#METABOLOMICS WORKBENCH juliehaines_20241125_183122 DATATRACK_ID:5399 STUDY_ID:ST003606 ANALYSIS_ID:AN005926 PROJECT_ID:PR002231
VERSION             	1
CREATED_ON             	December 5, 2024, 7:44 pm
#PROJECT
PR:PROJECT_TITLE                 	Macrophages recycle phagocytosed bacteria to fuel immunometabolic responses
PR:PROJECT_SUMMARY               	Macrophages specialize in phagocytosis, a cellular process that eliminates
PR:PROJECT_SUMMARY               	extracellular matter, including microbes, through internalization and
PR:PROJECT_SUMMARY               	degradation. Despite the critical role of phagocytosis during bacterial
PR:PROJECT_SUMMARY               	infection, the fate of phagocytosed microbial cargo and its impact on host cell
PR:PROJECT_SUMMARY               	is poorly understood. Here, we reveal that ingested bacteria constitute an
PR:PROJECT_SUMMARY               	alternative nutrient source that skews immunometabolic host responses. Tracing
PR:PROJECT_SUMMARY               	stable isotope-labelled bacteria, we found that phagolysosomal degradation of
PR:PROJECT_SUMMARY               	bacteria provides carbon atoms and amino acids that are recycled into various
PR:PROJECT_SUMMARY               	metabolic pathways, including glutathione and itaconate biosynthesis, and
PR:PROJECT_SUMMARY               	satisfy macrophage bioenergetic needs. Metabolic recycling of
PR:PROJECT_SUMMARY               	microbially-derived nutrients is regulated by the nutrient sensing mTORC1 and
PR:PROJECT_SUMMARY               	intricately tied to microbial viability. Dead bacteria, as opposed to live ones,
PR:PROJECT_SUMMARY               	are enriched in cyclic- adenosine monophosphate (AMP), sustain the cellular AMP
PR:PROJECT_SUMMARY               	pool and subsequently activate AMP protein kinase (AMPK) to inhibit mTORC1.
PR:PROJECT_SUMMARY               	Consequently, killed bacteria strongly fuel metabolic recycling and support
PR:PROJECT_SUMMARY               	macrophage survival, but elicit decreased reactive oxygen species (ROS)
PR:PROJECT_SUMMARY               	production and a reduced IL-1β secretion compared to viable bacteria. These
PR:PROJECT_SUMMARY               	results reveal a novel insight into the fate of engulfed microbes and highlights
PR:PROJECT_SUMMARY               	a microbial viability-associated metabolite that triggers host metabolic and
PR:PROJECT_SUMMARY               	immune responses. Our findings hold promise for shaping immunometabolic
PR:PROJECT_SUMMARY               	intervention in various immune-related pathologies.
PR:INSTITUTE                     	University of Colorado Anschutz Medical Campus
PR:LABORATORY                    	Lab of Angelo D'Alessandro in collaboration with lab of Johan Garaude (INSERM,
PR:LABORATORY                    	Fr)
PR:LAST_NAME                     	Haines
PR:FIRST_NAME                    	Julie
PR:ADDRESS                       	12801 E 17th Ave, Room 1303, Aurora, Colorado, 80045, USA
PR:EMAIL                         	julie.haines@cuanschutz.edu
PR:PHONE                         	3037243339
#STUDY
ST:STUDY_TITLE                   	Global metabolomics and tracing of E coli-derived metabolites following
ST:STUDY_TITLE                   	engulfment of live or heat-killed bacteria by bone marrow derived macrophages
ST:STUDY_TITLE                   	expressing constitutively active mutants of Kras or Hras
ST:STUDY_SUMMARY                 	We sought to identify possible mechanisms governing the recycling of microbially
ST:STUDY_SUMMARY                 	derived nutrients produced by the degradation of killed E coli in macrophages.
ST:STUDY_SUMMARY                 	Recent studies have demonstrated that extracellular protein utilization supports
ST:STUDY_SUMMARY                 	the cellular metabolism of cancer cells expressing activated Ras pathways. Here
ST:STUDY_SUMMARY                 	we tested the involvement of Kras and Hras pathway in metabolic recycling of
ST:STUDY_SUMMARY                 	microbial nutrients upon phagocytosis by macrophages using global and
ST:STUDY_SUMMARY                 	13C-tracing metabolomics in bone marrow derived macrophages exposed to
ST:STUDY_SUMMARY                 	13C-labeled E coli.
ST:INSTITUTE                     	University of Colorado Anschutz Medical Campus
ST:LAST_NAME                     	Haines
ST:FIRST_NAME                    	Julie
ST:ADDRESS                       	12801 E 17th Ave, Room 1303, Aurora, Colorado, 80045, USA
ST:EMAIL                         	julie.haines@cuanschutz.edu
ST:PHONE                         	3037243339
#SUBJECT
SU:SUBJECT_TYPE                  	Cultured cells
SU:SUBJECT_SPECIES               	Mus musculus
SU:GENDER                        	Not applicable
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data
SUBJECT_SAMPLE_FACTORS           	-	1-89-5-	time (h):6 | E coli treatment:live | genotype:WT | Sample source:murine bone marrow derived macrophages	RAW_FILE_NAME(raw file name)=1-89-5-
SUBJECT_SAMPLE_FACTORS           	-	1-89-6-	time (h):6 | E coli treatment:live | genotype:WT | Sample source:murine bone marrow derived macrophages	RAW_FILE_NAME(raw file name)=1-89-6-
SUBJECT_SAMPLE_FACTORS           	-	1-89-7-	time (h):6 | E coli treatment:live | genotype:WT | Sample source:murine bone marrow derived macrophages	RAW_FILE_NAME(raw file name)=1-89-7-
SUBJECT_SAMPLE_FACTORS           	-	1-89-8-	time (h):6 | E coli treatment:live | genotype:WT | Sample source:murine bone marrow derived macrophages	RAW_FILE_NAME(raw file name)=1-89-8-
SUBJECT_SAMPLE_FACTORS           	-	1-89-9-	time (h):6 | E coli treatment:dead | genotype:WT | Sample source:murine bone marrow derived macrophages	RAW_FILE_NAME(raw file name)=1-89-9-
SUBJECT_SAMPLE_FACTORS           	-	1-89-10-	time (h):6 | E coli treatment:dead | genotype:WT | Sample source:murine bone marrow derived macrophages	RAW_FILE_NAME(raw file name)=1-89-10-
SUBJECT_SAMPLE_FACTORS           	-	1-89-11-	time (h):6 | E coli treatment:dead | genotype:WT | Sample source:murine bone marrow derived macrophages	RAW_FILE_NAME(raw file name)=1-89-11-
SUBJECT_SAMPLE_FACTORS           	-	1-89-12-	time (h):6 | E coli treatment:dead | genotype:WT | Sample source:murine bone marrow derived macrophages	RAW_FILE_NAME(raw file name)=1-89-12-
SUBJECT_SAMPLE_FACTORS           	-	1-89-13-	time (h):18 | E coli treatment:live | genotype:WT | Sample source:murine bone marrow derived macrophages	RAW_FILE_NAME(raw file name)=1-89-13-
SUBJECT_SAMPLE_FACTORS           	-	1-89-14-	time (h):18 | E coli treatment:live | genotype:WT | Sample source:murine bone marrow derived macrophages	RAW_FILE_NAME(raw file name)=1-89-14-
SUBJECT_SAMPLE_FACTORS           	-	1-89-15-	time (h):18 | E coli treatment:live | genotype:WT | Sample source:murine bone marrow derived macrophages	RAW_FILE_NAME(raw file name)=1-89-15-
SUBJECT_SAMPLE_FACTORS           	-	1-89-16-	time (h):18 | E coli treatment:live | genotype:WT | Sample source:murine bone marrow derived macrophages	RAW_FILE_NAME(raw file name)=1-89-16-
SUBJECT_SAMPLE_FACTORS           	-	1-89-17-	time (h):18 | E coli treatment:dead | genotype:WT | Sample source:murine bone marrow derived macrophages	RAW_FILE_NAME(raw file name)=1-89-17-
SUBJECT_SAMPLE_FACTORS           	-	1-89-18-	time (h):18 | E coli treatment:dead | genotype:WT | Sample source:murine bone marrow derived macrophages	RAW_FILE_NAME(raw file name)=1-89-18-
SUBJECT_SAMPLE_FACTORS           	-	1-89-19-	time (h):18 | E coli treatment:dead | genotype:WT | Sample source:murine bone marrow derived macrophages	RAW_FILE_NAME(raw file name)=1-89-19-
SUBJECT_SAMPLE_FACTORS           	-	1-89-20-	time (h):18 | E coli treatment:dead | genotype:WT | Sample source:murine bone marrow derived macrophages	RAW_FILE_NAME(raw file name)=1-89-20-
SUBJECT_SAMPLE_FACTORS           	-	1-89-21-	time (h):18 | E coli treatment:none | genotype:WT | Sample source:murine bone marrow derived macrophages	RAW_FILE_NAME(raw file name)=1-89-21-
SUBJECT_SAMPLE_FACTORS           	-	1-89-22-	time (h):18 | E coli treatment:none | genotype:WT | Sample source:murine bone marrow derived macrophages	RAW_FILE_NAME(raw file name)=1-89-22-
SUBJECT_SAMPLE_FACTORS           	-	1-89-23-	time (h):18 | E coli treatment:none | genotype:WT | Sample source:murine bone marrow derived macrophages	RAW_FILE_NAME(raw file name)=1-89-23-
SUBJECT_SAMPLE_FACTORS           	-	1-89-24-	time (h):6 | E coli treatment:live | genotype:WT | Sample source:murine bone marrow derived macrophages	RAW_FILE_NAME(raw file name)=1-89-24-
SUBJECT_SAMPLE_FACTORS           	-	1-89-25-	time (h):6 | E coli treatment:live | genotype:WT | Sample source:murine bone marrow derived macrophages	RAW_FILE_NAME(raw file name)=1-89-25-
SUBJECT_SAMPLE_FACTORS           	-	1-89-26-	time (h):6 | E coli treatment:live | genotype:WT | Sample source:murine bone marrow derived macrophages	RAW_FILE_NAME(raw file name)=1-89-26-
SUBJECT_SAMPLE_FACTORS           	-	1-89-27-	time (h):6 | E coli treatment:dead | genotype:WT | Sample source:murine bone marrow derived macrophages	RAW_FILE_NAME(raw file name)=1-89-27-
SUBJECT_SAMPLE_FACTORS           	-	1-89-28-	time (h):6 | E coli treatment:dead | genotype:WT | Sample source:murine bone marrow derived macrophages	RAW_FILE_NAME(raw file name)=1-89-28-
SUBJECT_SAMPLE_FACTORS           	-	1-89-29-	time (h):6 | E coli treatment:dead | genotype:WT | Sample source:murine bone marrow derived macrophages	RAW_FILE_NAME(raw file name)=1-89-29-
SUBJECT_SAMPLE_FACTORS           	-	1-89-30-	time (h):18 | E coli treatment:live | genotype:WT | Sample source:murine bone marrow derived macrophages	RAW_FILE_NAME(raw file name)=1-89-30-
SUBJECT_SAMPLE_FACTORS           	-	1-89-31-	time (h):18 | E coli treatment:live | genotype:WT | Sample source:murine bone marrow derived macrophages	RAW_FILE_NAME(raw file name)=1-89-31-
SUBJECT_SAMPLE_FACTORS           	-	1-89-32-	time (h):18 | E coli treatment:live | genotype:WT | Sample source:murine bone marrow derived macrophages	RAW_FILE_NAME(raw file name)=1-89-32-
SUBJECT_SAMPLE_FACTORS           	-	1-89-33-	time (h):18 | E coli treatment:dead | genotype:WT | Sample source:murine bone marrow derived macrophages	RAW_FILE_NAME(raw file name)=1-89-33-
SUBJECT_SAMPLE_FACTORS           	-	1-89-34-	time (h):18 | E coli treatment:dead | genotype:WT | Sample source:murine bone marrow derived macrophages	RAW_FILE_NAME(raw file name)=1-89-34-
SUBJECT_SAMPLE_FACTORS           	-	1-89-35-	time (h):18 | E coli treatment:dead | genotype:WT | Sample source:murine bone marrow derived macrophages	RAW_FILE_NAME(raw file name)=1-89-35-
SUBJECT_SAMPLE_FACTORS           	-	1-89-36-	time (h):18 | E coli treatment:none | genotype:HRAS +/+ | Sample source:murine bone marrow derived macrophages	RAW_FILE_NAME(raw file name)=1-89-36-
SUBJECT_SAMPLE_FACTORS           	-	1-89-37-	time (h):18 | E coli treatment:none | genotype:HRAS +/+ | Sample source:murine bone marrow derived macrophages	RAW_FILE_NAME(raw file name)=1-89-37-
SUBJECT_SAMPLE_FACTORS           	-	1-89-38-	time (h):18 | E coli treatment:none | genotype:HRAS +/+ | Sample source:murine bone marrow derived macrophages	RAW_FILE_NAME(raw file name)=1-89-38-
SUBJECT_SAMPLE_FACTORS           	-	1-89-39-	time (h):6 | E coli treatment:live | genotype:HRAS +/+ | Sample source:murine bone marrow derived macrophages	RAW_FILE_NAME(raw file name)=1-89-39-
SUBJECT_SAMPLE_FACTORS           	-	1-89-40-	time (h):6 | E coli treatment:live | genotype:HRAS +/+ | Sample source:murine bone marrow derived macrophages	RAW_FILE_NAME(raw file name)=1-89-40-
SUBJECT_SAMPLE_FACTORS           	-	1-89-41-	time (h):6 | E coli treatment:live | genotype:HRAS +/+ | Sample source:murine bone marrow derived macrophages	RAW_FILE_NAME(raw file name)=1-89-41-
SUBJECT_SAMPLE_FACTORS           	-	1-89-42-	time (h):6 | E coli treatment:dead | genotype:HRAS +/+ | Sample source:murine bone marrow derived macrophages	RAW_FILE_NAME(raw file name)=1-89-42-
SUBJECT_SAMPLE_FACTORS           	-	1-89-43-	time (h):6 | E coli treatment:dead | genotype:HRAS +/+ | Sample source:murine bone marrow derived macrophages	RAW_FILE_NAME(raw file name)=1-89-43-
SUBJECT_SAMPLE_FACTORS           	-	1-89-44-	time (h):6 | E coli treatment:dead | genotype:HRAS +/+ | Sample source:murine bone marrow derived macrophages	RAW_FILE_NAME(raw file name)=1-89-44-
SUBJECT_SAMPLE_FACTORS           	-	1-89-45-	time (h):18 | E coli treatment:live | genotype:HRAS +/+ | Sample source:murine bone marrow derived macrophages	RAW_FILE_NAME(raw file name)=1-89-45-
SUBJECT_SAMPLE_FACTORS           	-	1-89-46-	time (h):18 | E coli treatment:live | genotype:HRAS +/+ | Sample source:murine bone marrow derived macrophages	RAW_FILE_NAME(raw file name)=1-89-46-
SUBJECT_SAMPLE_FACTORS           	-	1-89-47-	time (h):18 | E coli treatment:live | genotype:HRAS +/+ | Sample source:murine bone marrow derived macrophages	RAW_FILE_NAME(raw file name)=1-89-47-
SUBJECT_SAMPLE_FACTORS           	-	1-89-48-	time (h):18 | E coli treatment:dead | genotype:HRAS +/+ | Sample source:murine bone marrow derived macrophages	RAW_FILE_NAME(raw file name)=1-89-48-
SUBJECT_SAMPLE_FACTORS           	-	1-89-49-	time (h):18 | E coli treatment:dead | genotype:HRAS +/+ | Sample source:murine bone marrow derived macrophages	RAW_FILE_NAME(raw file name)=1-89-49-
SUBJECT_SAMPLE_FACTORS           	-	1-89-50-	time (h):18 | E coli treatment:dead | genotype:HRAS +/+ | Sample source:murine bone marrow derived macrophages	RAW_FILE_NAME(raw file name)=1-89-50-
SUBJECT_SAMPLE_FACTORS           	-	1-89-51-	time (h):18 | E coli treatment:none | genotype:Cre KRAS +/+ | Sample source:murine bone marrow derived macrophages	RAW_FILE_NAME(raw file name)=1-89-51-
SUBJECT_SAMPLE_FACTORS           	-	1-89-52-	time (h):18 | E coli treatment:none | genotype:Cre KRAS +/+ | Sample source:murine bone marrow derived macrophages	RAW_FILE_NAME(raw file name)=1-89-52-
SUBJECT_SAMPLE_FACTORS           	-	1-89-53-	time (h):18 | E coli treatment:none | genotype:Cre KRAS +/+ | Sample source:murine bone marrow derived macrophages	RAW_FILE_NAME(raw file name)=1-89-53-
SUBJECT_SAMPLE_FACTORS           	-	1-89-54-	time (h):6 | E coli treatment:live | genotype:Cre KRAS +/+ | Sample source:murine bone marrow derived macrophages	RAW_FILE_NAME(raw file name)=1-89-54-
SUBJECT_SAMPLE_FACTORS           	-	1-89-55-	time (h):6 | E coli treatment:live | genotype:Cre KRAS +/+ | Sample source:murine bone marrow derived macrophages	RAW_FILE_NAME(raw file name)=1-89-55-
SUBJECT_SAMPLE_FACTORS           	-	1-89-56-	time (h):6 | E coli treatment:live | genotype:Cre KRAS +/+ | Sample source:murine bone marrow derived macrophages	RAW_FILE_NAME(raw file name)=1-89-56-
SUBJECT_SAMPLE_FACTORS           	-	1-89-57-	time (h):6 | E coli treatment:dead | genotype:Cre KRAS +/+ | Sample source:murine bone marrow derived macrophages	RAW_FILE_NAME(raw file name)=1-89-57-
SUBJECT_SAMPLE_FACTORS           	-	1-89-58-	time (h):6 | E coli treatment:dead | genotype:Cre KRAS +/+ | Sample source:murine bone marrow derived macrophages	RAW_FILE_NAME(raw file name)=1-89-58-
SUBJECT_SAMPLE_FACTORS           	-	1-89-59-	time (h):6 | E coli treatment:dead | genotype:Cre KRAS +/+ | Sample source:murine bone marrow derived macrophages	RAW_FILE_NAME(raw file name)=1-89-59-
SUBJECT_SAMPLE_FACTORS           	-	1-89-60-	time (h):18 | E coli treatment:live | genotype:Cre KRAS +/+ | Sample source:murine bone marrow derived macrophages	RAW_FILE_NAME(raw file name)=1-89-60-
SUBJECT_SAMPLE_FACTORS           	-	1-89-61-	time (h):18 | E coli treatment:live | genotype:Cre KRAS +/+ | Sample source:murine bone marrow derived macrophages	RAW_FILE_NAME(raw file name)=1-89-61-
SUBJECT_SAMPLE_FACTORS           	-	1-89-62-	time (h):18 | E coli treatment:live | genotype:Cre KRAS +/+ | Sample source:murine bone marrow derived macrophages	RAW_FILE_NAME(raw file name)=1-89-62-
SUBJECT_SAMPLE_FACTORS           	-	1-89-63-	time (h):18 | E coli treatment:dead | genotype:Cre KRAS +/+ | Sample source:murine bone marrow derived macrophages	RAW_FILE_NAME(raw file name)=1-89-63-
SUBJECT_SAMPLE_FACTORS           	-	1-89-64-	time (h):18 | E coli treatment:dead | genotype:Cre KRAS +/+ | Sample source:murine bone marrow derived macrophages	RAW_FILE_NAME(raw file name)=1-89-64-
SUBJECT_SAMPLE_FACTORS           	-	1-89-65-	time (h):18 | E coli treatment:dead | genotype:Cre KRAS +/+ | Sample source:murine bone marrow derived macrophages	RAW_FILE_NAME(raw file name)=1-89-65-
SUBJECT_SAMPLE_FACTORS           	-	1-89-66-	time (h):18 | E coli treatment:none | genotype:Cre | Sample source:murine bone marrow derived macrophages	RAW_FILE_NAME(raw file name)=1-89-66-
SUBJECT_SAMPLE_FACTORS           	-	1-89-67-	time (h):18 | E coli treatment:none | genotype:Cre | Sample source:murine bone marrow derived macrophages	RAW_FILE_NAME(raw file name)=1-89-67-
SUBJECT_SAMPLE_FACTORS           	-	1-89-68-	time (h):18 | E coli treatment:none | genotype:Cre | Sample source:murine bone marrow derived macrophages	RAW_FILE_NAME(raw file name)=1-89-68-
SUBJECT_SAMPLE_FACTORS           	-	1-89-69-	time (h):6 | E coli treatment:live | genotype:Cre | Sample source:murine bone marrow derived macrophages	RAW_FILE_NAME(raw file name)=1-89-69-
SUBJECT_SAMPLE_FACTORS           	-	1-89-70-	time (h):6 | E coli treatment:live | genotype:Cre | Sample source:murine bone marrow derived macrophages	RAW_FILE_NAME(raw file name)=1-89-70-
SUBJECT_SAMPLE_FACTORS           	-	1-89-71-	time (h):6 | E coli treatment:live | genotype:Cre | Sample source:murine bone marrow derived macrophages	RAW_FILE_NAME(raw file name)=1-89-71-
SUBJECT_SAMPLE_FACTORS           	-	1-89-72-	time (h):6 | E coli treatment:dead | genotype:Cre | Sample source:murine bone marrow derived macrophages	RAW_FILE_NAME(raw file name)=1-89-72-
SUBJECT_SAMPLE_FACTORS           	-	1-89-73-	time (h):6 | E coli treatment:dead | genotype:Cre | Sample source:murine bone marrow derived macrophages	RAW_FILE_NAME(raw file name)=1-89-73-
SUBJECT_SAMPLE_FACTORS           	-	1-89-74-	time (h):6 | E coli treatment:dead | genotype:Cre | Sample source:murine bone marrow derived macrophages	RAW_FILE_NAME(raw file name)=1-89-74-
SUBJECT_SAMPLE_FACTORS           	-	1-89-75-	time (h):18 | E coli treatment:live | genotype:Cre | Sample source:murine bone marrow derived macrophages	RAW_FILE_NAME(raw file name)=1-89-75-
SUBJECT_SAMPLE_FACTORS           	-	1-89-76-	time (h):18 | E coli treatment:live | genotype:Cre | Sample source:murine bone marrow derived macrophages	RAW_FILE_NAME(raw file name)=1-89-76-
SUBJECT_SAMPLE_FACTORS           	-	1-89-77-	time (h):18 | E coli treatment:live | genotype:Cre | Sample source:murine bone marrow derived macrophages	RAW_FILE_NAME(raw file name)=1-89-77-
SUBJECT_SAMPLE_FACTORS           	-	1-89-78-	time (h):18 | E coli treatment:dead | genotype:Cre | Sample source:murine bone marrow derived macrophages	RAW_FILE_NAME(raw file name)=1-89-78-
SUBJECT_SAMPLE_FACTORS           	-	1-89-79-	time (h):18 | E coli treatment:dead | genotype:Cre | Sample source:murine bone marrow derived macrophages	RAW_FILE_NAME(raw file name)=1-89-79-
SUBJECT_SAMPLE_FACTORS           	-	1-89-80-	time (h):18 | E coli treatment:dead | genotype:Cre | Sample source:murine bone marrow derived macrophages	RAW_FILE_NAME(raw file name)=1-89-80-
#COLLECTION
CO:COLLECTION_SUMMARY            	BMDMs were seeded at 2.5E6 cell/well in a non-tissue treated 6-well plate (2
CO:COLLECTION_SUMMARY            	wells per condition) the day before the experiment. To harvest, BMDMs were
CO:COLLECTION_SUMMARY            	washed with cold PBS and harvested with 5 mM EDTA in PBS, frozen as dry cell
CO:COLLECTION_SUMMARY            	pellet, and stored at -80˚C until processing.
CO:SAMPLE_TYPE                   	Macrophages
#TREATMENT
TR:TREATMENT_SUMMARY             	Tg.hUbC-cre-8 ERT2+/T::Kras+/G12V mice were originally generated in the
TR:TREATMENT_SUMMARY             	laboratory of M. Barbacid and provided by D. Santamaria. HrasG12S mice were
TR:TREATMENT_SUMMARY             	originally generated at the Institut Clinique de la Souris (ICS) and provided by
TR:TREATMENT_SUMMARY             	R. Rossignol. All transgenic mice were on a C57BL/6N background. We used 8- to
TR:TREATMENT_SUMMARY             	10-week-old male or female animals for all experiments and did not observe any
TR:TREATMENT_SUMMARY             	gender bias. Preparation of macrophages: Murine bone marrow-derived macrophages
TR:TREATMENT_SUMMARY             	(BMDMs) were generated as described previously, in RPMI 1640 supplemented with
TR:TREATMENT_SUMMARY             	M-CSF (30% mycoplasma-free L929 cell supernatant, NCBI Biosample accession #
TR:TREATMENT_SUMMARY             	SAMN00155972) and 10% FBS, plus 100 µg/ml penicillin, 100 µg/ml streptomycin,
TR:TREATMENT_SUMMARY             	10 mM HEPES, 1 nM sodium pyruvate and 50 µM 2-mercaptoethanol (all from Gibco).
TR:TREATMENT_SUMMARY             	For Tg.hUbC-cre-ERT2+/T::Rragaf/f and Tg.hUbC-cre-ERT2+/T::Kras+/G12V mice,
TR:TREATMENT_SUMMARY             	tamoxifen was added to the culture on day 2 or 3 to a final concentration of 1
TR:TREATMENT_SUMMARY             	µg/ml in order to induce CRE expression. BMDMs were used on day 5 to 7 after
TR:TREATMENT_SUMMARY             	seeding. Period of differentiation of the cells, concentration of cells when
TR:TREATMENT_SUMMARY             	replating and time-lapse between replating and stimulation with bacteria were
TR:TREATMENT_SUMMARY             	important parameters to maintain metabolic backgrounds homogenous between
TR:TREATMENT_SUMMARY             	experiments. Preparation of viable and killed U-[13C]Bacteria: ThyA- E. coli
TR:TREATMENT_SUMMARY             	were grown overnight with shaking in LB supplemented with thymidine (500 µg/ml)
TR:TREATMENT_SUMMARY             	and trimethoprim (50 µg/ml), diluted 1/40, and grown until log-phase [optical
TR:TREATMENT_SUMMARY             	density at 600 nm (OD600) of 0.8-1.2]. Bacteria were washed with phosphate
TR:TREATMENT_SUMMARY             	buffer saline (PBS) to remove LB salts before addition to cells. For labeling of
TR:TREATMENT_SUMMARY             	bacteria, 10 µl of an overnight cultured of thyA- E. coli was added to 20 ml of
TR:TREATMENT_SUMMARY             	a filtered M9 minimal medium salts (Life Technologies) supplemented with 1 mM
TR:TREATMENT_SUMMARY             	thiamine, 1 mM MgSO4, 0.1 M CaCl2, 500 µg/ml thymidine, 50 µg/ml trimethoprim,
TR:TREATMENT_SUMMARY             	and 0.5% U-[13C6] glucose (Campro Scientific). Bacteria were grown for 72h,
TR:TREATMENT_SUMMARY             	washed with PBS and subjected to heat-killing by re-suspension in PBS and
TR:TREATMENT_SUMMARY             	subsequently incubation at 60˚C for 60-90 min. For antibiotic killing, bacteria
TR:TREATMENT_SUMMARY             	were incubated for 6h to 12h with Streptomycin or Gentamycin (50 µg/ml).
TR:TREATMENT_SUMMARY             	Bacteria were kept at 4˚C until use. Efficient killing was confirmed by
TR:TREATMENT_SUMMARY             	overnight plating on LB-agar plates. Treatment of macrophages: 2E6 BMDMs were
TR:TREATMENT_SUMMARY             	plated 12-16h prior stimulation in non-tissue cultured treated 6-well plate (BD
TR:TREATMENT_SUMMARY             	Falcons). Cells were then stimulated with live or killed labelled-E. coli at MOI
TR:TREATMENT_SUMMARY             	50, centrifuged at 2000 rpm for 5min. BMDMs were incubated for 5 min and washed
TR:TREATMENT_SUMMARY             	with PBS to remove non-ingested bacteria and further incubated for 6h or 18h.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Metabolites from frozen pellets were extracted at 4e6 cells per mL using ice
SP:SAMPLEPREP_SUMMARY            	cold 5:3:2 methanol:acetonitrile:water (v/v/v) with vigorous vortexing at 4
SP:SAMPLEPREP_SUMMARY            	degrees C followed by centrifugation as described for 10 min at 18,000 g.
SP:SAMPLEPREP_SUMMARY            	Supernatants were maintained at 4°C until analysis that same day.
SP:PROCESSING_STORAGE_CONDITIONS 	4℃
SP:EXTRACT_STORAGE               	-80℃
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	Positive C18
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Thermo Vanquish
CH:COLUMN_NAME                   	Phenomenex Kinetex C18 (150 x 2.1mm,1.7um)
CH:SOLVENT_A                     	100% water; 0.1% formic acid
CH:SOLVENT_B                     	100% acetonitrile; 0.1% formic acid
CH:FLOW_GRADIENT                 	0-0.5 min 5% B, 0.5-1.1 min 5-95% B, 1.1-2.75 min hold at 95% B, 2.75-3 min
CH:FLOW_GRADIENT                 	95-5% B, 3-5 min hold at 5% B
CH:FLOW_RATE                     	450 uL/min
CH:COLUMN_TEMPERATURE            	45
CH:SAMPLE_INJECTION              	6 uL
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	Resolution 70,000, scan range 65-900 m/z, maximum injection time 200 ms,
MS:MS_COMMENTS                   	microscans 2, automatic gain control (AGC) 3 x 10^6 ions, source voltage 4.0 kV,
MS:MS_COMMENTS                   	capillary temperature 320 C, and sheath gas 45, auxiliary gas 15, and sweep gas
MS:MS_COMMENTS                   	0 (all nitrogen). Data converted to mzXML using RawConverter. Metabolites were
MS:MS_COMMENTS                   	annotated and integrated using Maven in conjunction with the KEGG database.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	peak area
MS_METABOLITE_DATA_START
Samples	1-89-5-	1-89-6-	1-89-7-	1-89-8-	1-89-9-	1-89-10-	1-89-11-	1-89-12-	1-89-13-	1-89-14-	1-89-15-	1-89-16-	1-89-17-	1-89-18-	1-89-19-	1-89-20-	1-89-21-	1-89-22-	1-89-23-	1-89-24-	1-89-25-	1-89-26-	1-89-27-	1-89-28-	1-89-29-	1-89-30-	1-89-31-	1-89-32-	1-89-33-	1-89-34-	1-89-35-	1-89-36-	1-89-37-	1-89-38-	1-89-39-	1-89-40-	1-89-41-	1-89-42-	1-89-43-	1-89-44-	1-89-45-	1-89-46-	1-89-47-	1-89-48-	1-89-49-	1-89-50-	1-89-51-	1-89-52-	1-89-53-	1-89-54-	1-89-55-	1-89-56-	1-89-57-	1-89-58-	1-89-59-	1-89-60-	1-89-61-	1-89-62-	1-89-63-	1-89-64-	1-89-65-	1-89-66-	1-89-67-	1-89-68-	1-89-69-	1-89-70-	1-89-71-	1-89-72-	1-89-73-	1-89-74-	1-89-75-	1-89-76-	1-89-77-	1-89-78-	1-89-79-	1-89-80-
Factors	time (h):6 | E coli treatment:live | genotype:WT | Sample source:murine bone marrow derived macrophages	time (h):6 | E coli treatment:live | genotype:WT | Sample source:murine bone marrow derived macrophages	time (h):6 | E coli treatment:live | genotype:WT | Sample source:murine bone marrow derived macrophages	time (h):6 | E coli treatment:live | genotype:WT | Sample source:murine bone marrow derived macrophages	time (h):6 | E coli treatment:dead | genotype:WT | Sample source:murine bone marrow derived macrophages	time (h):6 | E coli treatment:dead | genotype:WT | Sample source:murine bone marrow derived macrophages	time (h):6 | E coli treatment:dead | genotype:WT | Sample source:murine bone marrow derived macrophages	time (h):6 | E coli treatment:dead | genotype:WT | Sample source:murine bone marrow derived macrophages	time (h):18 | E coli treatment:live | genotype:WT | Sample source:murine bone marrow derived macrophages	time (h):18 | E coli treatment:live | genotype:WT | Sample source:murine bone marrow derived macrophages	time (h):18 | E coli treatment:live | genotype:WT | Sample source:murine bone marrow derived macrophages	time (h):18 | E coli treatment:live | genotype:WT | Sample source:murine bone marrow derived macrophages	time (h):18 | E coli treatment:dead | genotype:WT | Sample source:murine bone marrow derived macrophages	time (h):18 | E coli treatment:dead | genotype:WT | Sample source:murine bone marrow derived macrophages	time (h):18 | E coli treatment:dead | genotype:WT | Sample source:murine bone marrow derived macrophages	time (h):18 | E coli treatment:dead | genotype:WT | Sample source:murine bone marrow derived macrophages	time (h):18 | E coli treatment:none | genotype:WT | Sample source:murine bone marrow derived macrophages	time (h):18 | E coli treatment:none | genotype:WT | Sample source:murine bone marrow derived macrophages	time (h):18 | E coli treatment:none | genotype:WT | Sample source:murine bone marrow derived macrophages	time (h):6 | E coli treatment:live | genotype:WT | Sample source:murine bone marrow derived macrophages	time (h):6 | E coli treatment:live | genotype:WT | Sample source:murine bone marrow derived macrophages	time (h):6 | E coli treatment:live | genotype:WT | Sample source:murine bone marrow derived macrophages	time (h):6 | E coli treatment:dead | genotype:WT | Sample source:murine bone marrow derived macrophages	time (h):6 | E coli treatment:dead | genotype:WT | Sample source:murine bone marrow derived macrophages	time (h):6 | E coli treatment:dead | genotype:WT | Sample source:murine bone marrow derived macrophages	time (h):18 | E coli treatment:live | genotype:WT | Sample source:murine bone marrow derived macrophages	time (h):18 | E coli treatment:live | genotype:WT | Sample source:murine bone marrow derived macrophages	time (h):18 | E coli treatment:live | genotype:WT | Sample source:murine bone marrow derived macrophages	time (h):18 | E coli treatment:dead | genotype:WT | Sample source:murine bone marrow derived macrophages	time (h):18 | E coli treatment:dead | genotype:WT | Sample source:murine bone marrow derived macrophages	time (h):18 | E coli treatment:dead | genotype:WT | Sample source:murine bone marrow derived macrophages	time (h):18 | E coli treatment:none | genotype:HRAS +/+ | Sample source:murine bone marrow derived macrophages	time (h):18 | E coli treatment:none | genotype:HRAS +/+ | Sample source:murine bone marrow derived macrophages	time (h):18 | E coli treatment:none | genotype:HRAS +/+ | Sample source:murine bone marrow derived macrophages	time (h):6 | E coli treatment:live | genotype:HRAS +/+ | Sample source:murine bone marrow derived macrophages	time (h):6 | E coli treatment:live | genotype:HRAS +/+ | Sample source:murine bone marrow derived macrophages	time (h):6 | E coli treatment:live | genotype:HRAS +/+ | Sample source:murine bone marrow derived macrophages	time (h):6 | E coli treatment:dead | genotype:HRAS +/+ | Sample source:murine bone marrow derived macrophages	time (h):6 | E coli treatment:dead | genotype:HRAS +/+ | Sample source:murine bone marrow derived macrophages	time (h):6 | E coli treatment:dead | genotype:HRAS +/+ | Sample source:murine bone marrow derived macrophages	time (h):18 | E coli treatment:live | genotype:HRAS +/+ | Sample source:murine bone marrow derived macrophages	time (h):18 | E coli treatment:live | genotype:HRAS +/+ | Sample source:murine bone marrow derived macrophages	time (h):18 | E coli treatment:live | genotype:HRAS +/+ | Sample source:murine bone marrow derived macrophages	time (h):18 | E coli treatment:dead | genotype:HRAS +/+ | Sample source:murine bone marrow derived macrophages	time (h):18 | E coli treatment:dead | genotype:HRAS +/+ | Sample source:murine bone marrow derived macrophages	time (h):18 | E coli treatment:dead | genotype:HRAS +/+ | Sample source:murine bone marrow derived macrophages	time (h):18 | E coli treatment:none | genotype:Cre KRAS +/+ | Sample source:murine bone marrow derived macrophages	time (h):18 | E coli treatment:none | genotype:Cre KRAS +/+ | Sample source:murine bone marrow derived macrophages	time (h):18 | E coli treatment:none | genotype:Cre KRAS +/+ | Sample source:murine bone marrow derived macrophages	time (h):6 | E coli treatment:live | genotype:Cre KRAS +/+ | Sample source:murine bone marrow derived macrophages	time (h):6 | E coli treatment:live | genotype:Cre KRAS +/+ | Sample source:murine bone marrow derived macrophages	time (h):6 | E coli treatment:live | genotype:Cre KRAS +/+ | Sample source:murine bone marrow derived macrophages	time (h):6 | E coli treatment:dead | genotype:Cre KRAS +/+ | Sample source:murine bone marrow derived macrophages	time (h):6 | E coli treatment:dead | genotype:Cre KRAS +/+ | Sample source:murine bone marrow derived macrophages	time (h):6 | E coli treatment:dead | genotype:Cre KRAS +/+ | Sample source:murine bone marrow derived macrophages	time (h):18 | E coli treatment:live | genotype:Cre KRAS +/+ | Sample source:murine bone marrow derived macrophages	time (h):18 | E coli treatment:live | genotype:Cre KRAS +/+ | Sample source:murine bone marrow derived macrophages	time (h):18 | E coli treatment:live | genotype:Cre KRAS +/+ | Sample source:murine bone marrow derived macrophages	time (h):18 | E coli treatment:dead | genotype:Cre KRAS +/+ | Sample source:murine bone marrow derived macrophages	time (h):18 | E coli treatment:dead | genotype:Cre KRAS +/+ | Sample source:murine bone marrow derived macrophages	time (h):18 | E coli treatment:dead | genotype:Cre KRAS +/+ | Sample source:murine bone marrow derived macrophages	time (h):18 | E coli treatment:none | genotype:Cre | Sample source:murine bone marrow derived macrophages	time (h):18 | E coli treatment:none | genotype:Cre | Sample source:murine bone marrow derived macrophages	time (h):18 | E coli treatment:none | genotype:Cre | Sample source:murine bone marrow derived macrophages	time (h):6 | E coli treatment:live | genotype:Cre | Sample source:murine bone marrow derived macrophages	time (h):6 | E coli treatment:live | genotype:Cre | Sample source:murine bone marrow derived macrophages	time (h):6 | E coli treatment:live | genotype:Cre | Sample source:murine bone marrow derived macrophages	time (h):6 | E coli treatment:dead | genotype:Cre | Sample source:murine bone marrow derived macrophages	time (h):6 | E coli treatment:dead | genotype:Cre | Sample source:murine bone marrow derived macrophages	time (h):6 | E coli treatment:dead | genotype:Cre | Sample source:murine bone marrow derived macrophages	time (h):18 | E coli treatment:live | genotype:Cre | Sample source:murine bone marrow derived macrophages	time (h):18 | E coli treatment:live | genotype:Cre | Sample source:murine bone marrow derived macrophages	time (h):18 | E coli treatment:live | genotype:Cre | Sample source:murine bone marrow derived macrophages	time (h):18 | E coli treatment:dead | genotype:Cre | Sample source:murine bone marrow derived macrophages	time (h):18 | E coli treatment:dead | genotype:Cre | Sample source:murine bone marrow derived macrophages	time (h):18 | E coli treatment:dead | genotype:Cre | Sample source:murine bone marrow derived macrophages
spermidine 13C7	236447.7	233347.1	252458.1	188080.4	361264.2	320394.8	330727.8	403261.8	169815.3	199415.2	113152.5	167321.8	422022.5	425695.5	468409.5	414828.1	0	0	0	64749.31	51463.92	77570.24	696181.7	966845	834377.8	23747.29	16621.02	25745.79	995941.3	1026904	1030040	0	0	0	66487.66	68711.45	57946.55	781115.8	622935.2	678526.4	27200.05	34745.42	13055.77	1154432	1371016	1246690	0	4243.299	0	60209.45	43848.09	65383.43	156839.8	92232.66	325920.2	220160.8	125632.3	175446.4	620544	749557.1	657295.7	0	0	3167.933	64150.12	59360.89	67967.24	67528.44	32505.32	68471.41	98820.77	122426.2	97915.79	624867.2	347146.8	352267.5
Glutathione 13C10	20181.21	15148.68	11062.5	10580.97	0	3452.523	0	3342.978	0	0	0	0	0	0	0	0	0	0	0	87793.9	96421.85	72427.8	3537.569	3868.738	4041.579	2797.338	3314.53	2920.983	0	0	0	0	0	0	92313.06	96012.44	107134.9	0	3542.522	270101.5	0	2632.222	1603.959	0	0	0	0	0	0	122167.2	124817.4	127088	0	0	0	4847.414	4487.017	0	0	0	3883.577	0	0	0	149342.6	211950.7	149498.1	0	0	0	4480.949	10062.58	8969.481	0	0	4157.348
Alanine	508358	439649	418313	363502	381958	638693	389003	440862	517190	485142	407642	362982	521519	608150	550086	602073	969387	817573	655373	381227	317653	357301	588745	636762	486361	606692	406087	453754	781195	731058	588466	671558	529782	550973	344972	377892	309610	579195	526185	12976960	543999	484329	404343	504841	535055	496625	1101835	958403	1078639	493514	472661	642954	517691	583167	665110	723716	736218	770061	1282336	1037081	1195950	1040748	1156242	921405	514276	563969	524660	907892	647834	563441	947759	885749	894634	1230238	1153625	798902
Arginine	2006366	2108810	1661842	1630551	1185060	1465324	1513339	1158481	930384	735560	774902	801269	1398883	1411017	1348648	1241505	2219725	1755058	1319105	2691920	2167320	2396394	1904848	2283409	1685524	1078947	638839	588949	1883699	1737951	1429454	1559971	1583365	1453339	2923870	2729922	2772296	2599444	2123302	71024700	1233324	753490	578497	1350919	1235116	1310631	3340889	3044948	2456402	3097899	2973274	2448617	3745596	3294588	3144529	1689119	1828446	1807188	3311049	2977898	3067477	2689708	2941182	2927576	4128833	3667218	3214521	5679646	4063645	4911596	2397476	2409974	1963961	4185686	3061963	2946653
Asparagine	110883	81520	57986	56774	100366	119187	94760	175834	77166	76871	60480	67855	210622	240897	207997	209377	133212	110240	117838	127249	113213	105289	118082	114427	92959	137192	115200	143725	164375	169244	132521	107611	97637	93025	127981	77417	103895	153808	107129	1312470	137776	100622	57753	127807	137450	114718	147198	162244	162402	216361	195572	157503	101243	101626	114006	277861	220466	160606	253710	238636	243208	193077	178323	131727	194213	191122	172692	164097	123107	118647	240798	222738	173074	231002	231706	160071
Aspartate	186876	188441	192598	191504	201226	219336	151235	272685	175157	126873	115167	151560	107132	134133	136758	128960	467723	575063	391869	268974	202889	278446	267508	254980	178411	186677	117053	170399	148263	207659	241231	294813	332328	246628	210307	201854	173318	253977	204077	8721700	274282	178462	146429	126465	151091	144298	1407664	1596249	1614437	261976	357694	194266	230091	263434	370463	144134	149796	155607	227283	218316	229777	721054	964701	687042	275782	217211	247066	236864	178635	225070	130633	149827	117288	209657	209403	138596
Cysteine	673007	625554	482644	525525	891063	898170	691151	890990	693445	623677	512236	572972	993329	1236101	1170359	1136034	1210554	1335669	1405291	1022505	909369	844372	978268	1215550	1047313	878669	687938	971174	1538435	1564093	1518731	877364	955774	961467	894942	892646	667079	1195616	1099448	1035169	794958	955172	619403	1261774	1344527	1305507	1326412	1298326	983757	1388882	1262127	1139493	1189591	1043214	1124504	1413078	1490381	1319975	2115986	2025209	2099120	1002163	1116792	914787	1751627	1656497	1386829	1313681	1246975	1503806	1304916	1557588	1213139	1864804	1618605	1578441
Glutamate	1729408	1797970	1902878	1916879	2722929	3276634	2345131	2950923	2881472	2696696	2373446	2416453	3150326	4367892	4049085	5100201	7766488	7563958	5864130	3890053	3325234	4621458	3487947	4283628	4004834	2415358	1819670	2416494	4867982	4945724	4672024	5183366	6287670	5313794	3214290	3196975	2587766	3592077	3150860	8676380	2532317	2626309	1684644	3315917	4011745	3640761	6807698	6135104	6855324	2358292	3463994	2420674	3170123	3658083	4673860	4510290	5195834	5501882	7036632	6907902	7788448	6149854	7515128	5889138	3524487	2945030	2393533	3809376	3177192	4841208	4812748	5820298	4435046	7247638	6756216	5063718
Glutamine	280685	243277	257526	268825	150087	330373	263956	166519	351365	385810	234519	240503	601680	717577	513575	625571	1671836	1753651	1073595	366730	273967	290046	573854	352683	440876	641818	331866	420362	824560	886652	701357	1086752	858211	809817	315837	329906	269285	669663	509229	741269	475812	608322	388085	795909	890294	727981	931322	959853	1009900	351182	302523	289818	537082	504268	557083	859034	823714	1021601	1448694	1419156	1461759	1040437	916712	855058	463046	343960	284159	848373	625878	696658	956086	1114338	825408	1434028	1449621	1084836
Histidine	179303	104587	123196	90534	102407	117463	112671	119645	120557	90585	68748	90698	121453	123556	103320	109180	147279	108341	157189	267764	172963	233194	165477	205169	142693	173197	150289	130580	122533	189767	149055	139263	97406	145791	241086	290005	181050	192466	134429	2440934	388595	127968	120919	110861	123387	142665	238897	245894	166375	222929	153878	324546	201017	191554	208012	194306	239097	274541	256154	317137	414725	280636	326415	223925	257069	225056	196015	267731	158435	177398	203763	220080	224965	268745	201053	205118
Leucine	1136899	838959	712733	528065	710581	853409	1339322	916985	936614	606910	595444	755822	742323	820130	1011496	702864	1321744	1301795	1154646	1687639	1373061	1819506	2180064	3492679	1824779	1662909	727056	1116606	1295222	1298704	898158	2062866	1726479	2038946	2086102	1859089	1566850	2662787	1577308	110391900	1400027	876867	641367	1157482	1218732	1124328	4308035	3089827	2887083	2762709	1898697	4933150	3219809	2988381	2223876	1931160	1582880	1496362	2761366	2500096	1947757	5128682	3635160	3797447	2496874	2336434	1506642	2726007	1637993	1999656	2107412	1846013	1830672	2390198	1803354	1542121
Methionine	194221	110330	164838	127008	151076	212441	178107	141869	92285	109415	92825	92345	137253	135437	136084	137572	288583	249602	214427	505285	536364	524523	421281	834666	368157	219988	165600	125195	206832	179511	150939	662482	315596	340535	503746	524257	454807	637305	420292	12107240	214575	178345	164417	206781	149131	260210	1278530	929981	738977	554685	331092	442876	954566	777191	267881	308736	382929	320365	564496	339327	374374	1535616	1163960	1036715	531854	495950	293437	679083	427704	385157	301843	338766	298195	277413	278553	417511
Phenylalanine	154459	110071	124008	81756	130619	163122	192209	166506	87831	105925	78621	94593	114397	100818	136448	134080	220727	137626	187315	305679	262556	178158	258852	449241	240752	205234	129016	116165	146980	164821	120661	216632	198082	220349	234729	329104	291710	300206	256731	41892010	295504	130953	123914	2206	116559	208195	610952	415285	357843	355712	229292	771448	361299	426509	246289	239030	255877	235947	459594	257203	330275	798631	624091	667980	236254	378255	249414	465395	274124	227557	230069	239594	251134	223118	202347	228813
Proline	6286326	6177452	8577907	8789846	1588392	2204280	1596374	1573718	1441575	1769357	1243321	1421927	1578259	1628379	1500106	1828837	2073076	1561839	1432376	14475520	21418000	21104450	1627341	1708809	1388986	2272426	2429912	1915228	1704285	1761473	1501669	1099233	953166	1002168	18292400	18648490	14817800	1882909	1679222	68338880	3240971	2235521	2213505	1252033	1177292	1197671	2182835	1941674	1780337	2292447	1801619	3961927	2100335	1865006	1610328	2429968	2410996	2962466	3307309	3447692	3535789	2819918	2382506	2109387	2787368	2464390	2097046	2506982	2351330	2218924	3276160	3372727	2910666	3291723	2692554	3010573
Serine	94100	65209	63683	53641	50561	94604	77086	83415	75837	88697	53494	102665	47080	98716	71482	83588	128624	106125	158446	121966	80615	114244	134454	141318	71197	139682	104513	138930	117254	237916	171931	138729	95728	108757	95623	127844	67677	151637	110846	21049260	437098	84230	69446	129295	150992	125985	173466	198325	151522	108526	105590	200011	109139	101216	122356	169900	152571	194501	150544	192026	326371	303742	246125	210546	131862	107143	100705	163036	153069	75279	185811	139924	143396	201792	204007	168470
Threonine	90783	68710	84143	69948	70620	89954	65792	80362	72454	77998	66170	84605	76346	109019	89689	89387	130001	116499	112085	153754	112927	132307	134067	160213	105868	119590	88765	120764	130521	142872	140991	113175	126021	94943	162779	159378	157434	168213	151051	14994150	244856	104430	94935	135421	123666	138959	205804	197703	154153	140620	133076	175235	127347	127849	122687	185691	186452	182340	225195	228391	267556	256551	255814	230469	161592	143540	100988	144565	136961	140540	187060	181569	166015	190536	189017	172101
Tryptophan	297228	190109	221344	162462	172974	213587	249168	218087	220140	197204	187384	159428	176436	184941	233643	216377	253415	236227	278637	397893	311322	294934	282761	352656	263187	328327	236941	212736	271070	264267	222117	192964	139019	169527	408621	325913	405520	340726	290897	4880522	853793	177347	168751	234134	203054	259430	391461	443210	284638	380305	437975	918942	403367	393735	308897	488798	485766	510241	665087	622061	506955	563700	434664	502049	471141	494665	369263	533135	603334	354313	547594	506335	493408	434373	438240	469641
Tyrosine	325218	190624	205468	226568	195738	195030	228262	212527	140336	159379	121543	148079	145641	128320	146495	118420	305720	206136	207555	574978	618534	494183	250796	305795	231377	294020	279122	244466	228869	240740	201218	243142	192013	177884	504561	650206	658567	325134	286289	42541550	473424	233930	231960	216154	199900	223083	416332	396335	392630	430859	337604	1094722	422588	347592	335781	391474	271021	380320	429699	465626	448329	628053	556445	401164	390415	412805	325133	396185	352856	298469	351383	303817	319006	325567	262329	372076
Valine	2463055	2225982	2247370	2103877	2431446	1803949	1953535	3563990	2033119	1909058	1798547	2125591	1887492	2009917	2028268	1655142	2564583	2108083	1993684	3632793	3199941	3956651	2150870	2149507	2011586	1982119	2268630	1995782	2299088	2281719	2097794	2307070	2126260	1966402	3759562	3928609	3625918	2366485	2474779	108714800	2653298	2158930	2027838	2073474	2125960	2253461	3071817	2936575	2966222	2792068	2392422	6654146	2971517	2512338	2293674	3062925	2508447	3032204	3473011	3535224	3484604	3947889	3305233	2822778	2672285	2554399	2425896	2790112	2601860	2187333	2877768	2734637	2528173	3175225	3000243	3368039
Adenosine	2226677	1060914	1883711	1763569	1366143	4915786	2363061	2242038	918759	4408648	3050288	2375221	557050	801796	2818135	1413344	10172640	5133792	3710672	2895754	3374846	2660519	2663790	7539484	2943214	1800838	1422262	1431283	1856789	2071245	1244521	5657368	6254502	6645154	1456533	1262169	1415476	3082838	1987392	1258818	723342	813106	572806	1028254	780719	3925168	6316914	5418214	5295000	1541097	876932	723584	2147993	1705695	1981329	3247235	1059723	5150592	3983854	2394928	1568964	4655442	3505906	1610956	841532	1039165	625585	967800	610598	558823	973283	1585999	1197608	2192660	1267756	5441058
Adenine	1480139	802200	1540600	1450240	906844	2780976	983857	1281443	473296	1639111	1083985	848641	202626	270554	699660	425815	1881524	1231613	803174	2668284	4030811	2908872	1359842	2968982	1283677	1465637	1856926	1290113	533429	688869	373088	1116743	1186113	1274720	1759272	1222595	1197391	1367654	970441	1004184	952021	1125026	866107	357018	286326	1015627	1295401	1343200	1335851	1726908	1120587	916296	1303450	1007795	982349	1129513	768275	2634835	961836	616243	535383	1173462	914276	483032	1178631	1157938	849250	798900	706420	540413	752671	900672	708101	749663	508426	1211421
Xanthine	223328	237541	135417	167548	208483	175496	193807	200345	140452	132820	126069	140723	220633	183581	243418	248424	249550	197556	255449	196375	200927	215110	216451	149973	124879	191912	186978	154505	226775	230792	267301	206219	252314	272174	252622	250268	224582	182194	193583	17205800	252459	212259	230205	222591	214349	289317	382099	300576	241792	170961	313884	340939	205699	199437	324737	311971	301174	301631	287097	378420	355387	290436	334949	322512	286435	266870	284073	180982	222655	285191	283026	251251	318538	327943	295426	285004
Allantoate	116502	67036	91627	62508	60112	48840	58912	69365	82953	95714	59886	88394	66069	48326	47048	54842	31137	33552	80989	32654	15410	31089	23305	23587	18272	131063	87645	81709	41134	77896	80475	13190	24232	29472	40910	49562	24822	29805	25206	5132588	329881	66936	58975	46774	40007	38430	17695	27793	30949	24497	11573	78955	13069	13050	58641	88652	83893	83168	53082	59478	124577	79089	76429	58721	45068	79960	49755	30690	72883	18665	143136	102445	92516	58235	52827	52156
5-Hydroxyisourate	3990	6375	0	4634	0	4286	8034	6303	6651	11613	6181	8831	12594	26949	14439	28459	60821	57163	44748	8091	4875	6161	31562	10966	13089	18064	11112	14601	38107	44573	35836	20054	21321	21588	10603	5143	6730	17997	7154	34074	9249	23124	13018	18670	33192	25336	49329	39123	33416	8647	13439	3839	14998	14643	21748	47779	51402	47501	81139	92219	107288	35008	28885	19449	17653	7496	15692	32115	28729	30288	48661	55285	32722	66854	68787	58204
Nicotinamide	2402153	1666934	2342408	2078571	2466940	2141778	1811741	2672993	1555508	1769718	1331988	1268556	2714701	3281713	3064407	3539503	7292390	4605368	5786526	7200090	9180709	5420750	4548278	6048148	4864636	5375324	5170930	4508990	3644023	3828759	3865993	6145748	5313300	4835606	4180253	5573858	4314338	3685796	3311393	6154146	5367625	4821958	4370770	4011836	3822975	5203918	15178240	11120800	10824010	10412740	8860741	8897141	7399554	9082453	5820794	9099619	12953830	11289980	14063010	10118910	12143530	11223140	10865030	9471986	5980018	7484050	6971250	8334270	6545774	6612318	6614518	11236720	8388584	7480788	9368785	8414073
NAD+	163063	134340	155950	138854	161951	100048	109284	143894	11764	19071	13480	16940	19789	34066	11880	26723	128740	166228	123021	394277	374625	413686	35072	23728	42613	46785	57613	79674	10922	9998	16161	45423	128964	97537	423473	421023	367240	45594	81257	63279	75745	70624	94126	21527	11539	35034	162475	157256	159162	136807	247637	185895	69833	79611	99004	37698	89912	41679	42510	83535	78207	50606	115508	128184	289708	257719	265749	158982	148003	218712	80549	89894	101020	72661	70927	63508
5-Oxoproline	577821	605481	602444	629476	851194	993770	784226	906360	831164	888006	715513	814782	1150869	1654708	1375060	1763924	2808796	2823400	2167404	1225003	1004980	1359767	1230444	1317915	1236458	1026034	684416	847290	1728934	1719976	1673132	1814186	2224587	1933706	1028368	904629	829176	1292348	1198318	61181930	1259284	962963	677480	1325332	1530250	1534774	2215239	2305430	2446932	775676	1071166	840164	1188805	1317771	1502533	1720066	1724893	1791665	2697235	2798115	2893953	2279952	2618879	2018615	1177533	990444	820942	1478289	1070345	1694730	1869344	1946707	1702305	2823558	2520723	2006583
Cys-Gly	73100	40184	48598	40299	110329	81988	104704	102786	61941	53595	44498	56720	92608	131287	115787	112872	194815	156832	138439	137327	155682	127168	65676	91692	88098	83489	56079	87997	118236	98213	111526	86677	118713	103449	112118	126129	125566	64543	39211	108241	87397	79248	60633	78236	96375	51068	297725	259668	263605	123739	158886	94221	122722	108943	165483	166416	159723	169973	277335	263321	283556	184579	225869	192134	116733	154443	116593	149232	108621	159109	162405	191420	173548	223543	187200	176098
gamma-L-Glutamyl-L-cysteine	136023	93222	90526	80718	90211	90145	89941	101196	128780	118588	98934	117415	167431	236160	228095	258962	140341	163955	132334	232030	186722	166674	77901	112600	107950	157008	111073	153722	176955	120589	144244	75374	83378	88694	218911	177365	225663	89354	63484	127178	117866	148128	141090	120970	156683	122478	159665	142596	135926	186408	210483	130694	94796	77461	115448	150622	194981	170280	248225	355655	258784	120627	130065	114265	167629	236897	200282	126500	95014	119528	176536	201169	177705	217348	188898	197579
gamma-Glutamyl-Se-methylselenocysteine	62247	29728	31321	12875	26963	2238	17790	21619	35863	40889	16843	32102	19328	27463	7079	20002	6476	4104	19209	6062	5196	3542	4453	11831	0	47356	11919	27972	11689	27514	18333	0	4133	9782	13693	13696	2598	2345	0	1748194	111406	15792	16732	14084	11409	21105	2236	3497	3014	6773	0	49354	0	0	9838	35632	38653	25027	11377	16903	61831	20590	34445	38674	15489	14042	0	8047	45027	6601	47925	38258	52037	29504	7358	15678
gamma-L-Glutamyl-D-alanine	41080	48457	42995	49189	110871	107906	97296	133505	45997	50185	39406	47360	46958	63633	62204	70353	52016	61960	56376	86151	81488	78232	83628	113665	80006	49432	48857	53690	31594	39009	33764	58260	63011	46400	84718	81172	84611	104656	96424	365976	63692	53611	48637	46909	32866	51013	110111	102333	99051	80460	88563	79861	115875	117256	92004	38591	44724	43041	52468	84619	69299	134002	127213	97404	100866	92040	82647	134485	93790	115235	57787	59337	56760	63326	43579	58224
gamma-Glutamyl-gamma-aminobutyrate	34494	24273	22502	24737	51883	51636	49143	42738	24131	33338	29901	30002	49294	55963	54211	50979	104308	86608	78762	122336	135208	107170	137726	206905	166000	48704	43368	38787	37611	63077	48607	106054	97470	116448	137959	149571	153423	165877	191441	503184	55868	47670	33817	72247	76226	74558	250613	236160	168869	162330	170241	140062	249943	261446	131770	89974	71731	91689	155960	114123	148102	212173	213462	185804	145940	185152	131673	273747	229035	219298	103972	105484	83101	119825	113022	134057
gamma-L-Glutamylputrescine	38301	28464	19540	24505	32470	66811	56924	37213	11239	24219	26925	31398	11312	26194	34679	45140	58234	77202	76584	114933	68939	97108	140941	287596	136187	41334	26789	27034	41559	43995	26776	133167	85862	113699	88090	147618	89896	227878	170216	280520	40685	39142	13137	44293	37244	84836	210771	155464	165852	123376	108444	110138	177125	188099	187287	81864	79584	82946	85430	110190	58628	236577	238555	195485	136259	112052	112894	201273	147396	157732	58140	69070	38804	75211	67339	94202
(5-L-Glutamyl)-L-glutamine	3447	4784	3503	2379	6083	12797	5125	6128	5550	6842	0	6202	3931	8356	9415	10328	26945	18173	23156	17672	14230	15455	24475	45208	27560	2881	7284	10382	10350	9011	11309	22095	13067	15666	17397	20108	25023	30391	35304	48825	5047	4444	5537	16150	13855	19771	57863	46046	36173	26348	33069	17903	34651	41128	30388	12933	18826	17740	30131	34769	26430	36550	40509	30082	30658	34441	30306	47669	29598	33673	18405	13048	14443	19308	20800	19402
L-Homocysteine	35220	48751	124301	132787	74594	88951	31646	21927	70372	107029	100485	85895	26071	11581	29395	78469	144180	68739	91233	114581	83521	76844	89040	91386	35874	30639	196862	43910	66748	132546	35920	70899	24053	27608	112370	29744	60998	101953	119122	34822	36678	149494	40275	82285	21830	132121	52933	51417	99452	33552	71501	19580	77547	97871	23875	124962	32276	133556	30546	33642	34524	132495	28301	58130	97010	61622	30758	93698	88615	104056	85794	19183	38411	16307	107291	89773
S-Adenosyl-L-methionine	28877	30418	18378	40843	28422	29819	19472	35166	19685	17644	7099	8576	36320	40168	30474	58292	80363	92566	86899	94911	56173	110295	56835	70678	69207	46536	32600	46776	40991	39928	66489	62983	66607	52092	80336	79206	59142	32867	16761	44726	65796	58327	53670	48602	16011	40784	38657	49091	51837	28115	29634	28097	16180	18160	38632	75630	43395	53643	89929	82675	68823	20214	31967	44346	47080	48541	36112	29815	14041	38520	54544	61335	41972	52918	70353	66050
Ornithine	240467	150563	190069	107672	145397	83235	118810	140183	169552	142474	103396	175841	96870	105114	82402	106450	82230	56362	130907	73701	57842	80324	59357	47369	41074	166092	130947	148935	84553	176923	145390	46395	39281	58056	16085	103082	62561	48058	49968	17819850	681215	98626	123211	121091	80601	76698	58151	65626	59652	64634	81418	203976	44926	48549	106857	208038	203373	114039	119753	91305	279997	149238	158830	131033	98881	124960	84465	102958	131837	42765	299619	200178	229643	88542	117010	152981
L-Citrulline	271082	301886	283350	316825	318632	292043	211217	343419	941182	1020268	702767	904744	652503	987612	626100	894889	329997	320449	306118	421184	367262	385547	353031	345124	303407	930890	713320	862604	677656	861678	804720	218147	255246	228595	312865	342113	290200	259893	254484	1373636	976397	784013	660160	678496	821493	819480	259368	205296	253879	241961	225108	276493	178847	160288	184645	1348385	1304358	1240536	1359446	1774370	1692818	487190	405563	277122	272209	259452	322006	336597	311247	364442	1984750	1814305	1515327	1709245	1818000	1424331
Cadaverine	148374	172082	100676	119851	143851	152573	100700	140287	149628	164624	141038	138995	152879	163216	148864	212594	0	0	0	168592	176700	176073	112069	112441	99993	127053	118750	143511	288448	259158	276444	0	0	0	192957	169810	143068	127049	139464	158771	154287	119380	62779	177485	220671	239273	0	0	0	340291	362945	346599	166501	210872	197479	284319	412428	376928	327229	491576	868585	0	9754	0	480475	449561	372998	130895	158679	168819	253383	284839	232363	228788	304288	268661
Putrescine	783790	847945	568696	628717	810363	832583	685309	1020207	582215	489047	470451	510859	310420	329214	371989	525851	145239	161464	169866	926940	1054980	852301	244842	343246	284454	849279	832466	966805	238709	243264	520523	99921	136231	139755	897277	976382	821492	289192	285828	591593	1035314	997396	571505	161672	210266	209033	174501	130575	149103	1011706	1019164	1162940	239157	249362	310238	945915	1123548	1058761	418994	501960	714624	129475	168558	119305	1254891	1002602	1214162	255615	217907	250699	849177	1064603	840126	259788	299092	225478
Spermidine	2308320	2052937	2534708	1843322	6217382	6404774	7121226	7625316	4148358	4116787	2521349	3875683	9518732	8642555	10015310	9983163	10567540	11979750	13035630	2137306	1564984	1793969	4948491	6803046	5676998	2450150	1715751	2333764	6592518	6333696	6245700	10786200	11116870	12552850	1664915	1831033	1894900	5491732	4574874	4895365	2641461	3803081	1765687	7435786	8172868	6857412	8412033	9912513	9415252	617766	326731	943741	1347493	893915	2488205	7309594	4953803	5665142	9067004	10279100	9087917	10384140	10848690	9919669	616912	478650	707916	614260	288856	709270	3389116	3240437	3225305	8449359	5342132	5312024
Spermine	7545	13161	18895	20188	86985	163291	174570	111834	22349	45741	21428	36427	106593	246893	273481	60099	162693	760828	249047	3880	21249	4586	49030	65925	42068	7800	13284	3482	30651	45105	47923	2053819	1290431	1364806	3618	10811	9581	84856	25442	27353	2737	18547	7350	145902	168111	33049	54959	90692	62566	3021	2713	2007	6182	4885	6903	6326	13980	13457	16008	23695	29112	54757	134985	137990	3839	4514	1834	7032	4929	6896	4885	2266	10651	100807	19823	12601
Creatine	1384108	1317502	2123108	1873791	5498024	7359738	3868668	5038356	3633823	5532514	2740458	2818781	4667148	6163130	5419536	6541566	10347300	7584952	7543598	2059755	3621591	2584013	3798457	4122941	3890423	3085737	3175044	2741514	5583672	5180808	4243898	5744994	6107776	6634166	1040834	824020	830674	2782950	3292522	4303944	2414790	3070684	2046605	3964623	3996755	4241754	9694841	8744740	10971550	1857291	2930719	6394228	3997534	4394958	3684921	5926342	5410618	6809074	8773380	7501522	7694282	11047670	9756316	7966270	4205188	3533470	2678192	4959002	5786914	5689164	6822192	7559882	6844336	8335048	8213082	10785040
Creatinine	41943	21378	51183	19854	59813	71271	49828	584611	54273	62815	37813	50474	39529	66265	47832	58694	84565	54387	64502	27835	41669	37543	37832	40682	34831	51797	39559	38476	56796	61946	55260	39597	51264	43650	18141	19207	15596	40281	40897	6120550	170844	46587	52546	50874	35475	54318	51410	50443	64876	30025	35673	67741	58146	53075	47907	64368	62356	65427	67228	71255	81151	68268	71574	69392	49358	47113	31144	58025	49455	56863	75785	53680	66192	62351	62040	85271
4-Acetamidobutanoate	23223	16555	25540	22739	32650	36776	15415	36598	23889	26269	27607	30885	34176	37426	32095	29257	54297	48367	37447	28917	29833	15397	24127	28834	28061	19031	23053	23932	37462	29791	19262	37716	55752	34997	18946	22624	28080	25119	27547	49766	21919	28450	22336	29628	26421	25921	29023	25834	32175	20065	43852	179742	9639	32378	17212	33402	29978	26300	32891	31922	34580	25837	15615	23655	24648	19060	21129	19793	26649	21746	33331	36347	12912	30738	35133	31928
N-Acetyl-L-citrulline	44270	15082	17494	4269	38986	44498	18209	41755	0	4060	1918	2491	7383	4703	5748	3677	18007	17636	17641	34076	39653	28222	42702	100493	41410	8065	6002	5907	5661	7798	4289	42951	25246	36297	30811	31952	32664	69144	54878	78512	6590	3776	2703	19351	16371	20266	41144	43966	41207	31347	21333	32002	57054	61927	34954	7193	12085	4113	24921	18975	7903	86967	59519	45184	36282	33837	25656	56293	50344	38392	14422	9486	12078	12285	14665	18997
N-Acetylornithine	28628	15535	30229	21402	30467	49860	40649	39887	22657	33864	30506	34332	18490	27614	39295	26095	96304	77687	70385	100695	146051	98575	194493	330913	175285	46164	48028	39757	46699	46190	43201	225401	114405	142751	128327	160993	148813	242987	250981	6575592	60362	41065	35093	66126	66341	74330	286610	237406	203589	187918	134343	154401	307131	234092	163638	63537	68789	88289	102063	103246	103724	383018	312033	241272	164968	177202	128411	265364	213622	221526	65636	80040	57875	87787	82196	100211
Guanidinoacetate	69290	72097	87715	101862	230400	241201	151653	266077	83226	74835	66105	68902	62430	83900	86870	105055	190167	204489	150725	98736	97982	81986	179000	170265	130280	25865	34012	30105	47965	75181	55588	136024	155766	147740	59854	50761	70732	160902	158788	185830	30869	30471	27751	59176	67055	65453	161225	160084	148287	47552	64209	56627	53684	87441	81983	52865	75497	58023	75229	75536	84792	232498	223360	251803	145925	131320	125716	170082	177761	187401	103855	123654	100735	131592	170388	101285
L-Methionine S-oxide	83814	45862	28851	22556	17130	38516	75740	64544	19780	38081	19628	18187	52693	56512	68427	17578	36445	26218	23163	24763	140666	27749	42182	37302	129183	96014	33951	77883	26449	16180	67900	34259	114956	105971	30868	160576	54218	39852	50607	1319043	64069	23972	28565	25510	77464	32708	218894	47952	56674	145199	19136	118993	57550	68655	118990	34014	83316	40429	125596	108504	108828	68333	234607	164674	40048	47792	121207	51929	57462	34608	35330	117474	90355	126973	33327	45092
Indole-3-acetate	219550	151510	120925	142011	235792	164397	316094	154425	105235	72556	99110	76735	148817	120432	156120	132735	632228	391983	335052	84932	74994	45010	182774	136734	148259	142535	75810	69240	156441	98061	105822	190723	156448	194513	71172	111827	125641	239950	188049	204823	56289	66417	39906	64774	67935	63501	176367	167464	201036	142894	132422	110401	241864	201400	115424	172623	172405	112621	224238	201078	134458	184998	162537	215072	169720	149854	112698	399832	259806	220164	207139	196891	303407	138612	142654	121074
Indolepyruvate	18628	7031	3035	5181	11241	8255	14304	10713	6791	2913	6099	5633	8396	0	3941	3466	11058	9398	11387	34886	26680	22415	11853	18248	10969	18195	14477	9676	9810	7308	8420	13682	5554	6745	32210	32687	39782	15610	7864	1185804	22046	10801	10079	5361	6364	8143	19551	17906	7984	15015	5907	63940	23222	13509	15290	15071	19360	17585	22494	27025	17657	30013	27661	21513	14500	15897	13667	25011	24634	8795	21429	22568	15651	14988	11986	10665
kynurenine	5034	3582	14748	5273	15145	68319	17764	14379	4407	40517	6766	24274	5215	17587	4901	33406	33654	32606	31914	6733	10979	6268	22929	27584	15712	3678	5035	3694	11931	18280	2829	27424	11377	21566	8947	4105	3585	14875	13095	96632	6833	5539	10834	24084	10394	29399	22981	20364	40798	3499	4854	12420	5560	6914	2600	41169	9151	26311	17616	22491	27085	52841	29874	27566	8847	5914	3153	11479	3629	8322	6017	4640	7659	7124	19794	36505
N-formyl kynurenine	3164	5313	4978	2239	10690	17027	13808	13658	10181	3588	21778	28060	6496	9240	7579	19598	36220	24271	33758	27247	29163	28639	49848	113398	44719	7410	0	8636	15268	43187	9216	56439	28932	32678	35607	34666	40184	67004	62872	102550	2918	53804	17150	20815	20344	60360	80941	61862	35315	35290	33338	33478	80076	75065	33569	17684	6301	33118	36925	32568	13936	57839	53543	56068	51176	57212	40853	58720	50488	57397	14137	16121	19796	20372	25827	35451
Anthranilate	40846	29157	42785	65362	45854	60490	40595	36337	33252	47486	38590	41862	31746	38978	39934	34131	101111	56379	61882	62277	83555	86253	62692	68999	46295	34537	39629	37456	37844	56339	45738	44466	40877	43356	78626	84475	69320	43118	79669	286701	41078	40030	45139	40273	37350	48874	60753	73149	66148	61641	64336	230107	72495	71337	64237	46744	39587	60609	47595	55349	66410	73245	67132	63018	61874	56190	52678	89645	68224	69869	47584	48077	47384	63683	54485	56504
Picolinic acid	454970	310067	389161	328024	229325	170527	185107	198608	134537	127055	139982	129902	142773	115916	122254	141288	107502	106265	112495	968957	935769	516271	172576	183904	171530	388181	428634	286307	145190	146886	139027	109763	99849	104670	536642	897579	681033	141736	161707	185030	398972	322139	395791	136951	120715	152115	125994	115893	122413	504527	402464	521145	110160	160354	126036	175002	221938	230236	181521	129260	158566	114885	119553	113077	315431	459517	435480	187615	168989	160319	202780	224559	216112	141807	161311	150433
g-Oxalo-crotonate	152939	70682	134047	108866	126255	184612	155534	168874	88936	163007	92787	102351	198362	150625	210275	226583	456027	253879	399874	229227	368671	215603	185016	313259	207455	177641	147452	106706	156527	145062	154647	409401	299053	326451	135109	201806	166575	173213	113938	3043374	131541	100571	85815	92065	79177	150943	1072739	735472	1063690	333101	285208	426854	352648	447993	207393	318354	378610	480226	515596	398455	325297	1454268	1050379	1012172	238802	392861	258969	384668	276227	274696	360498	480302	528280	326199	326075	498540
Acetylcholine	136610	115462	155241	127492	403883	381192	314526	355984	230322	274498	213703	219963	196176	209670	205925	223345	480154	407549	392186	297721	373322	304166	630662	592569	499148	173392	202949	218454	298257	229408	232755	214906	300804	328243	227596	218279	255942	606887	791761	475938	155508	187709	125169	222575	200393	271877	673531	747870	764875	269140	377599	1001812	413403	501734	366921	383523	391149	621886	600988	586891	612124	825085	694150	654131	409531	424171	307113	550953	462207	522648	375517	466138	409465	385429	485942	557157
acetyl-carnitine	334306	195085	214439	182189	945692	813228	802922	704610	109666	120780	90233	112843	175663	208827	196712	214383	586296	374534	354048	224504	315896	188756	679873	703766	785957	124618	113096	104958	252696	195682	240949	151118	181020	225264	139719	177961	205386	655178	645473	546807	134395	89321	71105	176699	167430	193365	380950	305994	390494	325036	495798	2958909	818474	853865	638002	230057	221581	245844	466720	364400	436032	458759	439672	361845	552070	679525	600922	1495503	1328118	1393394	332983	330127	335013	401431	374413	455041
propionyl-carnitine	32853	23758	45496	49251	183333	86581	117083	232566	11363	12967	19103	19513	11003	31497	30291	36213	154900	137016	160718	85574	108863	75913	120646	224564	208850	32589	33669	47581	32670	36131	24461	80724	86058	107994	48196	66145	76282	109983	162323	245612	54641	34191	29831	45371	51358	51362	326119	247557	297443	171635	319313	264500	314780	387336	449151	89875	97513	97720	168555	166874	92269	214810	282370	186312	279273	318118	328141	297519	258912	424775	55186	70180	92545	73469	75896	77518
butanoyl-l-carnitine	34005	32625	34914	33870	30205	44358	38746	38448	22944	31876	41832	31284	32871	40291	28014	31790	32752	29747	37790	30415	38044	29793	33532	21955	33204	35634	41420	41199	31612	34864	36495	35143	31357	33571	43846	37681	30746	53303	30777	138861	32410	47370	30367	15925	31901	45856	27063	34206	39904	37086	45693	36779	33142	35736	32922	35297	34063	32951	36089	28670	40071	45588	34655	30422	35922	33225	35238	33975	52668	43302	37558	30537	32882	31445	33925	35188
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	KEGG ID	m/z	r.t.
spermidine 13C7	C00750	153.1885	0.5673313
Glutathione 13C10	C00051	318.1241	0.7073272
Alanine	C00041	90.0557	0.64
Arginine	C00062	175.1191	0.62
Asparagine	C00152	133.0606	0.64
Aspartate	C00049	134.0449	0.65
Cysteine	C00097	122.0274	0.66
Glutamate	C00025	148.0605	0.65
Glutamine	C00064	147.0763	0.64
Histidine	C00135	156.0769	0.61
Leucine	C00123	132.1021	0.75
Methionine	C00073	150.0578	0.79
Phenylalanine	C00079	166.0860	1.44
Proline	C00148	116.0710	0.67
Serine	C00065	106.0504	0.64
Threonine	C00188	120.0658	0.65
Tryptophan	C00078	205.0970	1.72
Tyrosine	C00082	182.0810	0.69
Valine	C00183	118.0866	0.67
Adenosine	C00212	268.1035	0.69
Adenine	C00147	136.0618	0.69
Xanthine	C00385	153.0400	0.62
Allantoate	C00499	177.0609	0.61
5-Hydroxyisourate	C11821	185.0314	0.64
Nicotinamide	C00153	123.0556	0.85
NAD+	C00003	664.1152	0.67
5-Oxoproline	C01879	130.0499	0.65
Cys-Gly	C01419	179.0485	0.69
gamma-L-Glutamyl-L-cysteine	C00669	251.0692	0.74
gamma-Glutamyl-Se-methylselenocysteine	C05695	313.0323	0.62
gamma-L-Glutamyl-D-alanine	C03738	219.0975	0.67
gamma-Glutamyl-gamma-aminobutyrate	C15767	233.1131	0.69
gamma-L-Glutamylputrescine	C15699	218.1497	0.60
(5-L-Glutamyl)-L-glutamine	C05283	276.1188	0.67
L-Homocysteine	C00155	136.0409	1.74
S-Adenosyl-L-methionine	C00019	399.1443	0.61
Ornithine	C01602	133.0973	0.61
L-Citrulline	C00327	176.1029	0.65
Cadaverine	C01672	103.1234	0.59
Putrescine	C00134	89.1080	0.59
Spermidine	C00315	146.1651	0.57
Spermine	C00750	203.2228	0.55
Creatine	C00300	132.0770	0.66
Creatinine	C00791	114.0665	0.66
4-Acetamidobutanoate	C02946	146.0811	0.69
N-Acetyl-L-citrulline	C15532	218.1134	0.67
N-Acetylornithine	C00437	175.1077	0.68
Guanidinoacetate	C00581	118.0615	0.65
L-Methionine S-oxide	C02989	166.0530	0.68
Indole-3-acetate	C00954	176.0704	1.91
Indolepyruvate	C00331	204.0631	0.69
kynurenine	C00328	209.0900	0.58
N-formyl kynurenine	C02700	237.0897	0.67
Anthranilate	C00108	138.0548	0.67
Picolinic acid	C10164	124.0395	0.88
g-Oxalo-crotonate	C03453	159.0276	0.88
Acetylcholine	C01996	146.1176	0.67
acetyl-carnitine	C02571	204.1230	0.69
propionyl-carnitine	C03017	218.1386	0.69
butanoyl-l-carnitine	C02862	232.1542	1.76
METABOLITES_END
#END