NAME=WT15-D3-H-05.RAW SUBJECT_SAMPLE_FACTORS 3 WT15-D3-H-06 Genotype:Wild Type | U13C Glucose Labelling Timepoint:4 hours RAW_FILE_NAME=WT15-D3-H-06.RAW SUBJECT_SAMPLE_FACTORS 6 WT15-D6-H-01 Genotype:Wild Type | U13C Glucose Labelling Timepoint:0 minutes RAW_FILE_NAME=WT15-D6-H-01.RAW SUBJECT_SAMPLE_FACTORS 6 WT15-D6-H-02 Genotype:Wild Type | U13C Glucose Labelling Timepoint:30 minutes RAW_FILE_NAME=WT15-D6-H-02.RAW SUBJECT_SAMPLE_FACTORS 6 WT15-D6-H-03 Genotype:Wild Type | U13C Glucose Labelling Timepoint:1 hour RAW_FILE_NAME=WT15-D6-H-03.RAW SUBJECT_SAMPLE_FACTORS 6 WT15-D6-H-04 Genotype:Wild Type | U13C Glucose Labelling Timepoint:2 hours RAW_FILE_NAME=WT15-D6-H-04.RAW SUBJECT_SAMPLE_FACTORS 6 WT15-D6-H-05 Genotype:Wild Type | U13C Glucose Labelling Timepoint:3 hours RAW_FILE_NAME=WT15-D6-H-05.RAW SUBJECT_SAMPLE_FACTORS 6 WT15-D6-H-06 Genotype:Wild Type | U13C Glucose Labelling Timepoint:4 hours RAW_FILE_NAME=WT15-D6-H-06.RAW SUBJECT_SAMPLE_FACTORS 7 WT15-D7-H-01 Genotype:Wild Type | U13C Glucose Labelling Timepoint:0 minutes RAW_FILE_NAME=WT15-D7-H-01.RAW SUBJECT_SAMPLE_FACTORS 7 WT15-D7-H-02 Genotype:Wild Type | U13C Glucose Labelling Timepoint:30 minutes RAW_FILE_NAME=WT15-D7-H-02.RAW SUBJECT_SAMPLE_FACTORS 7 WT15-D7-H-03 Genotype:Wild Type | U13C Glucose Labelling Timepoint:1 hour RAW_FILE_NAME=WT15-D7-H-03.RAW SUBJECT_SAMPLE_FACTORS 7 WT15-D7-H-04 Genotype:Wild Type | U13C Glucose Labelling Timepoint:2 hours RAW_FILE_NAME=WT15-D7-H-04.RAW SUBJECT_SAMPLE_FACTORS 7 WT15-D7-H-05 Genotype:Wild Type | U13C Glucose Labelling Timepoint:3 hours RAW_FILE_NAME=WT15-D7-H-05.RAW SUBJECT_SAMPLE_FACTORS 7 WT15-D7-H-06 Genotype:Wild Type | U13C Glucose Labelling Timepoint:4 hours RAW_FILE_NAME=WT15-D7-H-06.RAW SUBJECT_SAMPLE_FACTORS 9 AK15-D9-L-01 Genotype:Akita | U13C Glucose Labelling Timepoint:0 minutes RAW_FILE_NAME=AK15-D9-L-01.RAW SUBJECT_SAMPLE_FACTORS 9 AK15-D9-L-02 Genotype:Akita | U13C Glucose Labelling Timepoint:30 minutes RAW_FILE_NAME=AK15-D9-L-02.RAW SUBJECT_SAMPLE_FACTORS 9 AK15-D9-L-03 Genotype:Akita | U13C Glucose Labelling Timepoint:1 hour RAW_FILE_NAME=AK15-D9-L-03.RAW SUBJECT_SAMPLE_FACTORS 9 AK15-D9-L-04 Genotype:Akita | U13C Glucose Labelling Timepoint:2 hours RAW_FILE_NAME=AK15-D9-L-04.RAW SUBJECT_SAMPLE_FACTORS 9 AK15-D9-L-05 Genotype:Akita | U13C Glucose Labelling Timepoint:3 hours RAW_FILE_NAME=AK15-D9-L-05.RAW SUBJECT_SAMPLE_FACTORS 9 AK15-D9-L-06 Genotype:Akita | U13C Glucose Labelling Timepoint:4 hours RAW_FILE_NAME=AK15-D9-L-06.RAW SUBJECT_SAMPLE_FACTORS 4 WT15-D4-L-01 Genotype:Wild Type | U13C Glucose Labelling Timepoint:0 minutes RAW_FILE_NAME=WT15-D4-L-01.RAW SUBJECT_SAMPLE_FACTORS 4 WT15-D4-L-02 Genotype:Wild Type | U13C Glucose Labelling Timepoint:30 minutes RAW_FILE_NAME=WT15-D4-L-02.RAW SUBJECT_SAMPLE_FACTORS 4 WT15-D4-L-03 Genotype:Wild Type | U13C Glucose Labelling Timepoint:1 hour RAW_FILE_NAME=WT15-D4-L-03.RAW SUBJECT_SAMPLE_FACTORS 4 WT15-D4-L-04 Genotype:Wild Type | U13C Glucose Labelling Timepoint:2 hours RAW_FILE_NAME=WT15-D4-L-04.RAW SUBJECT_SAMPLE_FACTORS 4 WT15-D4-L-05 Genotype:Wild Type | U13C Glucose Labelling Timepoint:3 hours RAW_FILE_NAME=WT15-D4-L-05.RAW SUBJECT_SAMPLE_FACTORS 4 WT15-D4-L-06 Genotype:Wild Type | U13C Glucose Labelling Timepoint:4 hours RAW_FILE_NAME=WT15-D4-L-06.RAW SUBJECT_SAMPLE_FACTORS 3 WT15-D3-L-01 Genotype:Wild Type | U13C Glucose Labelling Timepoint:0 minutes RAW_FILE_NAME=WT15-D3-L-01.RAW SUBJECT_SAMPLE_FACTORS 3 WT15-D3-L-02 Genotype:Wild Type | U13C Glucose Labelling Timepoint:30 minutes RAW_FILE_NAME=WT15-D3-L-02.RAW SUBJECT_SAMPLE_FACTORS 3 WT15-D3-L-03 Genotype:Wild Type | U13C Glucose Labelling Timepoint:1 hour RAW_FILE_NAME=WT15-D3-L-03.RAW SUBJECT_SAMPLE_FACTORS 3 WT15-D3-L-04 Genotype:Wild Type | U13C Glucose Labelling Timepoint:2 hours RAW_FILE_NAME=WT15-D3-L-04.RAW SUBJECT_SAMPLE_FACTORS 3 WT15-D3-L-05 Genotype:Wild Type | U13C Glucose Labelling Timepoint:3 hours RAW_FILE_NAME=WT15-D3-L-05.RAW SUBJECT_SAMPLE_FACTORS 3 WT15-D3-L-06 Genotype:Wild Type | U13C Glucose Labelling Timepoint:4 hours RAW_FILE_NAME=WT15-D3-L-06.RAW SUBJECT_SAMPLE_FACTORS 6 WT15-D6-L-01 Genotype:Wild Type | U13C Glucose Labelling Timepoint:0 minutes RAW_FILE_NAME=WT15-D6-L-01.RAW SUBJECT_SAMPLE_FACTORS 6 WT15-D6-L-02 Genotype:Wild Type | U13C Glucose Labelling Timepoint:30 minutes RAW_FILE_NAME=WT15-D6-L-02.RAW SUBJECT_SAMPLE_FACTORS 6 WT15-D6-L-03 Genotype:Wild Type | U13C Glucose Labelling Timepoint:1 hour RAW_FILE_NAME=WT15-D6-L-03.RAW SUBJECT_SAMPLE_FACTORS 6 WT15-D6-L-04 Genotype:Wild Type | U13C Glucose Labelling Timepoint:2 hours RAW_FILE_NAME=WT15-D6-L-04.RAW SUBJECT_SAMPLE_FACTORS 6 WT15-D6-L-05 Genotype:Wild Type | U13C Glucose Labelling Timepoint:3 hours RAW_FILE_NAME=WT15-D6-L-05.RAW SUBJECT_SAMPLE_FACTORS 6 WT15-D6-L-06 Genotype:Wild Type | U13C Glucose Labelling Timepoint:4 hours RAW_FILE_NAME=WT15-D6-L-06.RAW SUBJECT_SAMPLE_FACTORS 7 WT15-D7-L-01 Genotype:Wild Type | U13C Glucose Labelling Timepoint:0 minutes RAW_FILE_NAME=WT15-D7-L-01.RAW SUBJECT_SAMPLE_FACTORS 7 WT15-D7-L-02 Genotype:Wild Type | U13C Glucose Labelling Timepoint:30 minutes RAW_FILE_NAME=WT15-D7-L-02.RAW SUBJECT_SAMPLE_FACTORS 7 WT15-D7-L-03 Genotype:Wild Type | U13C Glucose Labelling Timepoint:1 hour RAW_FILE_NAME=WT15-D7-L-03.RAW SUBJECT_SAMPLE_FACTORS 7 WT15-D7-L-04 Genotype:Wild Type | U13C Glucose Labelling Timepoint:2 hours RAW_FILE_NAME=WT15-D7-L-04.RAW SUBJECT_SAMPLE_FACTORS 7 WT15-D7-L-05 Genotype:Wild Type | U13C Glucose Labelling Timepoint:3 hours RAW_FILE_NAME=WT15-D7-L-05.RAW SUBJECT_SAMPLE_FACTORS 7 WT15-D7-L-06 Genotype:Wild Type | U13C Glucose Labelling Timepoint:4 hours RAW_FILE_NAME=WT15-D7-L-06.RAW SUBJECT_SAMPLE_FACTORS 4 AK15-D4-P-01 Genotype:Akita | U13C Glucose Labelling Timepoint:0 minutes RAW_FILE_NAME=AK15-D4-P-01.RAW SUBJECT_SAMPLE_FACTORS 4 AK15-D4-P-02 Genotype:Akita | U13C Glucose Labelling Timepoint:30 minutes RAW_FILE_NAME=AK15-D4-P-02.RAW SUBJECT_SAMPLE_FACTORS 4 AK15-D4-P-03 Genotype:Akita | U13C Glucose Labelling Timepoint:1 hour RAW_FILE_NAME=AK15-D4-P-03.RAW SUBJECT_SAMPLE_FACTORS 4 AK15-D4-P-04 Genotype:Akita | U13C Glucose Labelling Timepoint:2 hours RAW_FILE_NAME=AK15-D4-P-04.RAW SUBJECT_SAMPLE_FACTORS 4 AK15-D4-P-05 Genotype:Akita | U13C Glucose Labelling Timepoint:3 hours RAW_FILE_NAME=AK15-D4-P-05.RAW SUBJECT_SAMPLE_FACTORS 4 AK15-D4-P-06 Genotype:Akita | U13C Glucose Labelling Timepoint:4 hours RAW_FILE_NAME=AK15-D4-P-06.RAW SUBJECT_SAMPLE_FACTORS 9 AK15-D9-P-01 Genotype:Akita | U13C Glucose Labelling Timepoint:0 minutes RAW_FILE_NAME=AK15-D9-P-01.RAW SUBJECT_SAMPLE_FACTORS 9 AK15-D9-P-02 Genotype:Akita | U13C Glucose Labelling Timepoint:30 minutes RAW_FILE_NAME=AK15-D9-P-02.RAW SUBJECT_SAMPLE_FACTORS 9 AK15-D9-P-03 Genotype:Akita | U13C Glucose Labelling Timepoint:1 hour RAW_FILE_NAME=AK15-D9-P-03.RAW SUBJECT_SAMPLE_FACTORS 9 AK15-D9-P-04 Genotype:Akita | U13C Glucose Labelling Timepoint:2 hours RAW_FILE_NAME=AK15-D9-P-04.RAW SUBJECT_SAMPLE_FACTORS 9 AK15-D9-P-05 Genotype:Akita | U13C Glucose Labelling Timepoint:3 hours RAW_FILE_NAME=AK15-D9-P-05.RAW SUBJECT_SAMPLE_FACTORS 9 AK15-D9-P-06 Genotype:Akita | U13C Glucose Labelling Timepoint:4 hours RAW_FILE_NAME=AK15-D9-P-06.RAW SUBJECT_SAMPLE_FACTORS 4 WT15-D4-P-01 Genotype:Wild Type | U13C Glucose Labelling Timepoint:0 minutes RAW_FILE_NAME=WT15-D4-P-01.RAW SUBJECT_SAMPLE_FACTORS 4 WT15-D4-P-02 Genotype:Wild Type | U13C Glucose Labelling Timepoint:30 minutes RAW_FILE_NAME=WT15-D4-P-02.RAW SUBJECT_SAMPLE_FACTORS 4 WT15-D4-P-03 Genotype:Wild Type | U13C Glucose Labelling Timepoint:1 hour RAW_FILE_NAME=WT15-D4-P-03.RAW SUBJECT_SAMPLE_FACTORS 4 WT15-D4-P-04 Genotype:Wild Type | U13C Glucose Labelling Timepoint:2 hours RAW_FILE_NAME=WT15-D4-P-04.RAW SUBJECT_SAMPLE_FACTORS 4 WT15-D4-P-05 Genotype:Wild Type | U13C Glucose Labelling Timepoint:3 hours RAW_FILE_NAME=WT15-D4-P-05.RAW SUBJECT_SAMPLE_FACTORS 4 WT15-D4-P-06 Genotype:Wild Type | U13C Glucose Labelling Timepoint:4 hours RAW_FILE_NAME=WT15-D4-P-06.RAW SUBJECT_SAMPLE_FACTORS 3 WT15-D3-P-01 Genotype:Wild Type | U13C Glucose Labelling Timepoint:0 minutes RAW_FILE_NAME=WT15-D3-P-01.RAW SUBJECT_SAMPLE_FACTORS 3 WT15-D3-P-02 Genotype:Wild Type | U13C Glucose Labelling Timepoint:30 minutes RAW_FILE_NAME=WT15-D3-P-02.RAW SUBJECT_SAMPLE_FACTORS 3 WT15-D3-P-03 Genotype:Wild Type | U13C Glucose Labelling Timepoint:1 hour RAW_FILE_NAME=WT15-D3-P-03.RAW SUBJECT_SAMPLE_FACTORS 3 WT15-D3-P-04 Genotype:Wild Type | U13C Glucose Labelling Timepoint:2 hours RAW_FILE_NAME=WT15-D3-P-04.RAW SUBJECT_SAMPLE_FACTORS 3 WT15-D3-P-05 Genotype:Wild Type | U13C Glucose Labelling Timepoint:3 hours RAW_FILE_NAME=WT15-D3-P-05.RAW SUBJECT_SAMPLE_FACTORS 3 WT15-D3-P-06 Genotype:Wild Type | U13C Glucose Labelling Timepoint:4 hours RAW_FILE_NAME=WT15-D3-P-06.RAW SUBJECT_SAMPLE_FACTORS 6 WT15-D6-P-01 Genotype:Wild Type | U13C Glucose Labelling Timepoint:0 minutes RAW_FILE_NAME=WT15-D6-P-01.RAW SUBJECT_SAMPLE_FACTORS 6 WT15-D6-P-02 Genotype:Wild Type | U13C Glucose Labelling Timepoint:30 minutes RAW_FILE_NAME=WT15-D6-P-02.RAW SUBJECT_SAMPLE_FACTORS 6 WT15-D6-P-03 Genotype:Wild Type | U13C Glucose Labelling Timepoint:1 hour RAW_FILE_NAME=WT15-D6-P-03.RAW SUBJECT_SAMPLE_FACTORS 6 WT15-D6-P-04 Genotype:Wild Type | U13C Glucose Labelling Timepoint:2 hours RAW_FILE_NAME=WT15-D6-P-04.RAW SUBJECT_SAMPLE_FACTORS 6 WT15-D6-P-05 Genotype:Wild Type | U13C Glucose Labelling Timepoint:3 hours RAW_FILE_NAME=WT15-D6-P-05.RAW SUBJECT_SAMPLE_FACTORS 6 WT15-D6-P-06 Genotype:Wild Type | U13C Glucose Labelling Timepoint:4 hours RAW_FILE_NAME=WT15-D6-P-06.RAW SUBJECT_SAMPLE_FACTORS 7 WT15-D7-P-01 Genotype:Wild Type | U13C Glucose Labelling Timepoint:0 minutes RAW_FILE_NAME=WT15-D7-P-01.RAW SUBJECT_SAMPLE_FACTORS 7 WT15-D7-P-02 Genotype:Wild Type | U13C Glucose Labelling Timepoint:30 minutes RAW_FILE_NAME=WT15-D7-P-02.RAW SUBJECT_SAMPLE_FACTORS 7 WT15-D7-P-03 Genotype:Wild Type | U13C Glucose Labelling Timepoint:1 hour RAW_FILE_NAME=WT15-D7-P-03.RAW SUBJECT_SAMPLE_FACTORS 7 WT15-D7-P-04 Genotype:Wild Type | U13C Glucose Labelling Timepoint:2 hours RAW_FILE_NAME=WT15-D7-P-04.RAW SUBJECT_SAMPLE_FACTORS 7 WT15-D7-P-05 Genotype:Wild Type | U13C Glucose Labelling Timepoint:3 hours RAW_FILE_NAME=WT15-D7-P-05.RAW SUBJECT_SAMPLE_FACTORS 7 WT15-D7-P-06 Genotype:Wild Type | U13C Glucose Labelling Timepoint:4 hours RAW_FILE_NAME=WT15-D7-P-06.RAW SUBJECT_SAMPLE_FACTORS 4 AK15-D4-S-01 Genotype:Akita | U13C Glucose Labelling Timepoint:0 minutes RAW_FILE_NAME=AK15-D4-S-01.RAW SUBJECT_SAMPLE_FACTORS 4 AK15-D4-S-02 Genotype:Akita | U13C Glucose Labelling Timepoint:30 minutes RAW_FILE_NAME=AK15-D4-S-02.RAW SUBJECT_SAMPLE_FACTORS 4 AK15-D4-S-03 Genotype:Akita | U13C Glucose Labelling Timepoint:1 hour RAW_FILE_NAME=AK15-D4-S-03.RAW SUBJECT_SAMPLE_FACTORS 4 AK15-D4-S-04 Genotype:Akita | U13C Glucose Labelling Timepoint:2 hours RAW_FILE_NAME=AK15-D4-S-04.RAW SUBJECT_SAMPLE_FACTORS 4 AK15-D4-S-05 Genotype:Akita | U13C Glucose Labelling Timepoint:3 hours RAW_FILE_NAME=AK15-D4-S-05.RAW SUBJECT_SAMPLE_FACTORS 4 AK15-D4-S-06 Genotype:Akita | U13C Glucose Labelling Timepoint:4 hours RAW_FILE_NAME=AK15-D4-S-06.RAW SUBJECT_SAMPLE_FACTORS 8 AK15-D8-S-01 Genotype:Akita | U13C Glucose Labelling Timepoint:0 minutes RAW_FILE_NAME=AK15-D8-S-01.RAW SUBJECT_SAMPLE_FACTORS 8 AK15-D8-S-02 Genotype:Akita | U13C Glucose Labelling Timepoint:30 minutes RAW_FILE_NAME=AK15-D8-S-02.RAW SUBJECT_SAMPLE_FACTORS 8 AK15-D8-S-03 Genotype:Akita | U13C Glucose Labelling Timepoint:1 hour RAW_FILE_NAME=AK15-D8-S-03.RAW SUBJECT_SAMPLE_FACTORS 8 AK15-D8-S-04 Genotype:Akita | U13C Glucose Labelling Timepoint:2 hours RAW_FILE_NAME=AK15-D8-S-04.RAW SUBJECT_SAMPLE_FACTORS 8 AK15-D8-S-05 Genotype:Akita | U13C Glucose Labelling Timepoint:3 hours RAW_FILE_NAME=AK15-D8-S-05.RAW SUBJECT_SAMPLE_FACTORS 8 AK15-D8-S-06 Genotype:Akita | U13C Glucose Labelling Timepoint:4 hours RAW_FILE_NAME=AK15-D8-S-06.RAW SUBJECT_SAMPLE_FACTORS 9 AK15-D9-S-01 Genotype:Akita | U13C Glucose Labelling Timepoint:0 minutes RAW_FILE_NAME=AK15-D9-S-01.RAW SUBJECT_SAMPLE_FACTORS 9 AK15-D9-S-02 Genotype:Akita | U13C Glucose Labelling Timepoint:30 minutes RAW_FILE_NAME=AK15-D9-S-02.RAW SUBJECT_SAMPLE_FACTORS 9 AK15-D9-S-03 Genotype:Akita | U13C Glucose Labelling Timepoint:1 hour RAW_FILE_NAME=AK15-D9-S-03.RAW SUBJECT_SAMPLE_FACTORS 9 AK15-D9-S-04 Genotype:Akita | U13C Glucose Labelling Timepoint:2 hours RAW_FILE_NAME=AK15-D9-S-04.RAW SUBJECT_SAMPLE_FACTORS 9 AK15-D9-S-05 Genotype:Akita | U13C Glucose Labelling Timepoint:3 hours RAW_FILE_NAME=AK15-D9-S-05.RAW SUBJECT_SAMPLE_FACTORS 9 AK15-D9-S-06 Genotype:Akita | U13C Glucose Labelling Timepoint:4 hours RAW_FILE_NAME=AK15-D9-S-06.RAW SUBJECT_SAMPLE_FACTORS 4 WT15-D4-S-01 Genotype:Wild Type | U13C Glucose Labelling Timepoint:0 minutes RAW_FILE_NAME=WT15-D4-S-01.RAW SUBJECT_SAMPLE_FACTORS 4 WT15-D4-S-02 Genotype:Wild Type | U13C Glucose Labelling Timepoint:30 minutes RAW_FILE_NAME=WT15-D4-S-02.RAW SUBJECT_SAMPLE_FACTORS 4 WT15-D4-S-03 Genotype:Wild Type | U13C Glucose Labelling Timepoint:1 hour RAW_FILE_NAME=WT15-D4-S-03.RAW SUBJECT_SAMPLE_FACTORS 4 WT15-D4-S-04 Genotype:Wild Type | U13C Glucose Labelling Timepoint:2 hours RAW_FILE_NAME=WT15-D4-S-04.RAW SUBJECT_SAMPLE_FACTORS 4 WT15-D4-S-05 Genotype:Wild Type | U13C Glucose Labelling Timepoint:3 hours RAW_FILE_NAME=WT15-D4-S-05.RAW SUBJECT_SAMPLE_FACTORS 4 WT15-D4-S-06 Genotype:Wild Type | U13C Glucose Labelling Timepoint:4 hours RAW_FILE_NAME=WT15-D4-S-06.RAW SUBJECT_SAMPLE_FACTORS 3 WT15-D3-S-01 Genotype:Wild Type | U13C Glucose Labelling Timepoint:0 minutes RAW_FILE_NAME=WT15-D3-S-01.RAW SUBJECT_SAMPLE_FACTORS 3 WT15-D3-S-02 Genotype:Wild Type | U13C Glucose Labelling Timepoint:30 minutes RAW_FILE_NAME=WT15-D3-S-02.RAW SUBJECT_SAMPLE_FACTORS 3 WT15-D3-S-03 Genotype:Wild Type | U13C Glucose Labelling Timepoint:1 hour RAW_FILE_NAME=WT15-D3-S-03.RAW SUBJECT_SAMPLE_FACTORS 3 WT15-D3-S-04 Genotype:Wild Type | U13C Glucose Labelling Timepoint:2 hours RAW_FILE_NAME=WT15-D3-S-04.RAW SUBJECT_SAMPLE_FACTORS 3 WT15-D3-S-05 Genotype:Wild Type | U13C Glucose Labelling Timepoint:3 hours RAW_FILE_NAME=WT15-D3-S-05.RAW SUBJECT_SAMPLE_FACTORS 3 WT15-D3-S-06 Genotype:Wild Type | U13C Glucose Labelling Timepoint:4 hours RAW_FILE_NAME=WT15-D3-S-06.RAW SUBJECT_SAMPLE_FACTORS 6 WT15-D6-S-01 Genotype:Wild Type | U13C Glucose Labelling Timepoint:0 minutes RAW_FILE_NAME=WT15-D6-S-01.RAW SUBJECT_SAMPLE_FACTORS 6 WT15-D6-S-02 Genotype:Wild Type | U13C Glucose Labelling Timepoint:30 minutes RAW_FILE_NAME=WT15-D6-S-02.RAW SUBJECT_SAMPLE_FACTORS 6 WT15-D6-S-03 Genotype:Wild Type | U13C Glucose Labelling Timepoint:1 hour RAW_FILE_NAME=WT15-D6-S-03.RAW SUBJECT_SAMPLE_FACTORS 6 WT15-D6-S-04 Genotype:Wild Type | U13C Glucose Labelling Timepoint:2 hours RAW_FILE_NAME=WT15-D6-S-04.RAW SUBJECT_SAMPLE_FACTORS 6 WT15-D6-S-05 Genotype:Wild Type | U13C Glucose Labelling Timepoint:3 hours RAW_FILE_NAME=WT15-D6-S-05.RAW SUBJECT_SAMPLE_FACTORS 6 WT15-D6-S-06 Genotype:Wild Type | U13C Glucose Labelling Timepoint:4 hours RAW_FILE_NAME=WT15-D6-S-06.RAW SUBJECT_SAMPLE_FACTORS 7 WT15-D7-S-01 Genotype:Wild Type | U13C Glucose Labelling Timepoint:0 minutes RAW_FILE_NAME=WT15-D7-S-01.RAW SUBJECT_SAMPLE_FACTORS 7 WT15-D7-S-02 Genotype:Wild Type | U13C Glucose Labelling Timepoint:30 minutes RAW_FILE_NAME=WT15-D7-S-02.RAW SUBJECT_SAMPLE_FACTORS 7 WT15-D7-S-03 Genotype:Wild Type | U13C Glucose Labelling Timepoint:1 hour RAW_FILE_NAME=WT15-D7-S-03.RAW SUBJECT_SAMPLE_FACTORS 7 WT15-D7-S-04 Genotype:Wild Type | U13C Glucose Labelling Timepoint:2 hours RAW_FILE_NAME=WT15-D7-S-04.RAW SUBJECT_SAMPLE_FACTORS 7 WT15-D7-S-05 Genotype:Wild Type | U13C Glucose Labelling Timepoint:3 hours RAW_FILE_NAME=WT15-D7-S-05.RAW SUBJECT_SAMPLE_FACTORS 7 WT15-D7-S-06 Genotype:Wild Type | U13C Glucose Labelling Timepoint:4 hours RAW_FILE_NAME=WT15-D7-S-06.RAW SUBJECT_SAMPLE_FACTORS 10 AK15-D10-S-01 Genotype:Akita | U13C Glucose Labelling Timepoint:0 minutes RAW_FILE_NAME=AK15-D10-S-01.RAW SUBJECT_SAMPLE_FACTORS 10 AK15-D10-S-02 Genotype:Akita | U13C Glucose Labelling Timepoint:30 minutes RAW_FILE_NAME=AK15-D10-S-02.RAW SUBJECT_SAMPLE_FACTORS 10 AK15-D10-S-03 Genotype:Akita | U13C Glucose Labelling Timepoint:1 hour RAW_FILE_NAME=AK15-D10-S-03.RAW SUBJECT_SAMPLE_FACTORS 10 AK15-D10-S-04 Genotype:Akita | U13C Glucose Labelling Timepoint:2 hours RAW_FILE_NAME=AK15-D10-S-04.RAW SUBJECT_SAMPLE_FACTORS 10 AK15-D10-S-05 Genotype:Akita | U13C Glucose Labelling Timepoint:3 hours RAW_FILE_NAME=AK15-D10-S-05.RAW #COLLECTION CO:COLLECTION_SUMMARY Healthy wildtype and Akita dams were set up for mating. The following morning, CO:COLLECTION_SUMMARY females displaying vaginal plugs were identified as pregnant, recorded as CO:COLLECTION_SUMMARY embryonic day (E) 0.5 and moved to a new cage until the appropriate embryonic CO:COLLECTION_SUMMARY day to be interrogated. CO:SAMPLE_TYPE Embryo #TREATMENT TR:TREATMENT_SUMMARY Pregnant mice were placed under a maintained plane of isoflurane anesthesia TR:TREATMENT_SUMMARY (2.5%). Retro-orbital blood draw for time zero was performed followed by opening TR:TREATMENT_SUMMARY a small incision to the lower abdomen of the pregnant mouse to expose a single TR:TREATMENT_SUMMARY conceptus for fetal tissue harvesting. Immediately after the first blood draw TR:TREATMENT_SUMMARY and fetus collection, a tail vein catheter was placed and bolus (4 µL/gBW) was TR:TREATMENT_SUMMARY administered followed by continuous infusion (0.085ul/gBW/min). A single TR:TREATMENT_SUMMARY conceptus, accessed via the initial small incision, was harvested at multiple TR:TREATMENT_SUMMARY time points during infusion of the nutrient tracer (13C glucose). Retro-orbital TR:TREATMENT_SUMMARY blood draws (<20 ul) were taken throughout the infusion to monitor tracer TR:TREATMENT_SUMMARY enrichment in maternal blood. Timepoints for harvesting after time zero were: 30 TR:TREATMENT_SUMMARY minutes, 1 hour, 2 hours, 3 hours, and 4 hours. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Fetal tissue extraction: Following infusion, mice were euthanized and blood was SP:SAMPLEPREP_SUMMARY collected via heart puncture. Fetal tissues (placenta, brain, liver, and heart) SP:SAMPLEPREP_SUMMARY were dissected in ice-cold sterile PBS. Immediately after dissection, weight was SP:SAMPLEPREP_SUMMARY recorded and fetal tissue was placed in a pre-filled bead mill tube containing SP:SAMPLEPREP_SUMMARY metal beads and 500 µL of methanol:water (80:20) solution kept cold on dry ice. SP:SAMPLEPREP_SUMMARY Fetal tissues were homogenized using a Fisherbrand™ Bead Mill Homogenizer. SP:SAMPLEPREP_SUMMARY Samples were spun twice at >17,000 g (4 °C) to remove precipitated cell SP:SAMPLEPREP_SUMMARY material (protein/DNA). Supernatants were collected, transferred to a clean SP:SAMPLEPREP_SUMMARY tube, and evaporated using a Nitrogen evaporator (Organomation). Evaporated SP:SAMPLEPREP_SUMMARY samples were stored at -80 °C. Pellets containing protein/DNA were dried on a SP:SAMPLEPREP_SUMMARY heat block (55 °C) and stored at -80 °C. Serum extraction: Collected blood was SP:SAMPLEPREP_SUMMARY centrifuged at 5,000g to collect serum. Serum was snap frozen in liquid nitrogen SP:SAMPLEPREP_SUMMARY and stored until extraction. For metabolite extraction 5 µL serum was mixed SP:SAMPLEPREP_SUMMARY with 500 µL 100% MeOH (-80 °C). Samples were centrifuged for 10 min at >17,000 SP:SAMPLEPREP_SUMMARY g (4 °C) and 450 µL of each sample evaporated using a Nitrogen evaporator SP:SAMPLEPREP_SUMMARY (Organomation). Evaporated samples were stored at -80 °C. SP:PROCESSING_STORAGE_CONDITIONS On ice SP:EXTRACT_STORAGE -80℃ #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Dried metabolites were reconstituted in 100 µL of a 50% acetonitrile (ACN) 50% CH:CHROMATOGRAPHY_SUMMARY dH20 solution. Samples were vortexed and spun down for 10 min at 17,000g. 70 µL CH:CHROMATOGRAPHY_SUMMARY of the supernatant was then transferred to HPLC glass vials. 10 µL of these CH:CHROMATOGRAPHY_SUMMARY metabolite solutions were injected per analysis. Samples were run on a Vanquish CH:CHROMATOGRAPHY_SUMMARY (Thermo Scientific) UHPLC system with mobile phase A (20mM ammonium carbonate, CH:CHROMATOGRAPHY_SUMMARY pH 9.7) and mobile phase B (100% ACN) at a flow rate of 150 µL/min on a SeQuant CH:CHROMATOGRAPHY_SUMMARY ZIC-pHILIC Polymeric column (2.1 × 150 mm 5 μm, EMD Millipore) at 35°C. CH:CHROMATOGRAPHY_SUMMARY Separation was achieved with a linear gradient from 20% A to 80% A in 20 min CH:CHROMATOGRAPHY_SUMMARY followed by a linear gradient from 80% A to 20% A from 20 min to 20.5 min. 20% A CH:CHROMATOGRAPHY_SUMMARY was then held from 20.5 min to 28 min. CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Thermo Vanquish CH:COLUMN_NAME SeQuant ZIC-HILIC (150 x 2.1mm,5um) CH:SOLVENT_A 100% water; 20 mM ammonium carbonate, pH 9.7 CH:SOLVENT_B 100% acetonitrile CH:FLOW_GRADIENT Separation was achieved with a linear gradient from 20% A to 80% A in 20 min CH:FLOW_GRADIENT followed by a linear gradient from 80% A to 20% A from 20 min to 20.5 min. 20% A CH:FLOW_GRADIENT was then held from 20.5 min to 28 min. CH:FLOW_RATE 150 µL/min CH:COLUMN_TEMPERATURE 35°C #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME Heather Christofk AN:OPERATOR_NAME Nedas Matulionis #MS MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS The UHPLC was coupled to a Q-Exactive (Thermo Scientific) mass analyzer running MS:MS_COMMENTS in polarity switching mode with spray-voltage=3.2kV, sheath-gas=40, aux-gas=15, MS:MS_COMMENTS sweep-gas=1, aux-gas-temp=350°C, and capillary-temp=275°C. For both polarities MS:MS_COMMENTS mass scan settings were kept at full-scan-range = (70-1000), MS:MS_COMMENTS ms1-resolution=70,000, max-injection-time=250ms, and AGC-target=1E6. MS2 data MS:MS_COMMENTS was also collected from the top three most abundant singly-charged ions in each MS:MS_COMMENTS scan with normalized-collision-energy=35. Each of the resulting “.RAW” files MS:MS_COMMENTS was then centroided and converted into two “.mzXML” files (one for positive MS:MS_COMMENTS scans and one for negative scans) using msconvert from ProteoWizard. These MS:MS_COMMENTS “.mzXML” files were imported into the MZmine 2 software package. Ion MS:MS_COMMENTS chromatograms were generated from MS1 spectra via the built-in Automated Data MS:MS_COMMENTS Analysis Pipeline (ADAP) chromatogram module and peaks were detected via the MS:MS_COMMENTS ADAP wavelets algorithm. Peaks were aligned across all samples via the Random MS:MS_COMMENTS sample consensus aligner module, gap-filled, and assigned identities using an MS:MS_COMMENTS exact mass MS1(+/-15ppm) and retention time RT (+/-0.5min) search of our MS:MS_COMMENTS in-house MS1-RT database. Peak boundaries and identifications were then further MS:MS_COMMENTS refined by manual curation. Peaks were quantified by area under the curve MS:MS_COMMENTS integration and exported as CSV files. If stable isotope tracing was used in the MS:MS_COMMENTS experiment, the peak areas were additionally processed via the R package AccuCor MS:MS_COMMENTS 2 to correct for natural isotope abundance. Peak areas for each sample were MS:MS_COMMENTS normalized by the measured area of the internal standard MS:MS_COMMENTS trifluoromethanesulfonate (present in the extraction buffer) and by the number MS:MS_COMMENTS of cells present in the extracted well. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak Area MS_METABOLITE_DATA_START Samples AK15-D9-B-01 AK15-D9-B-02 AK15-D9-B-03 AK15-D9-B-04 AK15-D9-B-05 AK15-D9-B-06 WT15-D4-B-01 WT15-D4-B-02 WT15-D4-B-03 WT15-D4-B-04 WT15-D4-B-05 WT15-D4-B-06 WT15-D3-B-01 WT15-D3-B-02 WT15-D3-B-03 WT15-D3-B-04 WT15-D3-B-05 WT15-D3-B-06 WT15-D6-B-01 WT15-D6-B-02 WT15-D6-B-03 WT15-D6-B-04 WT15-D6-B-05 WT15-D6-B-06 WT15-D7-B-01 WT15-D7-B-02 WT15-D7-B-03 WT15-D7-B-04 WT15-D7-B-05 WT15-D7-B-06 AK15-D9-H-01 AK15-D9-H-02 AK15-D9-H-03 AK15-D9-H-04 AK15-D9-H-05 AK15-D9-H-06 WT15-D4-H-01 WT15-D4-H-02 WT15-D4-H-03 WT15-D4-H-04 WT15-D4-H-05 WT15-D4-H-06 WT15-D3-H-01 WT15-D3-H-02 WT15-D3-H-03 WT15-D3-H-04 WT15-D3-H-05 WT15-D3-H-06 WT15-D6-H-01 WT15-D6-H-02 WT15-D6-H-03 WT15-D6-H-04 WT15-D6-H-05 WT15-D6-H-06 WT15-D7-H-01 WT15-D7-H-02 WT15-D7-H-03 WT15-D7-H-04 WT15-D7-H-05 WT15-D7-H-06 AK15-D9-L-01 AK15-D9-L-02 AK15-D9-L-03 AK15-D9-L-04 AK15-D9-L-05 AK15-D9-L-06 WT15-D4-L-01 WT15-D4-L-02 WT15-D4-L-03 WT15-D4-L-04 WT15-D4-L-05 WT15-D4-L-06 WT15-D3-L-01 WT15-D3-L-02 WT15-D3-L-03 WT15-D3-L-04 WT15-D3-L-05 WT15-D3-L-06 WT15-D6-L-01 WT15-D6-L-02 WT15-D6-L-03 WT15-D6-L-04 WT15-D6-L-05 WT15-D6-L-06 WT15-D7-L-01 WT15-D7-L-02 WT15-D7-L-03 WT15-D7-L-04 WT15-D7-L-05 WT15-D7-L-06 AK15-D4-P-01 AK15-D4-P-02 AK15-D4-P-03 AK15-D4-P-04 AK15-D4-P-05 AK15-D4-P-06 AK15-D9-P-01 AK15-D9-P-02 AK15-D9-P-03 AK15-D9-P-04 AK15-D9-P-05 AK15-D9-P-06 WT15-D4-P-01 WT15-D4-P-02 WT15-D4-P-03 WT15-D4-P-04 WT15-D4-P-05 WT15-D4-P-06 WT15-D3-P-01 WT15-D3-P-02 WT15-D3-P-03 WT15-D3-P-04 WT15-D3-P-05 WT15-D3-P-06 WT15-D6-P-01 WT15-D6-P-02 WT15-D6-P-03 WT15-D6-P-04 WT15-D6-P-05 WT15-D6-P-06 WT15-D7-P-01 WT15-D7-P-02 WT15-D7-P-03 WT15-D7-P-04 WT15-D7-P-05 WT15-D7-P-06 AK15-D4-S-01 AK15-D4-S-02 AK15-D4-S-03 AK15-D4-S-04 AK15-D4-S-05 AK15-D4-S-06 AK15-D8-S-01 AK15-D8-S-02 AK15-D8-S-03 AK15-D8-S-04 AK15-D8-S-05 AK15-D8-S-06 AK15-D9-S-01 AK15-D9-S-02 AK15-D9-S-03 AK15-D9-S-04 AK15-D9-S-05 AK15-D9-S-06 WT15-D4-S-01 WT15-D4-S-02 WT15-D4-S-03 WT15-D4-S-04 WT15-D4-S-05 WT15-D4-S-06 WT15-D3-S-01 WT15-D3-S-02 WT15-D3-S-03 WT15-D3-S-04 WT15-D3-S-05 WT15-D3-S-06 WT15-D6-S-01 WT15-D6-S-02 WT15-D6-S-03 WT15-D6-S-04 WT15-D6-S-05 WT15-D6-S-06 WT15-D7-S-01 WT15-D7-S-02 WT15-D7-S-03 WT15-D7-S-04 WT15-D7-S-05 WT15-D7-S-06 AK15-D10-S-01 AK15-D10-S-02 AK15-D10-S-03 AK15-D10-S-04 AK15-D10-S-05 Factors Genotype:Akita | U13C Glucose Labelling Timepoint:0 minutes Genotype:Akita | U13C Glucose Labelling Timepoint:30 minutes Genotype:Akita | U13C Glucose Labelling Timepoint:1 hour Genotype:Akita | U13C Glucose Labelling Timepoint:2 hours Genotype:Akita | U13C Glucose Labelling Timepoint:3 hours Genotype:Akita | U13C Glucose Labelling Timepoint:4 hours Genotype:Wild Type | U13C Glucose Labelling Timepoint:0 minutes Genotype:Wild Type | U13C Glucose Labelling Timepoint:30 minutes Genotype:Wild Type | U13C Glucose Labelling Timepoint:1 hour Genotype:Wild Type | U13C Glucose Labelling Timepoint:2 hours Genotype:Wild Type | U13C Glucose Labelling Timepoint:3 hours Genotype:Wild Type | U13C Glucose Labelling Timepoint:4 hours Genotype:Wild Type | U13C Glucose Labelling Timepoint:0 minutes Genotype:Wild Type | U13C Glucose Labelling Timepoint:30 minutes Genotype:Wild Type | U13C Glucose Labelling Timepoint:1 hour Genotype:Wild Type | U13C Glucose Labelling Timepoint:2 hours Genotype:Wild Type | U13C Glucose Labelling Timepoint:3 hours Genotype:Wild Type | U13C Glucose Labelling Timepoint:4 hours Genotype:Wild Type | U13C Glucose Labelling Timepoint:0 minutes Genotype:Wild Type | U13C Glucose Labelling Timepoint:30 minutes Genotype:Wild Type | U13C Glucose Labelling Timepoint:1 hour Genotype:Wild Type | U13C Glucose Labelling Timepoint:2 hours Genotype:Wild Type | U13C Glucose Labelling Timepoint:3 hours Genotype:Wild Type | U13C Glucose Labelling Timepoint:4 hours Genotype:Wild Type | U13C Glucose Labelling Timepoint:0 minutes Genotype:Wild Type | U13C Glucose Labelling Timepoint:30 minutes Genotype:Wild Type | U13C Glucose Labelling Timepoint:1 hour Genotype:Wild Type | U13C Glucose Labelling Timepoint:2 hours Genotype:Wild Type | U13C Glucose Labelling Timepoint:3 hours Genotype:Wild Type | U13C Glucose Labelling Timepoint:4 hours Genotype:Akita | U13C Glucose Labelling Timepoint:0 minutes Genotype:Akita | U13C Glucose Labelling Timepoint:30 minutes Genotype:Akita | U13C Glucose Labelling Timepoint:1 hour Genotype:Akita | U13C Glucose Labelling Timepoint:2 hours Genotype:Akita | U13C Glucose Labelling Timepoint:3 hours Genotype:Akita | U13C Glucose Labelling Timepoint:4 hours Genotype:Wild Type | U13C Glucose Labelling Timepoint:0 minutes Genotype:Wild Type | U13C Glucose Labelling Timepoint:30 minutes Genotype:Wild Type | U13C Glucose Labelling Timepoint:1 hour Genotype:Wild Type | U13C Glucose Labelling Timepoint:2 hours Genotype:Wild Type | U13C Glucose Labelling Timepoint:3 hours Genotype:Wild Type | U13C Glucose Labelling Timepoint:4 hours Genotype:Wild Type | U13C Glucose Labelling Timepoint:0 minutes Genotype:Wild Type | U13C Glucose Labelling Timepoint:30 minutes Genotype:Wild Type | U13C Glucose Labelling Timepoint:1 hour Genotype:Wild Type | U13C Glucose Labelling Timepoint:2 hours Genotype:Wild Type | U13C Glucose Labelling Timepoint:3 hours Genotype:Wild Type | U13C Glucose Labelling Timepoint:4 hours Genotype:Wild Type | U13C Glucose Labelling Timepoint:0 minutes Genotype:Wild Type | U13C Glucose Labelling Timepoint:30 minutes Genotype:Wild Type | U13C Glucose Labelling Timepoint:1 hour Genotype:Wild Type | U13C Glucose Labelling Timepoint:2 hours Genotype:Wild Type | U13C Glucose Labelling Timepoint:3 hours Genotype:Wild Type | U13C Glucose Labelling Timepoint:4 hours Genotype:Wild Type | U13C Glucose Labelling Timepoint:0 minutes Genotype:Wild Type | U13C Glucose Labelling Timepoint:30 minutes Genotype:Wild Type | U13C Glucose Labelling Timepoint:1 hour Genotype:Wild Type | U13C Glucose Labelling Timepoint:2 hours Genotype:Wild Type | U13C Glucose Labelling Timepoint:3 hours Genotype:Wild Type | U13C Glucose Labelling Timepoint:4 hours Genotype:Akita | U13C Glucose Labelling Timepoint:0 minutes Genotype:Akita | U13C Glucose Labelling Timepoint:30 minutes Genotype:Akita | U13C Glucose Labelling Timepoint:1 hour Genotype:Akita | U13C Glucose Labelling Timepoint:2 hours Genotype:Akita | U13C Glucose Labelling Timepoint:3 hours Genotype:Akita | U13C Glucose Labelling Timepoint:4 hours Genotype:Wild Type | U13C Glucose Labelling Timepoint:0 minutes Genotype:Wild Type | U13C Glucose Labelling Timepoint:30 minutes Genotype:Wild Type | U13C Glucose Labelling Timepoint:1 hour Genotype:Wild Type | U13C Glucose Labelling Timepoint:2 hours Genotype:Wild Type | U13C Glucose Labelling Timepoint:3 hours Genotype:Wild Type | U13C Glucose Labelling Timepoint:4 hours Genotype:Wild Type | U13C Glucose Labelling Timepoint:0 minutes Genotype:Wild Type | U13C Glucose Labelling Timepoint:30 minutes Genotype:Wild Type | U13C Glucose Labelling Timepoint:1 hour Genotype:Wild Type | U13C Glucose Labelling Timepoint:2 hours Genotype:Wild Type | U13C Glucose Labelling Timepoint:3 hours Genotype:Wild Type | U13C Glucose Labelling Timepoint:4 hours Genotype:Wild Type | U13C Glucose Labelling Timepoint:0 minutes Genotype:Wild Type | U13C Glucose Labelling Timepoint:30 minutes Genotype:Wild Type | U13C Glucose Labelling Timepoint:1 hour Genotype:Wild Type | U13C Glucose Labelling Timepoint:2 hours Genotype:Wild Type | U13C Glucose Labelling Timepoint:3 hours Genotype:Wild Type | U13C Glucose Labelling Timepoint:4 hours Genotype:Wild Type | U13C Glucose Labelling Timepoint:0 minutes Genotype:Wild Type | U13C Glucose Labelling Timepoint:30 minutes Genotype:Wild Type | U13C Glucose Labelling Timepoint:1 hour Genotype:Wild Type | U13C Glucose Labelling Timepoint:2 hours Genotype:Wild Type | U13C Glucose Labelling Timepoint:3 hours Genotype:Wild Type | U13C Glucose Labelling Timepoint:4 hours Genotype:Akita | U13C Glucose Labelling Timepoint:0 minutes Genotype:Akita | U13C Glucose Labelling Timepoint:30 minutes Genotype:Akita | U13C Glucose Labelling Timepoint:1 hour Genotype:Akita | U13C Glucose Labelling Timepoint:2 hours Genotype:Akita | U13C Glucose Labelling Timepoint:3 hours Genotype:Akita | U13C Glucose Labelling Timepoint:4 hours Genotype:Akita | U13C Glucose Labelling Timepoint:0 minutes Genotype:Akita | U13C Glucose Labelling Timepoint:30 minutes Genotype:Akita | U13C Glucose Labelling Timepoint:1 hour Genotype:Akita | U13C Glucose Labelling Timepoint:2 hours Genotype:Akita | U13C Glucose Labelling Timepoint:3 hours Genotype:Akita | U13C Glucose Labelling Timepoint:4 hours Genotype:Wild Type | U13C Glucose Labelling Timepoint:0 minutes Genotype:Wild Type | U13C Glucose Labelling Timepoint:30 minutes Genotype:Wild Type | U13C Glucose Labelling Timepoint:1 hour Genotype:Wild Type | U13C Glucose Labelling Timepoint:2 hours Genotype:Wild Type | U13C Glucose Labelling Timepoint:3 hours Genotype:Wild Type | U13C Glucose Labelling Timepoint:4 hours Genotype:Wild Type | U13C Glucose Labelling Timepoint:0 minutes Genotype:Wild Type | U13C Glucose Labelling Timepoint:30 minutes Genotype:Wild Type | U13C Glucose Labelling Timepoint:1 hour Genotype:Wild Type | U13C Glucose Labelling Timepoint:2 hours Genotype:Wild Type | U13C Glucose Labelling Timepoint:3 hours Genotype:Wild Type | U13C Glucose Labelling Timepoint:4 hours Genotype:Wild Type | U13C Glucose Labelling Timepoint:0 minutes Genotype:Wild Type | U13C Glucose Labelling Timepoint:30 minutes Genotype:Wild Type | U13C Glucose Labelling Timepoint:1 hour Genotype:Wild Type | U13C Glucose Labelling Timepoint:2 hours Genotype:Wild Type | U13C Glucose Labelling Timepoint:3 hours Genotype:Wild Type | U13C Glucose Labelling Timepoint:4 hours Genotype:Wild Type | U13C Glucose Labelling Timepoint:0 minutes Genotype:Wild Type | U13C Glucose Labelling Timepoint:30 minutes Genotype:Wild Type | U13C Glucose Labelling Timepoint:1 hour Genotype:Wild Type | U13C Glucose Labelling Timepoint:2 hours Genotype:Wild Type | U13C Glucose Labelling Timepoint:3 hours Genotype:Wild Type | U13C Glucose Labelling Timepoint:4 hours Genotype:Akita | U13C Glucose Labelling Timepoint:0 minutes Genotype:Akita | U13C Glucose Labelling Timepoint:30 minutes Genotype:Akita | U13C Glucose Labelling Timepoint:1 hour Genotype:Akita | U13C Glucose Labelling Timepoint:2 hours Genotype:Akita | U13C Glucose Labelling Timepoint:3 hours Genotype:Akita | U13C Glucose Labelling Timepoint:4 hours Genotype:Akita | U13C Glucose Labelling Timepoint:0 minutes Genotype:Akita | U13C Glucose Labelling Timepoint:30 minutes Genotype:Akita | U13C Glucose Labelling Timepoint:1 hour Genotype:Akita | U13C Glucose Labelling Timepoint:2 hours Genotype:Akita | U13C Glucose Labelling Timepoint:3 hours Genotype:Akita | U13C Glucose Labelling Timepoint:4 hours Genotype:Akita | U13C Glucose Labelling Timepoint:0 minutes Genotype:Akita | U13C Glucose Labelling Timepoint:30 minutes Genotype:Akita | U13C Glucose Labelling Timepoint:1 hour Genotype:Akita | U13C Glucose Labelling Timepoint:2 hours Genotype:Akita | U13C Glucose Labelling Timepoint:3 hours Genotype:Akita | U13C Glucose Labelling Timepoint:4 hours Genotype:Wild Type | U13C Glucose Labelling Timepoint:0 minutes Genotype:Wild Type | U13C Glucose Labelling Timepoint:30 minutes Genotype:Wild Type | U13C Glucose Labelling Timepoint:1 hour Genotype:Wild Type | U13C Glucose Labelling Timepoint:2 hours Genotype:Wild Type | U13C Glucose Labelling Timepoint:3 hours Genotype:Wild Type | U13C Glucose Labelling Timepoint:4 hours Genotype:Wild Type | U13C Glucose Labelling Timepoint:0 minutes Genotype:Wild Type | U13C Glucose Labelling Timepoint:30 minutes Genotype:Wild Type | U13C Glucose Labelling Timepoint:1 hour Genotype:Wild Type | U13C Glucose Labelling Timepoint:2 hours Genotype:Wild Type | U13C Glucose Labelling Timepoint:3 hours Genotype:Wild Type | U13C Glucose Labelling Timepoint:4 hours Genotype:Wild Type | U13C Glucose Labelling Timepoint:0 minutes Genotype:Wild Type | U13C Glucose Labelling Timepoint:30 minutes Genotype:Wild Type | U13C Glucose Labelling Timepoint:1 hour Genotype:Wild Type | U13C Glucose Labelling Timepoint:2 hours Genotype:Wild Type | U13C Glucose Labelling Timepoint:3 hours Genotype:Wild Type | U13C Glucose Labelling Timepoint:4 hours Genotype:Wild Type | U13C Glucose Labelling Timepoint:0 minutes Genotype:Wild Type | U13C Glucose Labelling Timepoint:30 minutes Genotype:Wild Type | U13C Glucose Labelling Timepoint:1 hour Genotype:Wild Type | U13C Glucose Labelling Timepoint:2 hours Genotype:Wild Type | U13C Glucose Labelling Timepoint:3 hours Genotype:Wild Type | U13C Glucose Labelling Timepoint:4 hours Genotype:Akita | U13C Glucose Labelling Timepoint:0 minutes Genotype:Akita | U13C Glucose Labelling Timepoint:30 minutes Genotype:Akita | U13C Glucose Labelling Timepoint:1 hour Genotype:Akita | U13C Glucose Labelling Timepoint:2 hours Genotype:Akita | U13C Glucose Labelling Timepoint:3 hours 3-hydroxy-trimethyllysine 753027.1651 699635.7441 598225.9753 531022.043 546540.962 597579.7127 616264.2355 578046.5056 593148.7262 687617.0009 629674.4371 542439.789 537723.1394 427311.0665 562024.0868 461486.1073 458403.879 484039.9251 616571.9941 623806.1653 510380.9075 528412.7204 589647.1011 512611.1919 857877.0257 683889.7407 1016105.154 823777.7475 684088.9718 598055.7249 165183.0328 193365.361 150149.0418 147769.2613 142488.9697 176465.5444 174316.8609 192788.56 158797.3156 190604.5931 185686.9693 209610.9083 145732.4196 146041.671 170366.1575 165493.4566 148551.1101 185046.1717 251036.3996 229428.0634 258792.7488 222433.4475 347719.0465 278554.1554 235608.0583 229082.2824 304988.1415 276651.4819 292287.5307 288943.4559 242001.6303 270670.6464 155314.5696 167653.9353 161188.2423 171964.2753 190138.9564 205149.717 135466.1287 114332.6061 98545.51503 148054.2122 112008.9219 147436.2631 150636.1561 116662.9099 134471.9653 102981.5434 205201.6389 285349.7126 213384.4502 176349.3054 209513.9523 156629.5532 333303.6126 295188.0949 271520.0135 222303.4662 276346.2592 164222.9427 519433.3556 466629.0209 497422.4963 525186.5602 479998.1172 377627.1237 464863.4798 339255.0489 243488.5434 302940.7676 331547.8227 285732.368 480363.5929 450848.0891 427809.5293 461713.0313 336316.1571 293222.4303 302313.0016 185932.6683 284007.4317 175460.3845 257725.6703 212134.5675 465169.81 394726.0029 356735.7115 427693.8661 291324.4654 302495.2739 756281.5071 705907.9681 500063.1361 546679.61 444221.513 411651.8652 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 17512.80756 49263.2223 45847.91251 0 14813.67687 0 83080.3498 66750.7919 0 35693.72898 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5'-methylthioadenosine 3915218.746 3918758.695 4834371.851 4162722.604 5850664.55 6256463.347 4682196.271 5568338.248 4837498.221 5012876.674 6528539.035 6836055.819 7747884.316 6892097.16 7450372.511 7704411.313 8453730.762 10069457.95 5623116.955 5022498.123 5442334.028 6128892.153 6779620.694 6894890.262 4764900.605 5295322.209 5320475.407 5386900.946 7228410.132 9810121.242 2169758.131 2736924.989 2366023.637 2174780.506 2630306.143 2981487.869 4839589.137 4900145.333 5286900.475 5122589.852 4125307.818 4902256.514 6548777.623 7245786.074 7978605.838 8110395.482 8147864.063 8574053.248 3939447.005 3608283.893 4078987.906 3214078.984 4845067.522 4144973.847 2655319.404 2957714.018 4152120.021 4368959.613 4502504.741 6077935.787 3894784.453 5358279.242 5424911.726 6881639.964 8390986.467 8038459.505 4917786.737 6015549.023 6782011.117 7402227.778 10255917.61 11656838.59 6173734.528 8191078.661 9556741.206 10758809.94 13583492.73 17381310.62 6045480.302 7445529.012 8539921.623 7174375.873 8118528.305 10459166.21 3639440.463 5865092.608 7937185.312 9369399.908 12002061.97 14542113.53 1086464.306 893559.0101 1138280.8 1412317.539 1402762.462 1775680.184 1078576.377 1057610.34 1076820.52 1131127.41 1462010.149 1545474.851 2548284.444 2283882.141 2172801.645 2623239.749 2800761.639 2760249.114 3446599.808 2900699.344 2920965.698 4065158.431 3583430.308 4647253.028 1438502.892 1403114.345 1549084.403 1575895.9 1020939.119 1869684.531 1168950.965 1475793.741 1590211.625 1626812.027 1905352.57 2261535.686 170889.1285 84079.22866 87114.00924 143862.125 68394.47959 82460.1033 65579.20713 0 41334.7725 67529.94179 55290.36073 0 77510.66638 0 101054.1175 78517.54244 0 0 117423.571 68477.88119 260374.9537 130648.0805 408399.8935 56972.49638 90680.45734 648960.0939 266302.3427 282464.0369 465938.1942 60463.77885 126522.5114 249379.9103 175829.751 236318.6228 165211.6084 282625.0115 231612.6774 200322.3176 160554.8231 271063.3083 29842.35165 22597.92492 0 0 32181.23089 47060.38984 70968.38597 acetyl-carnitine 110236638.7 124625358.5 160708384.2 173511776.5 197543597.1 167138116.8 75983739.83 109957459.8 115907604.6 127668436.2 122641913.5 132369371.9 97035754.67 89317639.25 106850887.2 147608346.1 150544885.4 154052032 146172816.4 116706505.1 170144767.6 222699923 244382413.4 233376761.5 103841592.8 149375908.2 141192070.1 180670574 189469763.6 132293529.6 25093117.55 27388205.44 32553314.87 32644593.22 33326878.4 31529940.51 30385790.22 31068774.18 40975512.52 82560164.71 56004379.27 31027291.25 45781179.06 31971167.15 30033421.45 52705456.51 67186898.82 45157542.55 45508069.43 31312522.64 28822638.52 66589567.3 127098605.2 55468100.47 59429517.59 37942852.61 44913125.22 46380583.34 57806716.5 46538766 163006118.9 198665979 209444813.5 141398286.6 130814731.5 117697270.8 137507259.7 142673612.2 151848972.5 161338511.3 107365704 103434496.3 153529177.8 170380652.5 145141943.6 220660761 199824583.3 152557320.4 258324957.5 163696982.4 190928303.1 245962995.2 283517647.4 205003877.7 176342113.6 217537663.3 235924971 199541159.8 185784764.8 187708105.4 596675081.9 391367840.3 321896902.9 329967718.6 329007272.3 336698585.1 406165190.6 331183172 249296418.4 306858364.7 273088749.1 272843675.1 315705827.6 272488906.1 284780420.7 443467693.8 264023251.9 399699759.7 555242193.8 321697392.7 281959010.5 240083369.8 473984481 348620552.6 487193337.4 445327446 444278275.3 477721256.2 328711258 508339440 380776886 335983612.6 314127042 287807472.5 329384448.8 450815000 57521751.34 69905669.31 68813176.27 74543240.9 74406343.1 63994711.67 30147181.76 27270698.24 33491736.38 30711742.65 35717386.04 28414729.5 21850924.46 25166424.28 35173012.82 22473788.63 30549097.62 24716124.37 18880260.3 13550004.87 23698491.63 21124968.45 38018247.89 24957153.01 30367453.08 54652283.49 32023711.39 38472957.32 52934862.47 31762313.51 51592006.49 72887128.35 68289351.52 60830798.74 49042717.1 59779423.26 53207984.23 53370841.85 57626006.48 48157681.78 41757419 37152003.79 12857662.03 15281924.58 17030761.44 16576542.91 19357189.07 adenine 3232639.817 3269854.129 6684627.305 3569103.609 4041335.347 4372534.073 3733362.905 4374809.495 4363519.811 5724395.787 5154192.628 5625156.557 5016727.56 4709397.806 5519178.15 4667671.036 5552552.399 5235993.9 4062321.576 4570123.232 4655504.955 5283874.739 6355883.26 6274340.36 3835912.892 4312967.527 5034340.712 5055059.575 5871601.699 8817237.811 23211977.99 17372092.27 22091987.79 21065777.12 25989593.3 21924017.13 45109228.3 61125090.07 68690909.36 47817916.3 47005610.03 44481275.74 44438877.94 50535027.04 42817690.19 52256343.05 42475840.41 42180165.71 41003176.26 13912787.72 40143999.97 31404363.16 50367011.29 38883137.9 44862667.15 44659904.03 54518998.64 44788338.24 51403896.18 51375292 3053733.058 3807313.315 4169769.258 4565729.879 5492518.666 4632989.033 3003190.212 3234155.197 3342800.135 4796727.43 4794904.381 5585716.874 3946085.831 3614744.423 3930223.514 4385101.383 4762133.557 5599042.633 4442992.792 4365775.158 4591669.173 4082101.538 5092921.951 4913727.459 2530745.183 3293315.576 5198948.126 5160581.634 6934836.737 6865889.891 1491752.31 1030840.628 1301261.481 1689529.677 1401615.518 1639772.514 1072961.29 992858.8739 1068550.926 1044226.793 1170721.4 1331757.618 2555991.139 2075138.984 2069580.035 2387881.968 2166818.872 2562853.87 2194438.319 1566091.073 1644519.761 2328934.508 1934324.739 2155470.606 1578827.916 1140079.069 1095944.487 1074516.251 895613.4289 1218960.52 1369863.78 1719969.859 1731050.082 1284298.686 1724321.254 1924955.955 231608.245 202292.4155 128867.8845 74201.55748 101500.8772 90739.36861 43832.62917 26531.527 41209.43193 31079.98767 60870.01185 36128.6549 50621.39148 20343.16992 68927.99987 32810.43491 0 0 99836.95394 49451.9877 138243.0183 72598.18255 280751.7828 49083.44789 97874.75184 332508.1669 134773.3775 229888.1029 265994.3581 50851.28704 129482.7736 282049.7905 245424.1946 251072.6694 425768.4708 197630.8833 257589.4103 210836.1465 221579.5941 333622.9436 119827.6934 85965.87404 38429.4737 62013.74432 93290.90533 61497.41027 61579.46356 adenosine 435137.4757 417149.0104 475841.3412 462058.5849 524766.9032 624437.3364 1042667.892 920412.1946 820004.7683 1622717.782 1344930.25 1154510.542 1653244.183 1413402.991 1830923.744 1221137.321 1606822.837 1342906.275 2304394.446 1005658.149 1178109.376 828625.2366 1214143.427 725047.5825 922856.8968 1172128.314 1066638.556 893902.797 762819.4395 850942.0115 4073849.04 4342518.645 5228040.488 4942463.021 3907302.379 5226575.549 12442957.69 11020387.3 17275754.16 11270164.55 10843558.71 10242150.28 13848692.62 12751340.55 13960020.69 15009438.17 12254015.31 10176155.16 8913149.812 6128752.303 11404472.29 6931555.187 13617517.85 12010786.06 6045669.756 6843197.516 11613192.98 10051797.14 13077198.3 11108575.58 7206415.146 6503129.648 5440872.877 4879066.141 5480096.909 7211330.125 9103736.695 5705556.114 7320638.391 10114248.62 6876208.297 4110292.233 12436484.37 9807924.728 10797049.68 9959361.462 10162501.2 8420062.939 5832927.981 6050592.035 5729577.145 4282249.225 4339404.52 3826502.102 5586789.745 4589217.224 4116710.78 3950247.366 3854849.065 3482039.176 942034.4614 212873.045 853956.2219 1201246.807 792959.5034 1043837.092 5447333.849 5322947.79 7587060.352 5538389.395 5862396.741 3923791.168 1929570.535 3867121.164 4309999.22 5188256.016 2845625.112 1722516.495 7001333.358 2963425.026 973156.325 2345382.715 3926545.147 3607898.768 2833456.503 3486882.025 1510968.706 1419617.293 2774898.807 1835130.576 1292154.368 5019187.994 9601661.696 4824913.405 6703623.839 4462175.238 33705.30829 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 89604.1277 30511.1337 54252.27768 38043.45678 48621.29705 112205.7412 49198.2503 0 55222.13784 25922.66278 0 33530.79755 161358.9211 25178.41315 0 0 0 0 0 0 10132.67358 4180.226652 0 5932.615023 21175.91557 AIR 636285.1948 29724308.91 29202294.01 33131884.84 35968796.01 32787953.87 81530.62363 28159.30542 70551.13612 0 53680.89285 38334.90447 39732.36056 0 46014.93512 30632.80904 0 0 284336.3873 43836022.4 44089433.68 39397010.82 39060495.08 36327954.83 344073.7497 40876149.25 35103213.54 41598720.01 39140155.66 38446433.18 1719084.938 70361183.94 65998025.8 73388012.78 76375201.5 63314321 81087.10868 125191.409 134032.4134 154078.2759 140595.7802 142025.1541 69487.07629 54539.71229 72561.94827 86577.11535 72911.89587 145523.6922 1223346.842 63598927.08 90390908.49 75695453.18 93443751.52 94174126.01 1078043.463 89132184.99 80389939.65 87053736.89 87323495.16 73264300.46 1234386.813 61251905.07 63053709.74 71321050.85 75928156.72 80729176.35 147294.4448 118254.6506 134734.4319 105765.9265 121695.8744 151419.5328 78041.32125 104475.7958 107034.6495 233936.1717 85719.0177 96720.00494 687497.7359 70880319.84 72455751.92 68971027.77 75494344.04 73851383.86 651875.7484 75625602.99 84276606.09 87012326.5 90992287.95 87514014.47 1945801.294 49050196.54 37990878.51 47014448.24 54230027.87 47020242.96 1328596.09 47673531.37 63227342.66 68056987.33 77439775.15 80947247.06 172943.1713 94044.56056 123263.8565 148071.2362 125463.8636 68640.34591 124979.8965 94003.50024 230040.9759 156303.9626 183647.8155 279119.2275 2123462.455 40222241.87 37064190.8 36024668.99 32432011.39 43471079.42 1652679.501 46749271.79 42950887.29 40857905.92 38649290.25 35515723.46 0 10924379.03 8282980.913 13163609.29 10884699.32 11166966.85 0 7018235.808 5812064.033 4200931.114 7168518.766 4561517.319 0 5787283.545 7306492.366 3126212.395 5199948.002 2218849.96 0 0 0 0 0 0 0 43020.44805 0 0 61930.33736 0 54766.31037 24708558.27 241986.2754 19804932.14 21485347.42 35728.45602 0 19611272.54 26715093.38 16132396.92 14376651.14 6148660.639 0 0 0 0 0 alanine 29714600.05 29199566.97 30522420.8 30276546.51 32568824.26 33647930.69 43678593.5 49463581.4 50895301.76 53901486.33 56821827.42 55194044.12 47696572.4 48949894.84 47909385.07 49588712.98 51900944.21 52978888.49 31800647.16 29615250.4 30509542.87 32551703.71 34938909.59 34286703.13 30946092.27 32590473.41 36085948.31 36606117.4 37804806.29 39603593.21 11768668.24 14954721.78 13963911.6 14201429.35 16487154.84 20313602.26 26525546.47 28005684.16 34759700.93 33861300.34 36405947.17 33738661.37 29850214.22 33054831.1 31382509.42 34605402.44 36207980.49 35502561.26 17508587.56 20358363.37 16294483.96 16388247.88 23872826.37 20969369.99 13699403.53 14901420.2 17346984.59 20521663.15 21057827.3 27376121.57 16665126.9 19925973.13 18257972.74 17157022.96 16968605.72 21861033.93 27489861.05 32976109.83 32278291 32703664.46 33580255.79 31810449.69 29121356.33 30830495.44 32882938.14 28844327.79 30622060.15 30297357.52 16830604.06 14883127.23 14616186.85 15911409.23 18360288.38 17896378.73 16354519.84 16931045.41 18673313.26 18621760.27 19233333.9 20811438.99 16242436.64 15496877.39 15577195.21 17113917.53 17803187.54 17350989.96 13413342.96 12610288.47 10894900.09 11694099.99 13163434.76 12074657.36 24897323.95 27145820.21 26350785.89 28197931.6 27821661.45 29083539.39 24132988.6 22586105.56 24408067.75 22235639.88 24637054.54 25280526.91 13099564.66 12146368.09 12803897.16 12910287.81 10382051.31 12844777.18 13730992.65 14371051.28 16068123.75 14188600.81 16827552.85 16722644.27 4096917.056 8244876.199 12827907.42 9477787.053 12242043.15 16421824.14 3356997.92 5781588.778 14481869.26 10101106.34 9711823.63 10067328.36 2802020.047 4108858.696 5415979.437 7075698.851 6599162.232 6397499.379 11549833.37 18114396.48 18538877.31 15329569.82 16581115.35 16480852.46 10469760.02 16574130.88 17165741.77 16096466.32 21098219.49 20662864.36 3778869.247 3144557.415 6943364.5 3822817.925 4217946.91 6634049.749 3495570.626 4569440.201 5183408.103 4806204.972 4833195.014 5156617.138 3640550.742 5235947.227 6734085.726 9016579.265 9142167.875 arginine 30712767.78 38678539.22 41784656.85 45138004.73 56815229.21 51830406.77 55949723.82 81265571.38 70750785.05 68746863.09 104527124.9 95845972.77 54323133.8 61411452.46 59848940.23 52253905.86 58236390.88 66697126.53 37076017.62 53703832.98 56977455.85 44428169.29 47510413.56 33612676.89 31757439.93 45963967.29 52518848.41 49458603.18 64010348.93 79214843.35 25417487.4 35776051.16 36222094.93 31062870.43 35705915.08 37290890.83 70472395.64 80496488.77 69580310.38 56794915.33 87624614.07 77647481.02 67389049.3 73615834.36 67787030.41 52760317.53 66981332.74 68683648.16 38649502.5 59008918.18 54856343.51 38944692.13 48725026.18 35980600.6 31575334.72 41645475.8 39551061.41 38667152.15 55238425.54 68742515.5 42200373.87 52983162.92 53272567.12 53715979.44 52790473.21 50053294.92 83327114.72 99501474.93 79289154.98 62054827.14 95253730.1 97804115.66 74185559.06 67953074.66 69771542.38 49076219.02 59126865.49 65324256.04 49406271.93 77885952.19 75245349.59 36432354.91 46969997.71 37737271.92 47104726.45 63645008.89 56175233.84 41342986.43 63360647.39 76258311.26 45931974.69 53937555.52 60323618.87 66932204.56 66140207.93 67081838.19 33968295.77 42502126.16 43556060.56 46553000.55 51925631.96 49674679.36 97133835.86 101032982.4 90646750.04 82742161.4 105563101.3 115100621.5 81445368.39 71632946.36 71682127.7 70001936.11 70153746.97 77731688.13 36671081.09 47845905.64 48382534.6 37777336.63 30618455.58 37222481.8 40157649.16 50545757.88 46221945.29 47428489.42 55287052.39 59466841.66 44899.19976 64777.87642 11262.03145 34988.45269 30764.45958 50000.14738 0 63106.6843 103506.5199 15983.4236 158661.1523 23642.66102 16110.0796 49314.28567 70437.32277 49747.61725 49134.39721 54483.69051 76124842.53 101785810.6 101358445.7 93262940.16 100099783.8 89979891.74 62855471.82 95485269.66 78867845.15 90103215.98 93633003.63 73872340.52 19162.84163 85099.01168 26497.45542 56371.49859 24717.38703 45768.87573 28241.81656 61885.86663 100611.5678 88115.70269 51134.88505 37028.05573 18562842.29 25835136.26 30286816.69 32891853.45 37559093.36 asparagine 3159440.033 2632022.136 2770217.151 3218900.645 4720644.381 5200961.4 1930016.145 3029081.917 2726438.357 2901033.423 4052353.132 7624248.902 2467364.269 2618750.301 2563265.431 3105548.254 5304833.945 8665203.004 3978918.8 3120971.962 3264260.963 4067252.161 5487547.261 6458272.637 3554464.98 2740932.437 3743651.671 4548710.7 6268718.426 8603080.912 4253453.849 3004384.391 2487269.151 2070138.04 2331658.132 3125617.165 3848758.831 4668855.922 3709608.316 2762633.83 4336176.033 6721704.495 4631936.757 5036181.719 5137034.064 3560818.118 5107253.011 7580013.172 6492208.361 5183522.367 4310576.094 3179076.687 4371973.836 3946302.299 5894456.921 3244049.026 3534584.969 3309479.084 3865113.025 6331346.914 4501831.072 3248171.489 3092401.57 3706423.539 4214939.819 5682240.977 3627307.331 4657881.273 3976552.427 4489362.645 6904762.502 9725587.651 4759798.878 4499882.338 5093427.908 4896018.036 8687418.182 11134105.48 6267759.371 4999202.717 4887700.945 3852074.575 5952017.499 6562681.271 6390988.547 4371538.226 3930144.68 4684060.82 7044092.544 7763569.605 2247517.592 1597509.514 2010702.893 2712874.356 3086297.683 3275036.982 2195386.274 1378599.79 1398079.873 1850496.116 2684940.286 3493763.489 2229437.763 2902014.055 2492004.235 3075371.202 4855663.519 7897213.382 2864792.187 2589947.642 2847576.039 3286836.344 4560938.259 6744126.314 2435295.253 1845926.958 2371033.031 2017555.077 1997743.854 3189254.345 2193671.182 1597505.972 1700305.401 1967977.961 2586030.7 3526520.556 1069404.53 628321.2265 930459.8089 1560111.295 2046982.329 2533955.49 621923.3733 520448.9159 656326.9215 1885758.821 2737146.23 4712993.578 813481.273 366507.9389 613755.535 1403691.282 2012701.956 3097831.758 1130995.8 1654037.112 1704757.609 2539107.536 4881760.09 10178467.23 32870.46958 1334829.512 1468400.317 2913700.403 5801206.139 8788490.349 893587.5571 278002.5282 2616061.981 998543.5221 645435.2339 5496081.773 1155528.114 165246.3422 726155.0001 1152227.76 1575647.041 2511732.622 311449.96 412893.945 597954.1044 1390026.378 2011781.241 betaine 205779009.7 184276133.2 176388136.7 181328238.8 175032523.6 175654649.2 291204852.6 269262095.1 233982235.6 234357493.3 202720560.6 225352802.2 268505154.1 246243202.2 230910779.6 230381867.2 210299302.5 215233551.2 359010280.6 325543640.6 292882417 242426745.8 263599323 258552950.9 391574040.2 359958016.1 389546787.9 317448559.1 371231457.3 320046760.6 102527586.6 117494832.2 97533738.88 105928790.2 96785877.36 123994218.4 294241678.4 233648966.7 236662675.4 255222054.6 195564062.2 233957043.1 240812325.4 242108827.6 214069051.8 247979773.9 268826737.1 236343870.3 279668724.1 303068320.4 207050629.4 182405171.3 259883542.7 243310323.3 340152236.7 327470322 331563958.5 284300854.9 318438795.1 281022748.4 596185230.3 614042618.9 534037122.3 592788906.5 415748493.6 539687830.7 1032474265 981491561.5 882576628.6 806513328.4 575370368 674297117.9 1250755086 1206356729 1172615744 1134640263 923882102.4 768299377.1 1113726227 1000823064 960258101.8 893897313.3 911564984.8 830167458.9 1048267109 1085683447 1125917951 1074744929 1119560837 995674691.6 2355282730 2251726840 2273689757 2258780262 2229654703 2218032421 2075376768 2155106246 1850873100 1922289310 1931283494 1776579701 2870984363 2843370521 2859985615 2804927260 2804053894 2882060685 3064984180 3084366910 3029206544 2777233307 2954292525 2881513221 2217092600 2216618649 2205223494 2266981021 2051873922 2177770747 2404963659 2287176932 2196282960 2263301578 2194073878 2331149968 99613137.41 162321762 154716633 148867281 160682041.8 161709192.9 58878404.61 109280165.7 105253516 111950698.3 96887689.66 86104004.23 53371644.65 86753986.92 93220224.54 75595087.65 63260121.58 44746092.36 66382331.71 87854535.72 81280139.21 57550279.66 73439839.86 50149499.36 80061795.58 122505187.5 93341324.18 94484220.3 91109036.46 61377561.45 127987643.2 96432856.23 101338689.6 89862300.05 81418567.72 70110418.97 82690601.83 95319496.17 97824497.76 78720379.43 63112442.63 50902305.61 33832804.06 63908484.58 71572745.18 67441465.78 61399526.75 carnitine 362106451.4 349282320.9 316869741.3 279718284.5 305135695.3 267501805.5 320168853.8 306079105.3 294968350.8 226523674.9 246603935.9 234379977.3 340070536.2 331823204.9 302679476 262366259.6 238936566.1 249946894.4 382194942.2 415441572.9 348194307.1 290985420.8 290178587.9 278640753.6 293046330.9 253641554.5 293095334.2 254780256.8 265021598.9 299350833.8 405207903.5 491586443.8 423918566.1 441561427.3 460353792.2 446395491.2 641085903.6 572341368.7 637285548.5 579116693.7 536638040.2 637219351.7 562473687.1 678312039.5 634258662.4 709484921.9 650589344.9 743091395.4 630054959.7 643428574.1 616971527.3 537729089.1 736696707.8 711233017.7 502678961.6 496264060.4 563720454.2 550789628.6 564219017.7 556213805.8 409503831.7 414880101.4 353201410.1 401096509.3 397703996.4 446472368.9 481457358.1 476479576.8 407332303.6 399051425.7 382738613.2 425469103.8 455348410 444744866.8 496417794.6 435030913.5 430148310.6 418932253.5 489275484.1 493639818.4 379868733.5 359769880.8 392226786.2 505845692.2 383226178.4 311864316.9 386939945.8 397026743.4 483162830.6 354674913.3 2942732757 2873306899 2857897778 2919981096 2904350537 2933495576 2454315124 2418146559 2127404245 2224168326 2325729628 2242508509 3125321733 2876783969 3152029412 3056516851 3045057333 3447721408 2814523272 2898069932 2776254646 2606452799 3096267977 2878842372 2093884655 2240845146 2168923526 2298970779 1977026398 2238503759 2158851417 2033990299 2019322794 2064243852 2052651960 2055965942 48044801.88 73997362.5 61322306.09 61332680.54 62191780.21 70779696.35 14704051.26 28155543.59 28476092.81 30702616.69 32091519.85 24335509.73 35155436.17 36141634.86 41560681.24 27717158.98 34679481.47 30774305.39 25296301.94 22053079.55 23283836.51 23033455.3 33211537.68 32774652.57 27897887.94 43395046.99 31076978.13 39411532.51 49514126.15 36228440.14 41518312.03 57975420.32 48944944.28 46688851.05 65713358.87 41207148.65 37575223.77 50201132.03 50938707.66 34890136.57 33729134.7 31408773.23 29808727.11 27510280.66 25000171.12 25326930.91 22051500.81 CDP-choline 1335118.828 3549186.404 5598647.502 7610575.51 10772555.46 10213566.01 1866865.787 6484997.774 6994009.153 7434629.254 14774761.33 13352966.94 3214046.749 4883434.729 8119666.084 6845785.784 9906223.605 10945691 2521935.257 5215870.004 7030755.326 7083496.939 7042198.48 4629674.835 1831545.91 5475061.443 7603252.95 10788490.11 15215047.48 23850869.04 693994.6503 1650820.57 2000551.71 2366600.136 2428379.76 2997915.501 2100373.878 3934086.324 4003709.554 2739277.569 5013272.902 3939801.534 2843316.79 3115844.8 3478451.923 3749307.197 4365896.95 3651005.712 1896486.759 2855715.113 4151155.84 1904789.238 3029084.514 1568936.857 1240521.816 2683399.277 3344903.226 3251711.308 4971803.73 6837692.894 3462256.098 7955870.52 10384782.61 12695400.04 11335804.66 12650686.44 6820696.086 17254468.94 17267114.68 18163106.19 19177435.13 17888140.15 9809053.473 12934485.16 18580807.23 17617860.96 15789322.63 17323753.92 6197825.78 9259265.745 12995004.97 9180374.249 11028777.82 7963820.485 4805478.946 12236716.75 18931085.26 18931985.46 23734432.61 22074547.25 3792310.825 3677056.154 4731688.232 6648353.467 8569435.645 9575298.301 1698358.655 3109660.07 2990973.346 3929793.39 5994054.5 5781754.084 4550743.971 9021814.48 8120985.184 8422486.41 11469300.61 11531348.8 5714753.262 5597530.627 7110999.98 5781275.187 7741439.79 9434579.667 2318777.818 3756561.889 4779821.052 3603479.246 2562670.199 2461874.592 1795177.855 3632075.904 4041117.842 4637060.404 6727169.355 7562343.183 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 choline 322743.8416 69773.48132 94671.40209 184246.179 296933.4905 154572.7019 81873223.63 119498625.1 109576215.2 96540517.6 110545784 115391481.9 93851127.24 124630279.1 109656592.5 98231851.81 112719471.1 92406811.62 190295.1804 127733.9344 78946.36701 105589.4184 42774.94133 83145.83532 270028.8819 222158.7614 186734.6835 324152.134 197016.8137 213773.6375 176469.9047 363068.3364 247394.0004 342147.3518 154277.1536 275518.6536 130067004.6 146871605.8 109128235.5 95008020.74 124904277 147080120.6 123754736.3 167260485.7 134809905.9 104431127.1 132061779.4 116130893.8 387861.2338 172133.676 200320.7644 166444.1912 361836.2495 182892.6869 455929.87 492151.2601 262711.4876 469921.6706 434108.1968 486597.4018 689655.4826 486282.8522 572348.0231 631634.7784 667003.1802 563174.4627 83267035.58 89640977.74 43255275.36 41921628.28 69759679.16 84226695.06 87706927.67 59651239.93 42104879.71 36751788.62 32838672.67 30681672.17 895945.0942 602195.7371 555978.3885 554438.4339 663898.9762 441142.0329 1167763.399 696802.6606 709728.0126 1045240.729 1100004.852 818356.7917 96045.68113 59606.61446 52963.43836 99790.70419 67680.70907 65560.56395 294441.3947 94310.6137 149615.8476 145178.8303 165560.4181 120829.2261 251505825.9 143527145.8 118518981.2 139914336 162162997.2 134241811 190764729.1 124458884.3 124069538.3 111075667.3 109955676.4 137670623.2 25549.63597 60962.82495 83250.13453 107643.5936 51228.31606 70746.28602 205670.5577 153554.2441 168803.4107 88641.56586 173151.7833 84613.44173 4853.919389 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 7168.430586 13979779.69 15590331.77 19898615.38 14075307.03 27983251.96 7056364.88 9072801.958 30942859.79 16635100.17 17966888.91 25564298.85 7211329.493 0 0 0 0 0 0 0 0 0 0 19874.50084 19077.31322 4371052.485 6832444.765 6459856.447 3452360.002 5006272.726 citrulline 7215714.271 5800798.849 6388054.099 5188638.699 5728534.295 5630675.444 5745651.851 5420716.942 5146484.958 5498927.929 5668912.854 4893752.685 8210907.536 7755578.556 7718703.414 7803241.851 8225867.234 8566869.898 7964885.941 5492280.177 5464693.999 4853582.65 4750926.079 4532193.16 7742459.949 6290020.287 6381950.62 6344748.097 5950552.085 5456554.681 2661447.667 2377399.265 2391589.4 2175695.794 2320216.48 2784020.693 3365313.048 3855943.619 3809816.337 3926863.953 4370276.711 4414653.464 5305870.162 5982672.609 5661907.674 5610299.381 6084243.528 6980895.64 3910878.306 2493203.409 2143566.776 2114609.649 2964202.519 2628940.392 2997692.532 2272709.391 2722432.217 3019996.611 2977645.051 3352414.783 2113239.475 1709659.181 1887528.848 1933441.696 2074756.743 2509317.639 1839052.61 2095325.524 2695269.25 2903671.711 3452063.256 3742318.415 2797554.502 3853867.491 4292673.273 4146031.433 4807950.746 5654172.895 2266822.762 1349863.724 1377121.149 1517882.534 1771941.907 1968502.162 1890065.24 1347833.431 1691946.96 1856134.665 2259699.687 2661043.772 2730635.029 3428315.258 3659483.838 4878312.455 4963593.445 4743953.031 2520288.332 2667531.717 2999393.299 2876005.694 3407195.571 3336959.016 5563387.046 6578674.349 8018137.564 7355011.484 7361896.446 8280543.649 6496493.773 7733282.249 8304087.117 8142784.631 8541103.373 10214847.79 3112190.101 2039668.191 1915132.213 2220109.906 1518711.918 2648358.588 3498595.787 2648898.858 2960498.594 2537550.927 2742312.603 2755325.372 2509459.708 9128534.477 8017465.756 10672327.72 16632944.18 13146854.82 7326853.043 8134969.619 5348108.403 13476076.07 12515559.07 11424342.99 1743518.695 6998018.946 8143859.1 11664373.7 11724927.23 10338891.88 3216810.773 5334660.454 6028401.193 5191598.384 5900491.763 5074633.353 3120534.08 4484340.759 4206977.771 4246774.243 4484901.869 4365244.668 7616796.756 4178905.031 8941909.735 5508555.197 3488798.482 2731833.37 7000425.054 5993983.555 6776059.105 6354474.771 5482528.316 5793078.607 1577956.107 2848833.888 3603235.453 4660732.019 4245689.188 creatine 1717719173 1673003619 1709508585 1638597482 1678415854 1739948658 2087348522 2161207730 2181752659 2270602479 2272116900 2164572766 2297825307 2209422158 2200808438 2138220165 2288215689 2240844080 1772165990 1668828667 1667075756 1674295196 1719099993 1647094363 1729505856 1755458874 1918260886 1828724649 1844173582 1892725826 625339741.2 771673868.6 692848243.6 682491678.3 727799986.1 860144586.4 688492982 637473011.7 941558887.2 824988577.4 1014057699 722692943.4 899142037.2 842486166 707313303.2 878420405.4 942712236.8 878607919.3 742511000.6 1027863319 760254760.8 678966046 921305952.1 779301788.3 632272927.3 605416464.1 799748685.9 829872251 852466443.4 1094605241 978664548.7 1037353868 967886997.6 852710461.4 789995213.4 995075778.9 1167401181 1185170582 1095505109 1144174316 1055457648 712134114.9 1285483102 1192400079 1267598845 1108632015 1093562437 921074587.4 892111138.3 770061514.3 677042929 745089068.2 747338211.3 747345345.8 858588555.5 850126887.3 895261877.5 814887268.6 730681915.1 721582969.7 840979460.7 731580884.6 724248348.2 763121892.1 783922629.1 741601895.1 763137492.3 702929823.7 594585570.9 611528153.7 639144065.9 596357200.6 993162682.9 928350948.1 860116358.8 958005323.1 861785031.8 867165961.3 1043347210 850218083.5 826177205 692047678.4 769985347.7 735277596 715896259.4 677466348.7 716019093 674752656.1 522704554.7 635602781.7 762153006.3 761009990.4 843609358.7 726721259.1 819240296 811589773.7 180014247.2 164774404.9 158225836.8 197060698.5 251303035.4 354218480.1 158986796.6 184421997.3 142397522.9 255053421.3 230897683.6 245273048.1 127957944.1 134293885.6 155841645.2 167968000 171585244 196947799 154966506.2 194389834.7 184889781.9 198627765.4 219235305.6 236750507.7 131093105.8 172319597.6 147870739.8 186152970.1 329743708.5 256696148.8 163634283.4 118906831.8 190280102.9 137604624.7 199715439.2 164700881.1 154582331.4 170764236.1 175729074.4 149053569.5 177522785 195882317.6 105173233.1 119030076.6 125524255.9 163876851.5 153104841.2 creatinine 11433340.21 11831501.19 12472189.92 11248132.88 12999961.51 13075833.72 11587689.49 12328831.59 11503048.78 10561883.16 11297949.79 11985869.5 15847610.14 14767247.53 15682579.44 14368557.61 14252350.15 14581572.69 13859537.49 12618508.23 12272371.32 12513823.99 14185664.92 15052804.92 14763969.76 15156146.67 13808615.26 13966555.62 15177310.2 17073136.4 9356597.859 6372779.749 7367613.921 9560117.699 13427217.51 7748607.055 15623765.4 28747198.5 15395991.36 13700402.78 11167250.53 14682813.58 15300686.71 14561686.36 14587353.85 18121821.3 13117953.78 17571793.47 19159836.53 4032692.286 10801218.44 9433420.737 15336384.07 14688315.18 21439091.04 22608667.39 18861546.52 14280047.79 18058013.63 12443444.76 6010722.134 6363650.188 5979531.179 6267015.614 7058475.371 9913468.648 7225502.259 6498840.023 6738753.685 6455532.52 6437789.342 6917560.724 8115023.268 8429573.523 8413841.247 7975177.611 8130620.767 8516967.213 7110076.44 6570366.728 6875744.76 7604750.794 10824184.44 14422387.13 7308197.785 6858513.803 8144934.963 8752271.619 11717286.44 14102696.38 6243112.618 7285462.949 8010088.731 12868468.78 18324767.18 21847718.16 5710071.316 5949307.644 5353595.459 6924333.523 11036676.5 15401845.36 9082667.027 10150252.35 9786471.076 9740580.831 9556143.14 12045749.51 10806848.15 9430013.372 9922786.575 8839030.46 9942132.591 11671199.62 6717477.745 6912194.118 7021366.565 10232386.12 9490885.056 18193340.26 7642212.236 7840735.221 8512714.61 10075343.18 14500973.07 18293070.15 8503663.927 5820229.93 7345550.492 12424673.65 18007853.9 23198050.49 11023685.15 5558964.24 5138609.783 12175349.39 10841150.45 16379671.85 8511952.445 3886843.025 6482467.5 13600306.46 11414408.29 17711653.7 9297733.203 12127858.13 11871398.32 11336601.03 13595125.74 13284083.05 14329933.72 14832781.04 13015634.79 15536947.21 17454699.08 17010727.87 11533044.2 6678164.583 16935634.3 15805824.15 6833798.95 31158070.66 11031902.05 7743125.728 8740069.544 14088321.18 10880506.1 15853453.9 4483074.798 6210642.579 9363410.693 16337186.05 22674640.3 cystathionine 26351.84637 11817.63723 13878.04711 13041.50221 20087.4005 22475.41345 649956.5049 672417.8057 769911.1223 869586.5385 761855.8583 636537.4673 683577.7008 658530.4667 693510.6333 556636.8802 646721.0546 561105.7663 17658.35502 17940.66213 14464.76062 16356.12051 0 19210.46574 24908.02252 21179.67016 17235.11162 24450.04757 13254.88133 15947.44384 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 63977.95746 81460.03126 119694.2728 26473.78158 138587.913 0 0 80347.80501 19203.2599 93448.75102 163785.8132 0 0 0 0 0 0 0 0 0 0 0 0 0 30059.48985 65560.05442 91352.40787 193610.4401 cysteine-glutathione disulfide 0 0 0 13112.66713 29316.52671 44962.31333 246140.6923 864276.9726 602726.9947 533015.9805 1917898.873 2813899.685 297328.5824 610347.5357 853676.2402 856597.4336 1367957.056 1502896.906 0 0 22835.44108 15962.40573 0 12658.55562 0 0 0 28643.62341 0 66839.6487 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 28453.50009 40047.28691 26684.99961 23994.74538 33531.34991 39898.24305 25557.88607 38054.30505 13989.88901 40213.31667 31826.85086 31587.62662 3295824.031 577522.0941 1055575.545 739928.5117 2674407.27 6001477.276 1256172.067 547962.863 623000.7196 836958.9547 979348.5485 3361409.571 10389.82262 21465.35581 16120.30897 21435.29008 11734.33688 17203.34663 14679.89961 27530.96088 46940.81117 18964.62701 23498.06693 36727.97634 69526.57441 50562.84352 40002.5431 67629.38935 64344.03717 46415.15937 0 0 10437.50401 21624.62585 25332.49615 0 19947.91499 15276.53697 24616.61647 0 19036.31363 0 2870996.409 700773.7166 1612131.371 847308.068 450230.7465 379010.1011 1680636.324 2454435.014 1367911.302 535328.413 1220858.669 351187.8296 50289.03695 29708.27656 0 20892.78193 0 32543.14176 41339.28413 26566.20862 49997.77935 28635.90933 40589.01579 25415.56261 0 0 0 0 0 dihydrourocanate 65317.75555 54195.97893 64091.43971 59983.3935 60870.05472 105930.9874 522374.6497 528994.1898 460229.7896 536630.1 428848.317 425524.392 760641.2878 674767.6962 610800.2328 538530.9112 533347.2584 525150.4069 157197.0755 182398.8684 171407.1661 173763.051 145196.0934 177284.7508 136883.6693 181201.1874 202621.9307 182943.7963 225654.9204 218977.5886 157366.9877 81111.54995 56812.16689 61817.11664 54568.09985 61783.28108 764013.3437 678138.0136 771946.5415 824348.8066 694251.8727 760349.3534 1157712.836 1122050.393 1100560.191 950929.5927 1187439.997 1115842.321 108486.0112 158232.8536 105833.2343 104870.3373 208602.3548 126328.9114 100220.5941 448828.0488 294269.2823 228363.6929 409340.8844 219726.2097 121446.6344 808595.0219 554173.1601 484293.1984 43973.25357 129050.3911 2408802.024 1563850.31 1648830.441 2262336.536 1326185.095 1288899.221 3285861.634 2957722.666 3330841.34 2429729.97 2661792.82 2151477.121 139562.2198 568302.8638 68882.58523 63728.71823 65600.33917 76766.40342 1752665.762 1340978.986 1590918.747 1247513.071 1131960.525 944802.1703 242980.0913 218071.9537 212144.2373 251331.4793 309134.3635 316511.0215 118473.3272 729126.6186 95738.66484 496782.133 119839.0626 111451.7983 1466399.207 1258759.272 1272342.134 1403018.003 1358035.885 1819002.867 2265659.348 1692371.551 1720346.905 1414368.693 1818897.701 2031408.486 143929.1556 100925.651 123475.425 119259.9178 86379.75621 128183.8054 946469.8835 768982.7217 754985.2045 709617.6113 858336.2634 870414.9685 140721.8583 98338.9894 140249.4318 153630.2459 202724.7157 1154606.391 480984.1536 461464.9054 823472.6882 955313.6082 999859.7192 1464541.995 58277.717 322263.6487 503426.9184 512995.3645 633110.2539 922526.2015 457795.4797 532217.275 642652.4299 698271.2812 773111.7412 770522.464 967773.757 866586.7163 918502.8885 1156977.081 1333763.808 1363167.248 497643.64 355533.5155 547528.9762 514846.6914 40796.10702 968736.4594 546239.9592 396669.7649 423635.9817 505655.3521 768634.9848 996192.2533 600078.5825 594594.8354 814121.4554 1307782.041 1635891.897 gamma-butyrobetaine 5944624.051 5481241.724 5074845.196 4566655.55 4671734.191 5428215.39 8489669.389 6935489.674 7595839.521 7747905.793 6654644.78 6596902.71 8604083.379 7160102.976 7980616.083 7118789.751 7362932.175 7227416.577 5500185.929 5470117.656 4700183.286 4269862.446 4612734.036 4482885.955 7269521.14 6045798.279 6537870.035 6473445.995 6224839.326 5477179.042 3803228.378 4661007.917 3940631.672 3976958.907 4457444.78 4955298.78 11225911.03 9290218.479 10400057.93 11158843.8 9322696.808 10559650.08 9775202.966 10608844.93 9855854.267 10936112.79 11758730.08 12076504.94 7276754.469 7606647.674 6728959.375 5403747.774 8906666.826 8088799.501 9518753.754 7844341.498 9489653.492 8688214.42 8770595.14 8239233.429 5026226.175 5225860.697 4736662.909 4759323.232 4809972.841 7293532.042 9471318.417 8942847.082 7812271.595 8705336.332 7607780.724 8685502.464 9567251.288 8138644.447 8043334.216 8788229.327 8354260.143 8793656.579 8927620.128 8447965.889 7155010.501 6264013.217 7926521.913 7968118.342 10160563.62 8147427.685 11347271.04 8683820.76 10596011.05 8842413.292 49500344.97 44556380.61 43816461.85 45884453.61 43909964.31 48012712.68 42800394.63 40889405.99 33291782.6 36838039.51 37933123.18 35994237.25 93961934.38 87996868.4 93374796.04 96488931.51 87253319.06 109924842 86653846.57 83830078.09 81168723.46 72367230.69 92288899.76 85986278.29 43734756.62 45186152.32 44315314.89 47069795.63 39266966.01 46590683.96 50716291.64 46258899.08 44774700.97 46775035.17 48255914.31 48983880.76 3679988.343 5414120.773 5218285.22 5280562.526 4890584.725 4653802.248 1118351.848 1387545.645 2639531.532 1923055.367 2175412.612 1200906.946 1352148.894 1449772.56 2680570.276 1345066.407 1949385.088 828120.2685 1678681.15 993480.339 2449096.242 1331164.517 3613627.375 895790.0236 1774971.068 5610593.582 2629055.692 2830581.222 3556614.591 1185440.841 4046527.505 6712076.449 6071705.02 5503669.778 5236586.069 4358309.834 5081209.929 6207716.702 6685318.408 5317870.28 4038084.24 2705940.681 555606.597 637922.6069 749071.1079 738417.1242 1138992.184 glycerophosphocholine 142793707.7 99191611.85 93365772.44 93039217.51 93677538.93 96078637.97 177067057.3 159250415.8 153458732.4 138475798.7 132866046.6 151041276.7 137724342.3 123414367.2 145754153.9 131778414 95560434.41 125363433.4 185533383.7 101649874.4 103496864.4 83729153.11 83097237.98 79085727.4 187114464.6 111149664 99713709.59 113813086.7 99936128.08 104344466.2 362770623.4 264818248.5 231517236.9 247553214 236262425.2 183242090 596571916.3 559547798.1 477430793.2 540776957.1 418916453.6 548792747.9 406317784.4 478540831.9 593186291.8 552279160.1 434681778.1 540417334.6 566462311.8 196837887 302972956.4 257205015 294316943.1 301231679.8 527516389.9 350135818.3 289718462.8 306631913.4 316552397.5 250441627.5 255555918.9 142882823.1 143523724.7 156190297.4 168348634.9 181318723.6 409388494.4 324534051.7 323390676.6 335223331.5 323688223.6 462841792.2 256157896.7 251640397.2 294363646.8 296337220 281678549.2 396547086.6 400114150.5 196764674.5 218388756 170135694.6 190210807.5 188419045.4 462220673.5 204019876.8 247688702 245637514.9 294036172.7 328851787.1 336843030.4 148530912.5 129814733.7 140656920.9 155080535.6 143412981.8 293085189.3 145855955.6 170412090.5 185658997.1 208230277.5 241388931.1 518071734.2 392294776.4 455213478.3 469678994.6 429321213 397559613.3 491767616.2 373018943.4 391471888.4 442788503.5 385248234.7 496483169.6 485095694.1 144082794.8 134679281.9 122210545.5 114577506.7 151183768.9 337576876.2 144515995 125121203.3 120838702.1 113052581.3 112289770.1 39616408.5 31936670.35 30576910.69 39384969.86 31347348.2 44152727.88 19003941.48 17278187.41 26259707.18 11373191.26 26191325.59 10885474.36 18547275.39 13823474.06 18028004.05 12221274.4 11219008.6 4778557.691 15990701.4 13048361.76 18618176.14 16125595.61 25388547.45 7530630.531 17673382.42 38118638.25 21019938.49 24430170 39926014.08 10277912.46 63102996.25 42425512.3 65950749 36159061.5 27953805.78 37822638.32 53215457.35 40875497.06 53887408.08 40323016.85 27393772.25 11403386.23 6080616.21 6556060.489 7939179.348 5839508.891 6976022.503 glycine 294552.6724 386145.1349 340402.412 432888.8449 484928.3307 401705.6614 232191.7929 290430.7232 288112.1522 281220.66 412876.3848 407625.5228 297388.6622 350723.6464 345589.2094 360349.4577 382467.7214 394542.3606 361325.8353 363782.3939 395409.0644 421644.3393 416080.0516 330107.6239 377788.9889 437840.3374 489874.6728 521785.6314 604938.7327 814968.5643 321287.5798 380591.7753 366151.9921 310199.4575 337874.6531 320869.8536 294522.021 410703.5937 615572.5716 205758.907 325969.4579 452756.5796 406467.4943 497247.0231 538992.1616 423633.7541 351336.9177 356390.4559 547686.3414 498750.9452 607888.0577 467901.3986 592560.6549 346648.0986 476828.0734 475716.2837 631318.9218 577052.2974 720542.0174 993688.7644 967668.6363 1224414.476 1332362.318 1399949.548 1448196.668 1255675.217 923622.3619 1315283.942 1237819.395 1302672.521 1566369.184 1689414.79 1083376.877 1378377.524 1597926.192 1658492.518 1671900.815 1771023.012 1052331.845 1106965.06 1358668.543 1306576.472 1592150.899 1485463.296 1225372.284 1409069.761 1600920.044 1796588.32 2257117.042 2096042.201 225344.9308 199068.0349 244749.3228 283906.5006 314830.1437 277007.7603 230462.8206 210670.65 132192.9452 190819.0459 209968.9824 174803.7541 466788.5969 486313.8912 491700.3885 433608.1177 509168.888 616924.6511 530461.1283 493246.656 493675.6605 343322.7028 533340.2208 442373.9032 235342.5977 165296.531 220049.4869 162010.1202 132665.7445 205090.5218 184145.226 236971.6854 216721.8416 243251.6938 302412.3392 302752.9785 0 139579.7824 214005.829 155376.7694 183530.989 302256.343 72809.55767 1543474.271 463687.3091 254206.3617 165986.1167 74928.53522 0 77575.32558 63968.61583 44628.42178 78485.20861 300008.67 26075.73203 28997.85614 55265.07195 97321.72884 45412.64403 16521.26812 178710.6011 70318.7774 241530.3589 174295.0022 123810.3832 75584.59792 71582.50119 110960.9101 140646.0036 97186.06562 96048.83055 0 159026.069 94658.84622 109465.0987 103659.9586 65187.0728 55216.61171 0 31750.10205 66138.89251 380579.8235 55120.20457 guanine 617590.4478 485381.103 558333.5882 604657.9969 741603.1115 673284.2642 1232635.531 1351317.808 1166863.147 1242718.092 1568461.121 1637777.782 992682.6087 1157071.817 1155844.047 1119791.435 1143530.264 1240185.112 1101705.841 944764.0561 1267962.408 1260512.307 1293602.135 976643.0707 690009.4598 751657.9887 756753.4076 959567.2915 967255.5094 1259949.037 365230.625 364329.8838 311433.9455 303678.4022 332056.8838 343570.9588 1173909.135 1296758.079 496641.2808 952627.5934 1045776.027 1183421.232 559505.8286 245877.7951 407684.3568 224014.3935 372218.5208 293392.8303 906358.9117 1082963.317 925184.6627 638457.4617 886356.1187 587651.3847 489540.4712 628542.3656 531467.1414 581054.9771 650114.0541 806897.7539 1384286.136 735230.3212 707838.3346 387474.5493 240665.4576 128542.1339 2895405.844 1800609.827 2567929.742 1531802.829 671668.7046 615098.2122 2361731.953 2081064.157 2147945.192 1844552.343 831565.9801 718519.6432 1206565.834 815218.0454 600374.8801 512992.6504 422030.0298 356794.0338 1715476.1 833608.6271 759450.3961 278682.7783 164766.808 147648.5136 0 0 0 0 0 0 0 0 0 0 0 0 88448.27411 242613.4224 232008.8149 20150.36127 271437.7745 19898.62005 266953.4349 156139.9529 293692.4378 112853.9613 64979.13094 167800.8284 0 0 0 0 0 0 0 0 0 0 0 299903.3467 163045.1195 11425.47892 39288.03096 47743.26482 38466.0532 61477.22827 139045.3372 24000.76666 0 78189.38435 11942.13764 31480.98492 125275.0823 0 11206.94728 190172.861 0 0 570776.0874 798678.2161 757105.9525 775717.4646 802568.606 683020.615 561999.2753 581214.3609 665963.3362 642455.6629 712261.9263 579736.6532 245900.4292 0 311438.2851 166471.3265 0 166455.932 186789.5405 0 27763.27132 95959.27676 0 0 227983.6067 232274.6193 294953.8711 338289.5019 300568.6527 histamine 14287.3952 21019.1835 5703.49141 8703.842812 16592.22884 12542.25688 17456.39769 23604.43564 26506.00589 61579.40514 81178.65057 86698.32093 39387.46275 29840.65518 44132.65236 47094.49793 33958.28932 73676.14666 8778.399006 8150.616206 11761.73139 16973.6935 11672.23235 20950.77779 8471.105256 15185.77366 13017.93237 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8531.152237 9671.401697 9101.431132 15064.8639 8286.836947 20019.33773 4629.892299 20536.57446 15180.25179 43724.90692 0 0 0 0 0 52044.71704 0 0 0 0 0 27026.43871 0 11736.84553 16388.47383 7880.00807 35202.21739 6224.428061 16579.99857 24846.00527 38198.01195 17205.08803 16884.29325 0 0 0 0 0 hypoxanthine 4608348.381 1130550.48 982108.0831 1496604.415 2306606.232 4544726.29 3756690.504 1209059.269 1126820.873 5157196.005 11059188.28 5873597.924 7727449.438 1110329.546 3117685.778 1775439.232 3020295.377 5141429.244 12418375.38 9559154.998 11046587.45 3256259.302 3826042.042 2715376.483 2806418.893 3711975.617 24981718.17 2535221.727 4377630.345 42901297.16 4929478.534 3346616.86 3634613.037 3557558.811 4204877.007 4561067.955 11286067.9 2992973.989 7530949.165 4440534.291 6460644.187 3980014.137 27531526.67 3929833.069 5072980.489 4654739.129 4238423.66 4236407.107 11395810.65 51429370.35 13069910.88 2559838.581 5350726.49 4680445.358 4982959.259 4646258.352 5976207.803 4177566.804 5683782.06 30556682.25 25240962.94 13828994.38 12382314.78 15563495.67 14520862.22 21801563.1 22165565.37 10465899.26 9969559.687 29463199.17 41712706.32 13843420.96 32923582.09 11507837.46 19487572.82 9670873.296 8692696.664 16798980.28 45274035.9 34037358.41 43739192.41 14684844.38 15199074.54 9175422.118 24392241.36 15965709.07 12244645.15 12863995.49 9856144.671 55550408.14 36149001.84 22765182.79 15046935.25 18510183.11 38400193.19 49771701.35 65051898.84 44278618.53 56875228.44 34921035.75 38470364.23 30453449.69 81652131.1 15457682.89 22042603.97 37875401.23 31971382.04 34736852.21 79998980.3 42339588.28 62840807.01 29978882.75 44271519.59 60579257.32 26399874.2 29295311.12 21366125.36 28235618.51 13094119.3 18133034.72 16723059.26 21778187.25 34186438.79 20986992.07 30240852.38 32861405.83 40786498.85 1024737.864 831311.5196 241675.8203 2386439.609 4966123.326 929946.5831 0 0 405733.6268 325806.1016 1923479.145 47713.70676 0 0 37298.17461 0 395385.4244 37435871.42 34123985 29435670.58 28985555.97 22643554.97 790634.9698 41281644.04 11262092.86 25979893.49 21519540.14 14736332.44 2197187.557 88247073.92 1919147.68 2246711.909 2305577.626 2256079.517 7255681.053 18454385.3 2751200.124 1045024.481 1266828.277 2494660.347 1201647.592 35324.73292 51152.73116 128143.6015 95664.18447 656785.7675 imidazoleacetate 54565.01965 29627.78642 32041.41126 28723.42334 25495.12266 38693.99367 104983.6151 103395.4173 124027.5893 170687.527 143944.657 145136.6657 131678.6555 116474.9115 130895.6533 141650.4289 113573.7767 146245.3593 55246.88064 56588.7599 41477.86047 40158.21237 43923.08819 48740.25845 109515.0083 77880.26589 102816.8856 90533.1151 102853.3208 58602.84535 73502.29986 137155.4215 107310.8617 134725.2947 149471.6764 184089.7096 137434.5655 144104.7297 220813.6426 293643.6077 264646.0353 332877.0663 186535.6794 216260.4441 213878.1177 249925.5957 301625.4982 395246.4342 118270.3997 143178.7893 174249.5722 123789.6902 188927.1974 141713.3011 142602.4186 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184148.2653 46005.51029 76880.41358 183384.6947 166935.6849 343094.2243 143386.9871 283107.791 355393.64 277175.1609 135613.334 129774.9997 265961.3313 500120.5139 519719.6209 490631.7345 544252.7238 395676.6861 271512.3037 14052.8727 231974.0545 174098.9836 76281.63 517463.9573 200494.1663 73873.81513 62731.05104 190578.7098 200898.0331 411159.5018 194562.6009 328769.6654 357314.9109 377576.6154 201559.1395 imidazolepyruvate 154473.6076 27027.30492 22035.97977 17076.83226 17411.09704 23664.31318 38572.53053 46328.31306 44987.08634 23278.84247 38775.20029 31123.84617 56545.37944 35982.77355 59519.88742 53250.73528 20442.51589 19753.22619 189841.5852 100155.4979 105539.9009 88661.73069 110974.1499 115621.3148 318081.4611 36892.50078 38451.64898 53795.49659 52998.69819 38568.88598 155096.0122 47882.7134 38644.415 71521.95163 65685.86031 66694.87233 547518.8424 1375268.181 712812.0774 147596.6761 277281.1433 326237.2189 1025718.342 672873.842 369846.7419 456732.2524 163002.4732 330001.4925 207136.9772 99501.4918 110461.1008 148451.883 214259.694 192033.7969 294962.9969 70457.35998 97188.63559 119759.6808 128951.8947 130919.2904 198071.2391 27772.58756 22021.16016 25025.30408 28218.9967 40261.56572 56139.56243 74119.89318 84902.95207 109230.3115 118554.831 110162.1904 216149.1391 234944.9324 258917.9923 320131.4065 213382.604 263780.525 180150.5314 118934.6743 107608.0911 166926.4048 204397.6993 179581.2432 311367.9157 39550.60296 54638.40197 74572.92036 68012.28674 52533.1523 273470.916 20028.24709 15844.82144 36346.14957 34359.16678 33924.19527 286673.1502 76790.97303 65095.89991 86549.0208 127111.6596 171687.7855 10757.56979 5787.412017 6397.253052 9099.542933 9900.710067 0 0 0 0 0 1017.60552 5113.19227 273788.1696 231162.0497 243791.7917 291026.4896 254021.6049 387272.0273 481806.566 167422.348 201201.5811 206470.7257 251105.2474 244073.5384 580860.4293 0 0 0 0 5771.518652 864893.3141 0 0 0 0 0 623898.9799 0 0 89654.32638 0 0 9131.888258 10859.9877 0 4389.20362 28485.97633 20464.85047 0 0 3277.819452 3230.307829 1687.516821 0 709559.0938 0 483421.8865 200000.5617 0 949277.6079 819585.4141 0 0 157597.4981 0 150853.9298 0 0 0 0 0 kynurenic acid 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 274998.7424 277722.4264 255209.0253 190323.2974 409087.1971 398911.0216 251606.3492 262072.5526 230087.1729 228132.3509 289479.4431 251076.4825 326639.7938 276052.6072 171054.5311 268940.7668 143611.9938 295071.8895 281770.323 232407.9128 426627.4963 269744.5207 359055.1887 391641.4855 522458.8479 297299.9672 418988.564 420681.3695 416537.592 206302.5169 439796.8721 407378.7243 494719.0298 754369.7373 912004.9256 769413.4088 246131.7488 179203.1739 146851.881 213095.557 314926.7681 264593.2203 193117.4911 144532.3334 146262.9547 64120.76286 242890.5182 314598.872 186519.4777 43533.68706 318013.3883 130605.7884 175263.9431 862806.9297 190991.4354 517592.8731 220327.1742 949925.3442 517612.0111 665699.3736 335969.6321 278892.9492 134352.1743 200163.9993 246072.3102 424095.2556 106164.7652 268957.1844 78858.82545 84947.67724 352691.9537 150391.5262 182224.877 316407.5901 231230.1778 158054.7806 158766.5217 216736.3851 185069.0125 163227.6299 170774.9931 115273.2317 170796.0353 221802.8409 550813.7528 243596.5551 348523.6609 261804.1644 524837.7136 421314.8466 500783.3983 683203.2571 86810.93866 689102.7996 712009.2836 1533367.783 66055.5887 178987.5062 24539.92281 283434.6973 148353.7311 277714.5008 82215.00702 94739.15889 0 217359.4268 34689.03772 0 13952.11468 0 170327.5503 146668.9603 256286.7033 156217.6579 113132.8459 307340.6829 211734.2644 90421.28684 114270.2829 119436.802 99437.07365 256981.6008 172782.686 112046.0253 198823.8712 166217.3465 108059.5282 42923.5956 77696.88302 143181.7612 205452.8383 445426.2757 64878.17785 154357.5912 225550.2038 56270.79411 78755.6824 289817.1359 50926.54207 116781.6031 232641.4901 654782.7286 987795.6437 kynurenine 828722.3822 757447.1973 937274.455 1106836.672 1326776.45 1104724.838 1241392.188 1317961.003 1410751.831 1443252.335 1719116.786 1590131.28 1212415.269 1327958.034 1537937.923 1954917.526 1856815.313 1685103.058 1083168.045 917257.7486 1260865.997 1628088.986 1813688.721 1775615.266 1321668.317 1344457.331 1367695.187 1890109.616 2134320.886 2245041.212 530422.5653 651342.0309 724680.8432 597628.3014 710548.779 592825.8271 1158302.23 1216601.672 1231462.732 1241109.435 1197053.518 1033799.614 1097314.994 1387735.293 1696824.762 1487832.275 1548761.83 1264271.518 844081.0026 955333.259 1205020.966 1281049.117 1881108.338 1349677.592 1021282.615 1041822.075 1045592.285 1403403.523 1522431.843 1834274.306 441581.4901 559427.7423 753620.4385 675539.5476 576143.5765 546092.3577 856038.8858 1084475.345 1088266.144 977810.3262 1198541.741 1131438.29 840233.8767 977829.6404 1162533.4 1225163.506 1102811.903 832214.2171 597731.3849 740489.5166 1178480.013 1238979.369 1404772.633 1084166.832 804648.4488 929010.7397 767751.3724 996066.7277 1242320.51 1480096.904 1086622.098 1125581.839 1200041.788 1736095.318 1762055.105 1288061.5 1210076.007 1475450.966 982521.5715 1521583.662 1944431.021 1691719.226 1240620.462 2217492.614 1826974.418 1903938.022 1880270.111 2183806.751 1693424.735 2645656.992 3043106.08 1708629.987 2737588.112 1912195.948 1098261.477 1101020.083 1554316.974 1593806.793 1215282.986 1649214.855 1237601.063 1742505.176 2014566.979 1742179.739 2084960.104 1906648.263 258534.287 105058.6204 191860.0496 146909.6467 160026.7524 115346.3788 426576.8001 186983.637 131184.0297 193408.6098 169141.6334 164072.4671 416601.9813 147359.8613 180978.5946 406123.9781 107395.3163 120940.6122 283750.1309 529823.2845 405465.1036 258731.8622 209363.5007 225476.8471 385254.7358 432271.5775 392535.9672 0 340685.9811 310633.815 434634.5797 127327.3432 210053.9087 279808.0824 0 301758.1584 382376.7685 162828.1609 156941.9055 241607.452 84323.20557 28244.88388 142204.1481 177496.095 202403.4557 193796.2195 142106.8969 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710626.0725 398939.4123 747706.8 681547.7771 594278.4451 657207.3993 775883.0009 605825.7124 517974.4694 265089.5711 78089.37713 275656.1797 47438.98623 175131.8353 358968.693 100808.8998 109610.2286 119153.5736 0 89641.15771 819220.0184 952110.9618 829423.2428 844622.5751 946431.5124 790462.4262 1289993.435 1294038.313 1142648.022 1264835.749 1170067.152 1057095.545 300594.4937 261222.0315 149194.4154 178658.4624 147815.8407 168284.8652 472341.1598 211287.5465 163573.6324 143434.9352 140166.3923 87607.69756 1442079.817 325936.8888 66000.0118 32873.16081 5568074.053 974810.1653 805421.7035 1821141.999 611227.8473 555379.6855 378505.9465 738115.5375 649242.0631 220242.9607 325905.2375 358028.9616 263352.6692 270816.0383 2232331.349 936307.331 708401.3408 1901590.325 813905.2806 627461.3928 1187981.603 765027.7646 1167718.777 1381491.088 989231.548 891106.3141 608320.7058 173657.9198 159076.5551 252655.344 475658.1846 441480.3286 747595.9025 307066.0671 26506.96188 264602.5103 167807.021 28077.25993 292127.6933 199745.236 600774.5836 818817.5502 217289.3668 leucine / isoleucine 10705259.85 21643606.78 28323163.56 31172044.63 39497466.79 37663044.82 15277210.55 36214733.6 37871949.64 34225900.77 48258885.34 47691155.89 17513940.9 31845774.55 38683912.97 36777981.68 38742108.21 42389207.28 18293851.68 36720437.72 46279729.66 39469044.74 41122351.98 26769389.2 14228159.9 33022670.75 39900172.41 41160415.58 54614234.44 75377205.86 8622391.529 19266141.63 18947757.54 17749839.31 20824819.95 21777851.1 19938061.26 38791427.44 31910615.92 23340349.27 33390844.44 32232052.61 23136610.23 34158134.56 36101936.62 29368603.73 36243210.8 36130215.93 21164165.78 44514636.77 42448854.28 22174724.65 33249622.88 18230290.01 15374925.87 28174153.63 24474855.95 22532218.13 32149325.71 49203737.5 14192290.64 23932180.03 24674006.14 24507236.13 24070081.79 27152167.08 19997130.12 38288339.9 30321051.76 24529483.83 37587966.06 39116657.11 23918529.08 31577579.6 33776669.02 28233273.89 33439392.64 32185901.19 24536648.71 47572033.31 48371997.23 26448501.21 32798224.04 22127420.64 17844465.24 33929197.28 27589259.56 24582797.58 38014733.09 51749587.24 16791835.55 19813951.89 22827691.53 32010149.3 34818910.14 32282590.48 12083539.41 20872520.89 19373711.85 24276636.93 27573285.95 25780788.97 14567048.31 27808504.58 21835454.95 19979126.84 26366298.63 27281566.04 23195965.87 26618895.77 29759156.22 23766989.79 26423474.94 27702938.19 16656575.64 27247576.48 31860700.92 21736737 15698135.52 17710735.16 14470468.75 25007016.86 25692722.88 22576607.69 30576948.73 39187905.27 15226349.58 5100767.17 6330073.485 8591843.568 9110374.814 10142167.64 6260844.308 6199996.305 5487755.368 8395252.961 5706170.436 4848008.561 7983084.525 5225871.74 6641035.904 16966854.35 6072759.308 5343475.437 15388728.6 28110209.39 22078159.77 20340391.69 18874445.17 16289334.99 23083414.2 25018381.93 28013793.4 26808481.04 29889140.56 24943129.48 11227749.2 4214390.98 7626376.119 7574887.003 2546107.763 6924448.265 10833797.22 6514371.774 5105665.402 7762334.284 2940938.147 2679296.588 8059641.233 8895703.87 12535894.73 13931370.23 12497654.96 lysine 18514640.99 20696978.6 23776051.42 26847100.07 36356284.97 35724211.54 24022124.41 29735584.88 32765479.59 38404574.95 53141854.8 53422575.13 25122082.49 28021285.66 28124418.54 30862909.34 34472085.1 41020414.17 26825967.11 29839644.56 31832609.46 35598498.81 38388626.54 31832537.73 23065066.03 29518431.08 40106872.71 41045361.64 47230383.62 58087280.36 9397711.684 15050206.48 15364650.13 13564410.72 16357633.58 20042596.38 27739092.28 29791441.61 28492469.6 28326761.8 43699990.83 40868497.56 28572656.8 31670466.88 30595207.1 27559220.37 35599527.08 39709220.02 20842818.92 26693506.54 25321313.34 24963308.34 33752356.95 25963128.35 15310195.75 20298723.22 21344249.93 25126855.27 31009122.41 41357754.69 21383824.57 30112489.22 28739528.22 24992427.84 32791688.09 39111694.81 34970982.91 42123637.8 36782380.29 37513494.31 58470388.33 66822795.7 26996973.89 31177520.8 36484940.35 15145055.63 35880527.09 43184027.88 30799171.89 46181419.07 46186639.23 26705146.64 34877332.16 34491023.39 138638.3247 2214009.864 122437.6753 82868.91656 187496.5153 157792.0746 15335892.19 18647723.49 20499937.64 29067330.93 28146023.58 29318944.82 16187900.2 20411838.98 22329039.73 24802077.48 28507627.24 30113018.33 43972045.49 45433022.82 44508600.68 48163987.79 58664311.84 69937352.01 34158198.63 31394610.75 33561694.66 36868552.07 37783333.37 47001231.4 20875411.51 25094919.26 24856719.14 25100699.83 19027488.06 27820786.14 22851000.49 29254314.66 29171295.43 29741550.86 34544180.17 35773049.26 45821.66779 23005.3101 49862.80768 46341.14129 51993.38655 69311.43599 31140.37572 41455.50614 26529.38264 28565.22495 10233.67201 31051.37873 22837.5144 32404.08614 30562.43424 26097.05372 32060.97169 28110.0118 30354301.81 49003689.33 50541232.89 51885818.64 52810144.75 53832259.98 26012621.36 43643530.67 45193608.41 48023537.54 51769740.18 46512862.8 17352.38198 9040.611065 15822.70116 23200.98152 21757.96081 20691.1919 5907.839911 34197.74242 35005.8124 4496.427404 11192.70757 15876.07946 5939014.443 9375751.511 12882193.02 16983843.89 17411363.73 methionine 13455230.37 10294145.67 11616177.6 12768339.29 16010784.51 15043497.54 28117650.77 31975762.07 27653913.7 31878364.31 35325686.17 37834988.65 24537715.2 27702502.16 27325962.97 26287568.38 26917813.46 29214344.85 23846913.97 20823961.54 25872309.51 26220359.77 27288638.38 22495654.48 14449462.28 15805099.38 17211178.77 20540908.97 22837352.15 27778947.8 8116808.807 8846090.992 7290270.202 7026865.711 7452202.243 7660160.599 27192364.32 30826964.29 25066869.63 21622075.31 25633148.77 26449237.36 24729544.83 28232061.77 25847959.28 19874466.28 23424675.05 26714874.3 20154900.23 23961708.37 21859199.09 14814048.86 19763198.94 13570752.38 11674522.85 13833881.54 12492706.62 13134757.44 15400786.01 18659788.1 9410194.036 9529741.563 8993753.76 8836015.05 8476089.11 8949987.733 19137901.79 23719392.5 20067701.66 19245827.54 23437812.86 27794077.69 18833940.9 20694529.41 20541180.99 16678618.59 20257743.94 23107347.85 17264539.13 23201160.1 23124123.59 16043697.1 18712365.17 14339059.13 8811820.316 12372903.51 10318524.06 10499326.41 13705606.67 16536494.24 5191737.105 4832932.861 5272462.609 6833008.004 6782935.614 5972158.848 5323447.888 5492759.473 5503373.357 6551100.111 7309271.109 7358196.446 4567178.224 6371898.827 5338073.83 5242265.075 7059110.572 7592517.118 6062709.949 6401331.341 7236151.305 6495016.083 6312558.178 6856680.264 7569902.121 8519328.628 9488550.144 7302914.279 6182633.787 6670952.836 3694786.261 5976912.613 6574689.47 5436058.135 7272399.574 9232504.92 5084068.442 1792179.031 2264117.089 2635599.327 2588140.073 2873702.65 4277555.412 2495096.126 2465231.494 3280192.211 2817169.404 2465827.894 3811948.794 1561224.957 2125661.953 5877627.522 2076622.547 1699733.379 14975411.77 19873703.07 19563705.23 19068230.84 19070306.61 16670060.06 14817809.15 15854164.5 16565498.88 16093580.57 18382595.16 14728179.19 6746625.688 1646151.852 8698578.051 5212692.446 1400885.205 4726001.347 6603900.156 2227873.903 2115876.481 4866501.358 1571608.063 1374542.579 4907009.839 5544831.918 6898794.751 7734371.114 6988545.379 methioninesulfoxide 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 105127.2973 0 0 0 0 0 140749.8884 0 0 0 0 0 103595.651 0 0 0 0 0 2571548.469 3789422.666 2366354.574 3223456.209 2105946.721 5873617.224 2381742.823 1811173.341 1401772.495 1726618.619 2031460.344 5744785.202 213567.9821 0 692490.2421 63250.14173 0 200052.0844 169434.0278 0 0 0 0 0 262655.2897 231036.3574 279932.8744 235690.449 248944.5714 NAD+ 10340141.42 7345667.061 6984774.347 6466203.43 6654837.504 6518414.567 12736834.23 10474978.61 9825226.403 10061707.59 9155530.033 8483894.654 11579738.6 11093137.07 10177950.63 9641427.438 10283244.31 9904876.692 12666625.66 6106990.946 6128356.388 5821754.913 5938308.56 5598896.224 13393519.2 7010722.773 4777071.737 7761083.55 7186060.617 6690757.187 590960.8233 338216.2261 390839.4454 362552.3721 274757.7389 336231.4379 12972824.82 11653476.43 11764463.32 14351858.82 12713280.45 14026975.38 15278359.06 15904748.23 15791009.07 15537843.14 17153296.26 17962009.98 530070.2718 0 510016.3697 339710.1927 464259.6061 355151.1319 647219.7726 563712.9105 506364.9136 499130.3925 708567.3367 752965.6378 6455712.261 4392924.381 4333681.962 3836572.697 4124169.494 4171119.14 10032244.3 9880779.894 8538059.793 10711616.49 9810594.257 8775330.053 10538444.47 10404852.76 10717899.3 10054414.65 10866319.85 12035311.86 12088344.83 5174931.721 4958474.091 4728235.698 4932738.823 4890830.227 13220788.42 5757770.239 6857710.985 6285514.694 6753659.227 5133789.623 559093.9243 576315.4356 571689.1779 563299.3961 487936.4447 365478.9919 458252.5716 348552.571 255108.3461 304479.622 200527.1104 329190.9162 8509783.815 9290662.269 9617431.188 9270689.713 10190735.54 11800117.4 9123941.765 10085663.75 8355242.004 6885611.456 7890850.415 8988092.195 482524.7539 403946.6881 280249.5899 358849.5123 249655.0451 326477.9194 876943.0529 409191.736 397971.7066 331450.1884 373840.1922 383113.0939 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 25243.85001 21849.69272 186585.6417 76393.17502 857884.0817 75534.30172 0 447467.7037 127163.5602 585057.1365 1067982.652 27731.11773 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NADP+ 267705.645 154069.2811 133012.1113 110010.7238 80183.63361 57140.36169 171983.07 118132.4563 112364.2644 76893.58204 69570.55618 36108.6989 229720.0847 166911.2763 124963.4664 121582.1004 71879.29267 46725.89595 196038.1477 205697.2074 188574.3574 161493.1036 154779.1825 132998.7947 224751.308 218048.91 301714.9167 252243.3924 216516.1834 134514.9065 134042.7405 285943.426 217474.2778 87044.83149 24414.09111 179165.472 335136.4071 68148.26501 197431.5188 334421.074 241103.5384 185022.4783 344406.4969 554665.5104 474143.9145 334885.3971 418014.7306 318300.0275 198980.1033 62931.81929 248052.7344 391838.5653 438484.577 414645.6071 209568.832 169318.2123 236021.7124 292400.2516 279466.5172 306215.4128 452829.8039 409518.0983 375256.7924 352176.2094 292208.983 447370.8365 504806.827 510037.7155 424618.3034 397868.3046 338683.9866 254534.0901 788094.2016 665711.2611 544992.043 557223.9708 411998.2689 327666.5239 720784.7261 627466.5792 594275.4588 634063.2657 662438.0132 689208.4404 663518.807 672878.8171 950943.4236 892188.6815 983649.5387 693131.5502 253385.2667 262714.8662 215193.9936 160676.8221 176832.4429 140711.8022 172684.4006 195559.9088 133329.6572 150667.4121 124885.617 107916.5564 245413.6734 337130.5746 258513.2928 326212.1641 248788.2657 298754.9471 266354.6007 243468.5994 284862.0146 157530.6166 187017.9254 233684.7929 256206.6537 207675.5433 165922.208 185133.249 122938.1578 176086.0684 337067.4521 263070.3345 205250.2225 187122.8307 186413.8355 166471.2358 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 nicotinamide 31027676.59 26661234.79 43441004.08 29447380.46 25471818.29 22929241.31 18444451.86 20248830.62 18931620.64 16040409.92 17192869.92 14672005.32 18323165.25 22961074.51 24511885.58 21867997.01 21223058.22 20035166.98 15168366.48 21687998.3 23136229.65 21201590 21458626.83 19272685.22 10827615.38 23334655.69 160758724.8 22436118.67 23701750.91 28171431.14 58939525.09 77313405.35 61970425.49 54715559.15 57622040.76 69287041.46 45030432.33 29248497.88 68826300.51 36555469.71 22592803.44 26070266.23 42507874.06 34631808.41 35935850.87 45734116.1 38278008.88 36433423.24 41900917.96 363424984.3 40367211.84 27811131.43 67216327.24 57467591.37 18185725.93 28008152.2 70352162.43 53229224.29 34485999.45 62846860.96 156543170.9 140959164.1 136851883.2 143319593.7 117182313.3 166697029.1 51851767.68 37223969.72 36976838.68 38000806.25 40640556.5 30169588.88 56669490.86 40504825.84 50801505.54 45261136.28 47354989.45 43908966.91 32033000.96 42064849.65 45466721.07 47470229.77 72340731.38 104330239.5 34179970.55 46325124.18 52146556.24 84574875.21 85797621.04 89367105.9 68795818.05 57914627.54 44506299.07 55068115.5 83403037.32 93899023.32 172787292.5 120593859.5 123552995.4 114575609.5 124672983.4 94697599.69 115880305.3 52258461.95 59727213.22 64453222.91 60438046.87 60192491.24 141495688.7 78103082.49 99703779.89 50908825.85 82127536.93 79453027.6 53400886.25 65405367.07 58884214.83 68054403.72 37867632.83 56017549.79 37130922.43 73896291.16 85590923.45 66496674.9 80421485.09 73956585.76 110743065.2 49980566.98 40982478.24 59152845.74 37456878.66 28413940.24 22166728.37 16758252.85 19233820.47 25342813.28 24021315.53 12934042.41 27258288.62 14870073.18 61838998.02 42437618.25 19177740.61 7760522.945 54906501.02 47103411.55 93089805.27 51303792.97 85486293.32 26605523.15 30536744.83 160135682.4 90432329.84 77236260.15 98305774.15 29901120.93 62745951.47 158303119.5 101071401.5 111381185 113462292.7 79399325.33 115819186.8 145526698.8 153059094.5 128203446.7 34677401.45 19909002.48 4624380.291 10028337.44 11962693.99 12393226.16 14549230.13 N-trimethyllysine 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 25605.72419 35831.8144 26224.10873 21370.6249 25860.44571 24268.54371 16662.07127 15069.3009 14975.36077 21348.8179 10089.88918 22765.15221 17645.32857 10900.17886 26099.73438 23883.49909 12344.14885 15226.29442 20972759.77 9946235.313 50605152.6 18029426.97 70957268.3 7200467.151 8521666.64 76756462.82 35862279.99 33729651.76 43108747.96 4614515.443 10957.54937 33487.16674 26219.63222 26819.72556 26722.29062 12242.64007 30532.86968 38518.16547 31855.59786 24456.23889 32203.12208 26085.73964 2556819.54 4118848.774 5489425.764 6436340.171 15193591.17 ornithine 1303046.113 1824915.242 2230158.204 2178227.754 172460.793 2392474.313 1681025.898 2332593.507 2783739.279 2722739.19 3778336.144 4071634.803 1395466.834 1963446.363 2132193.067 2196287.722 2258334.516 2543370.461 1493930.802 1666914.436 1939687.148 1905157.874 1867981.327 1487941.816 1395078.108 2213987.552 2822984.842 2588915.252 2873158.075 3855400.521 659008.8584 1332260.998 1274632.35 842442.5035 799079.2755 1062312.585 3174385.271 3678508.098 3809028.021 3105948.56 4083568.6 4285729.396 2488316.652 3424930.455 3433309.21 3182309.613 3385423.095 3448871.646 1054553.524 1429115.105 1068518.33 1149823.28 1387260.364 1079064.693 1009561.921 1225486.751 1443803.579 1291438.987 1352629.174 2070045.023 2138429.459 3182368.742 3027560.714 3135789.158 3023430.309 3898212.807 5126525.191 5971873.064 5525646.85 5526116.608 8244764.048 9714499.209 3925942.327 4556463.745 6116714.425 3583225.09 5232865.685 6115645.27 2063202.753 3253043.332 2925010.289 1576418.731 1892351.916 1666180.311 2125514.032 3057039.937 2943075.352 2849989.051 3578645.491 4505845.5 468503.7442 1154090.567 1336846.405 1665858.904 1378520.39 786457.6809 384560.0178 876916.5079 954362.6343 910543.0967 1010171.95 947501.0888 2433774.544 3136472.181 3094341.891 2385622.153 3007006.436 3672012.639 1658607.436 1894814.504 2234179.033 2843132.191 2272954.726 2817550.693 451082.5769 566050.2852 549342.7775 487484.4909 431618.872 554246.1886 567598.5627 31489.93018 680342.5738 703623.7015 788896.8435 841622.9642 3304323.162 3764591.531 4493148.049 5760252.698 6729705.398 6392151.453 1220862.442 4646590.717 3954333.608 5009449.755 5731457.122 2805213.905 2854868.075 3098919.097 3495446.903 3623433.083 3301296.229 2933049.967 3662929.618 3848406.387 2925795.686 3512676.373 2688818.5 2689265.438 2341462.434 2552634.262 2257527.792 3389795.368 2312332.796 1993859.32 3963592.855 4502561.308 2004134.092 3284357.464 3350345.545 2270620.925 6696871.866 5374085.583 4738953.442 2911041.237 2301007.32 2186835.689 1277482.929 2100706.083 2348134.066 2525636.971 2338687.668 phenylalanine 26789055.26 23191828.54 26881680.5 23329652.94 29540393.28 56079800.23 21993913.32 36242736 24797422.44 23320833.31 42274592.89 44628079.88 24150036.53 30910418.15 31703477.83 25390562.68 31259074.34 35577233.9 59261043.61 52290607.37 92400697.55 69368097.8 62797557.19 55378411.25 35235966.85 58289994.59 64580280.11 40200282.08 87417513.97 124977390.7 14647423.38 35711937.34 25955908.13 25490838.61 16622523.33 18993042.23 28104640.28 33413861.16 23486957.02 18576913.48 30384483.71 33770259.91 31436795.68 34864939.5 32182695.48 21034853.23 31082894.87 34716184.01 40668997.22 58432567.56 53704464.87 38980852.96 48611230.47 18882392.37 26571820.17 51936882.92 27281408.88 40869138.69 52941680.14 60596054.08 41840049.87 41347964.69 28797664.16 25926615.59 27193371.94 44778542.79 25265696.36 30169378.72 19200546.13 18894266.09 32238903.2 36115680.56 29561003.95 26828813.66 26038430.68 17817232.52 24259555.83 26938615.45 36090394.54 89903352.53 87228827.46 45406122.26 36607738.39 34871578.29 26090183.24 50577538 39131844.47 35582477.07 68264341.75 61649150.76 34659530.76 33844297.97 34253970.53 48226303.6 33901906.41 29227145.18 18382143.26 30743759.76 26842959.37 34961218.73 41115196.3 34564316.88 28327306.82 40238794.92 27648071.06 25863488.92 38320625 43191438.38 34187953.8 31267600.39 31774670.33 19890013.47 28182666.43 30117280.28 32157502.14 27236088.7 54586400.73 20719929.63 15337896.29 16279405.81 24430606.61 41716995.54 28538510.96 36309528.92 54103290.48 56414997.21 22747592.84 4737468.166 5942884.571 5785058.221 4528691.247 8089753.785 11135744.17 7356203.887 6301035.679 7797584.103 3841674.565 6761505.035 14974503.38 6272724.642 7217299.8 15690849.59 5333057.628 5225476.257 12963881.55 18631679.77 15246216.71 15871156 16410773.77 14157007.23 16373923.54 15754777.39 14022831.51 16712146.94 19515706.13 15836338.08 12645773.99 5695958.401 9641403.665 11052710.45 4280799.54 13328060.05 23682675.19 7228859.485 8334263.561 9107487.697 3188506.815 2899444.449 6397000.603 6796918.759 8366569.657 7982392.965 6678235.728 phosphocholine 834778583.9 714746256.7 744074921.6 676521229.8 627219067 585777268.9 1076698874 1092227631 1153547945 1108349672 940149555.5 1018021752 1233467692 1172655741 1125045343 1040309533 1061576481 1021439515 1038366423 800552678.6 780534778.1 699353420.2 707668146.7 693867399 978860825.5 866374955.4 848111844.5 784789133.1 765051095.3 696088415.7 373761137.3 351295318.7 318755605.8 308091867.8 265414354.7 272839195.1 815743559.8 680639629.5 791987584 676588331.7 566771366.5 636577995.4 768914438.2 823553713.6 736145123.6 826772892.3 772112102.5 673741201.3 653289149 371501990.2 398463051.6 341426332.8 484808901.2 451190167.3 601509065.9 419064115.6 467721038.6 451311717.7 477953059.4 435006229.8 382699233.7 262038880.7 241591616.1 225839683.9 144168003.1 196656910.1 647675362 559022211.1 432365408.5 390138729.9 292917198 285398179.4 565190619.3 458816330.3 381160752.3 371510581.3 351327159.2 290512100.9 631349875.9 295742329.1 317964543.1 224390901.7 228688613.7 229841228.1 590653473.5 359406278.5 438098897.2 319481680.2 328142984.7 253537650.5 230014531.1 136624350.8 133577770.4 144709418.6 117812466.7 119428090.2 182230334.7 121890251.7 104143423.8 101048060.5 97491943.37 77450224.55 405435834.9 351405600.2 336174065.9 329195275.4 286165279.5 356136220.8 370326985.9 303226720 259501840 252193157.1 216980201.2 252230206.3 256465594.8 109014862.8 127667495 95600427.82 72012775.42 100179123.2 186694113.8 149302027.2 139945045.7 108783827.8 122642791.4 131722757.5 1909064.127 6852861.336 5275768.987 5108045.924 7069607.879 6463275.431 1818306.888 2922116.572 3574671.826 2528287.998 3642473.939 2087223.458 950000.4351 2420525.331 4445705.03 2166934.039 2183335.739 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38141.15264 63165.18123 49944.03467 65730.27542 49703.49573 40829.36343 34920.78915 47365.3651 58635.49697 60400.14028 52799.64041 51476.58638 39732.75066 48833.9769 47953.64683 44435.80324 35398.73944 39008.56593 38617.26024 53058.6399 74156.62077 37464.8581 24946.97989 0 31559.37796 35434.74003 43904.45384 37702.86953 29316.01544 0 23756.34792 29014.22741 22597.47244 40323.65659 32230.71443 34455.55964 32884.36263 42751.90881 42415.83557 60015.40898 45067.93836 43852.99668 30324.30197 35611.14248 40298.25944 40909.49726 36093.88618 34661.57223 23994.67375 0 0 29637.18745 0 0 0 41732.41272 72415.02591 26248.34614 0 0 0 0 0 0 0 0 0 0 0 0 0 0 21096.49925 0 0 22517.15079 28880.88121 25925.34269 23047.07205 36396.75752 0 50717.31395 32859.07149 35894.3575 39259.03281 52263.22241 29840.25667 0 0 40136.47648 39811.99557 0 47847.65914 31855.58368 0 0 0 0 0 0 0 0 0 0 S-adenosyl-methionine 12020846.68 12335222.47 13369448.39 14799125.52 20092814.49 19222026.91 4190267.022 4789998.945 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652891.5361 1153974.977 1176383.641 1059172.154 1089814.329 1185815.425 2418192.771 1615948.647 3364276.952 3270804.927 2729268.158 3152883.39 3542010.462 3429266.339 4629843.071 4071950.226 560201.8305 368461.2984 387185.7112 679745.7055 1073782.885 778864.2829 539192.6579 593907.5252 844337.558 934526.0519 1194009.882 1069647.193 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 serine 2347893.13 1612075.266 1309067.45 817652.2668 1183512.175 856006.6142 1129046.826 1108307.566 852529.04 495113.5972 980545.956 901128.722 1827090.272 1389778.628 1534076.361 965916.2698 899833.5537 920296.4169 2667540.486 2072240.956 1658679.614 1158095.125 1169108.83 533105.6132 2445595.774 1702949.921 1592639.882 1203368.336 1643898.136 2404664.436 2153910.72 1571772.652 1151050.774 698078.2197 599818.8633 607785.1001 2380580.971 2240184.719 1629209.21 974544.4838 1287684.08 1370974.106 4181003.103 3215907.177 3071800.925 1677310.833 1480301.553 1780358.058 4065818.547 2937433.768 2058279.771 1149857.187 1351315.389 731838.0231 3457706.119 2068706.267 1765099.289 1392005.931 1636625.911 2398170.357 2571814.521 1490775.774 1247935.23 1097301.298 1184033.15 1415149.254 1985250.915 2088083.756 1039533.68 798272.1209 1873494.593 2465519.089 4271107.759 2397097.852 2562131.6 1419585.524 1828991.469 2044135.754 3859631.978 2666258.342 2310262.73 1066057.395 1319292.374 807486.6346 3470843.504 1868927.236 1453369.022 1291522.432 2621548.007 3395178.691 984076.6289 838398.1337 802634.1889 1010563.379 1026461.786 1114920.528 835960.6214 667678.8233 605914.1055 573267.7665 662853.3705 640178.8697 1140888.628 1489705.336 1033109.59 965500.0755 1014422.284 1385731.297 2148750.396 1558137.435 1723141.852 1261904.782 1412293.568 1432499.515 1159283.667 806190.7484 883384.6848 436271.4438 335669.5568 388671.9571 934841.1579 698701.3534 622728.5498 506830.1178 754565.8801 1108477.069 576922.2505 1190435.132 1366685.4 1599609.366 2315582.405 2182046.246 685484.7974 1236775.912 953264.0218 1395578.699 1788517.47 1271210.005 582425.6172 743591.2826 924411.1462 1224715.425 904489.5705 688762.332 652201.6203 1135821.63 1066761.815 1194854.367 1023257.921 911299.2416 1256592.143 1358216.188 1332397.553 1398886.552 2058036.2 1402252.02 1597281.184 808531.4413 1618256.74 897396.2603 881399.4318 710228.6542 1857941.496 1223857.054 1293980.312 1015760.123 659754.0218 602974.0921 260610.7913 346422.7917 400238.4735 414120.3571 379552.6898 threonine 70691188.5 40547104.07 43125562.71 40524624.92 42364404.45 44967064.32 54044965.7 62650922.01 63657628.17 62170680.96 70694771.49 72166737.78 75312900.55 77728587.01 75490790.77 73381774.34 70894111.74 70962244.2 116006552.7 78211682.15 81425316.22 77187401.63 84366744.26 74338496.01 94967036.79 54497544.36 58329329.72 59828544.83 62556871.65 63899180.33 50357571.29 28980876.83 26281416.64 22676534.58 19474172.19 22701115.77 53390314.13 48370014.83 49833285.31 43828340.19 46722367.57 46998577.59 60610900.69 63169480.21 60558180.09 51064325.96 51086077.51 53660724.74 95210992.4 67134944.75 57415733.91 51934908.93 67149057.36 51664635.28 70597254.94 38717163.48 38938480.44 41012412.41 37253817.62 42413033.58 43720647.03 22277869.08 22236018.88 22196932.21 21337700.6 25176015.33 40706041.01 52089692.11 46112605.07 43361831.35 52671233.26 58413028.53 56137407.03 51727706.18 55017743.96 47642727.56 47753912.77 51823185.24 77653241.63 56091850.43 55035436.96 40601072.03 50500969.15 43197729.2 66155197.84 32032147.29 33665229.1 30008920.74 37501095.84 40458987.27 14788692.06 8099621.781 8637292.813 10425983.7 10351714.43 10952216.27 19230062.75 9509610.558 9432140.101 10609526 12031168.05 11864551.6 36813457.58 44737181.33 43186010.88 40744033.16 45136026.13 50669805.04 41771664.16 39238254.9 42782793.49 39900577.28 38769769.82 42428230.52 24090898.79 18370615.08 20304381.12 17850803.78 13787092.66 16760010.24 20962353.58 11924541.64 13646224.88 12086342.55 12528853.52 12875953.73 14995343.5 5868558.011 6789340.716 9119508.681 11760761.2 11726348.48 15940790.12 8723888.866 7871366.824 12455103.78 11361236.46 11963351.75 15161507.95 6169073.657 7724100.27 12195291.59 7919367.089 8342137.089 28205320.24 38755295.75 37046496.94 33382370.16 34383398.66 34588325.35 35755352.67 36840020.63 37028857.06 35215459.2 34536912.3 38483697.44 24177576.1 4928596.493 21024250.77 8577299.754 3932046.051 23073061.53 19626268.99 6544212.211 6956529.618 8513495.682 6527800.131 6022924.981 6701642.754 6415693.319 8491290.161 11138398.29 8520468.199 urocanate 62597.83342 38989.72108 36861.93076 33470.07376 35455.08267 37739.41849 275146.672 395312.0572 187125.6998 266915.2119 908552.1564 142338.6912 466607.6734 406174.9986 67374.42066 42988.35977 41638.35313 44156.64093 92632.29611 74845.07408 67197.91106 62729.57759 69847.0709 73303.74063 103497.3963 101533.7971 97858.52218 77090.07197 80667.14691 80088.37548 171370.5152 106938.8474 186820.5439 420656.4508 323318.5197 249878.9849 1292259.815 759789.8248 644342.92 533405.7972 1687635.304 751268.2563 1207860.294 435168.2712 784523.8451 591349.8778 679350.0255 1188192.604 697474.4861 342075.9187 349257.8406 666696.0351 1045055.057 559122.1304 349864.9129 282994.0148 1729507.109 1163827.935 1747327.402 2165205.89 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 30187.74917 39541.79208 30336.30438 44317.29959 26472.87973 25471.80494 30260.10623 24779.92664 0 0 37559.60114 16616.48089 1232473.106 510258.7707 5034467.994 623573.9405 623075.9001 534274.0316 2104863.413 471017.3055 777266.3526 1984940.138 1196740.243 1873800.631 73540.85986 95257.65909 62417.01056 75300.60751 33012.37848 72966.7484 135161.8105 76867.00261 102682.0748 51828.11927 82974.0742 86340.62411 639760.8057 1223890.687 2827309.028 7529049.447 20058532.47 18795565.73 512236.7335 6604413.087 1871184.027 2677175.692 18450601.51 4164126.348 5327394.824 1396097.582 896782.8217 3439415.425 1305964.255 691392.4548 6063472.626 7412185.958 3572730.743 33315216.34 20072818.64 4122553.15 4677836.677 26956028.31 3417301.427 35399566.39 93289541.94 4209240.003 4375442.41 8407644.623 20222175.6 14404042.23 17240929.62 938456.4142 29542780.64 9918288.757 9537817.429 1234712.187 423478.9161 448136.7041 1150949.52 15134303.11 11991029.91 2371809.933 9005223.753 valine 7061608.691 6708158.077 12558160.09 11999331.46 20409061.87 19285071.62 7578925.776 25225968.62 27205784.09 30308300.06 38012020.24 37526367.39 17302240.12 24981913.15 27839951.46 31487674.17 36392230.02 39994106.34 14062715.69 24464557.48 26840461.82 20367966.31 21333855.5 23666416.12 8557494.637 11078793.41 12621250.76 19972824.24 18659034.94 22500497.88 3931654.972 6577932.912 6770301.416 7725734.177 7066499.211 7194426.965 19954278.34 30315689.78 27167127.56 23618981.04 28303923.77 30434925.65 23000499.33 29108442.47 30315420.67 27357709.07 34812035.8 37310448.3 10166650.43 16864199.46 15653463.16 10516549.7 15487326.7 9210436.621 6986610.302 10488028.83 9612285.365 10368039.12 10817424.26 16389333.47 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 49545087.57 67254310.93 50065131.41 30370086.76 22198961.1 28341656.52 28663872.27 12929963.13 16739070.59 16281121.45 3392475.686 4769495.922 7586223.247 14496240.9 16690304.43 10193000.41 7683269.273 32295880.38 19005030.02 7589780.19 8858902.815 4417596.312 8045846.271 8371545.053 16867254.24 22699664.97 22474936.13 98393242.92 5530802.466 100570979.6 30134892.17 95393722.67 63184140.94 55386683.89 40344744.05 19195776.76 14849484.49 5534660.301 5525551.24 5629480.42 7152297.352 7200575.802 8248478.499 4050307.798 3753045.545 4996988.34 4215035.112 3820236.972 8316550.729 3069334.537 3843155.022 12536458.74 5754746.338 3017201.99 17330812.56 27903953.98 23507329.71 23746514.07 21390801.37 19774936.61 20986224.19 23211009.63 25861107.59 26648010.22 29909031.11 28602256.6 13376073.67 3283005.305 10227680.55 6839441.4 2175805.961 9162077.609 12388472.35 3321190.104 3023948.468 4432416.998 2012761.86 1726265.916 6987500.374 8374021.52 10768103.05 13565335.7 11956243.92 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name quantified m/z retention time, min PubChem ID 3-hydroxy-trimethyllysine 205.155 9.36 439460 5'-methylthioadenosine 298.097 2.5 439176 acetyl-carnitine 204.123 4.7 7045767 adenine 136.062 3.72 190 adenosine 268.104 3.51 60961 AIR 296.064 7.09 161500 alanine 90.055 7.21 5950 arginine 175.119 12.3 6322 asparagine 133.061 7.57 6267 betaine 118.086 4.86 247 carnitine 162.112 6.23 288 CDP-choline 489.115 8.54 13804 choline 104.107 9.2 305 citrulline 176.103 8.04 9750 creatine 132.077 7.21 586 creatinine 114.066 3.88 588 cystathionine 223.075 9.09 834 cysteine-glutathione disulfide 427.095 9.86 3080690 dihydrourocanate 141.066 4.15 70630 gamma-butyrobetaine 146.118 6.28 725 glycerophosphocholine 258.11 7.16 657272 glycine 76.039 7.89 750 guanine 152.057 4.96 135398634 histamine 112.087 9.88 774 hypoxanthine 137.046 3.94 135398638 imidazoleacetate 127.05 5.6 96215 imidazolepyruvate 155.045 5.31 19604680 kynurenic acid 190.05 2.62 3845 kynurenine 209.092 4.12 846 L-2-aminobutyric acid 104.071 6.41 80283 leucine / isoleucine 132.102 4.67 6306 lysine 147.113 11.92 5962 methionine 150.058 4.96 6137 methioninesulfoxide 166.053 6.28 158980 NAD+ 664.116 7.68 5892 NADP+ 744.083 10.03 5886 nicotinamide 123.055 2.71 936 N-trimethyllysine 189.16 10.57 440121 ornithine 133.097 10.95 6262 phenylalanine 166.086 4.04 6140 phosphocholine 184.074 8.19 1014 proline 116.071 5.87 614 propionyl-carnitine 218.139 3.88 107738 riboflavin 377.146 3.19 493570 S-adenosyl-methionine 399.145 8.19 34756 sarcosine 90.055 7.73 1088 serine 106.05 7.84 5951 threonine 120.066 6.89 6288 urocanate 139.05 5.28 736715 valine 118.086 5.54 6287 METABOLITES_END #END