#METABOLOMICS WORKBENCH juliehaines_20241125_131224 DATATRACK_ID:5396 STUDY_ID:ST003604 ANALYSIS_ID:AN005921 PROJECT_ID:PR002231
VERSION             	1
CREATED_ON             	December 5, 2024, 7:19 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                   	Investigation of global metabolites and E coli-derived metabolites following
ST:STUDY_TITLE                   	engulfment of dead bacteria by wild type or RagAGTP-expressing bone marrow
ST:STUDY_TITLE                   	derived macrophages.
ST:STUDY_SUMMARY                 	Global metabolomics and 13C-tracing analysis of wild type or RagAGTP-expressing
ST:STUDY_SUMMARY                 	bone marrow derived macrophages exposed to heat-killed uniformly 13C-labelled E.
ST:STUDY_SUMMARY                 	coli in a trans-well system for 6h or 18h.
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           	-	CT WT 1	time (h):0 | Dead E coli treatment:no | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:WT	RAW_FILE_NAME(raw file name)=F2-64-01-
SUBJECT_SAMPLE_FACTORS           	-	CT WT 2	time (h):0 | Dead E coli treatment:no | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:WT	RAW_FILE_NAME(raw file name)=F2-64-02-
SUBJECT_SAMPLE_FACTORS           	-	CT WT 3	time (h):0 | Dead E coli treatment:no | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:WT	RAW_FILE_NAME(raw file name)=F2-64-03-
SUBJECT_SAMPLE_FACTORS           	-	CT WT 4	time (h):0 | Dead E coli treatment:no | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:WT	RAW_FILE_NAME(raw file name)=F2-64-04-
SUBJECT_SAMPLE_FACTORS           	-	WT 1 6h	time (h):6 | Dead E coli treatment:yes | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:WT	RAW_FILE_NAME(raw file name)=F2-64-05-
SUBJECT_SAMPLE_FACTORS           	-	WT 2 6h	time (h):6 | Dead E coli treatment:yes | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:WT	RAW_FILE_NAME(raw file name)=F2-64-06-
SUBJECT_SAMPLE_FACTORS           	-	WT 3 6h	time (h):6 | Dead E coli treatment:yes | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:WT	RAW_FILE_NAME(raw file name)=F2-64-07-
SUBJECT_SAMPLE_FACTORS           	-	WT 4 6h	time (h):6 | Dead E coli treatment:yes | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:WT	RAW_FILE_NAME(raw file name)=F2-64-08-
SUBJECT_SAMPLE_FACTORS           	-	WT 1 18h	time (h):18 | Dead E coli treatment:yes | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:WT	RAW_FILE_NAME(raw file name)=F2-64-09-
SUBJECT_SAMPLE_FACTORS           	-	WT 2 18h	time (h):18 | Dead E coli treatment:yes | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:WT	RAW_FILE_NAME(raw file name)=F2-64-10-
SUBJECT_SAMPLE_FACTORS           	-	WT3 18h	time (h):18 | Dead E coli treatment:yes | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:WT	RAW_FILE_NAME(raw file name)=F2-64-11-
SUBJECT_SAMPLE_FACTORS           	-	WT 4 18h	time (h):18 | Dead E coli treatment:yes | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:WT	RAW_FILE_NAME(raw file name)=F2-64-12-
SUBJECT_SAMPLE_FACTORS           	-	CT RagA GTP 1	time (h):0 | Dead E coli treatment:no | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:RagA GTP mutant	RAW_FILE_NAME(raw file name)=F2-64-13-
SUBJECT_SAMPLE_FACTORS           	-	CT RagA GTP 2	time (h):0 | Dead E coli treatment:no | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:RagA GTP mutant	RAW_FILE_NAME(raw file name)=F2-64-14-
SUBJECT_SAMPLE_FACTORS           	-	CT RagA GTP 3	time (h):0 | Dead E coli treatment:no | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:RagA GTP mutant	RAW_FILE_NAME(raw file name)=F2-64-15-
SUBJECT_SAMPLE_FACTORS           	-	CT RagA GTP 4	time (h):0 | Dead E coli treatment:no | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:RagA GTP mutant	RAW_FILE_NAME(raw file name)=F2-64-16-
SUBJECT_SAMPLE_FACTORS           	-	RagA GTP 1 6h	time (h):6 | Dead E coli treatment:yes | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:RagA GTP mutant	RAW_FILE_NAME(raw file name)=F2-64-17-
SUBJECT_SAMPLE_FACTORS           	-	RagA GTP 2 6h	time (h):6 | Dead E coli treatment:yes | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:RagA GTP mutant	RAW_FILE_NAME(raw file name)=F2-64-18-
SUBJECT_SAMPLE_FACTORS           	-	RagA GTP 3 6h	time (h):6 | Dead E coli treatment:yes | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:RagA GTP mutant	RAW_FILE_NAME(raw file name)=F2-64-19-
SUBJECT_SAMPLE_FACTORS           	-	RagA GTP 4 6h	time (h):6 | Dead E coli treatment:yes | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:RagA GTP mutant	RAW_FILE_NAME(raw file name)=F2-64-20-
SUBJECT_SAMPLE_FACTORS           	-	RagA GTP 1 18h	time (h):18 | Dead E coli treatment:yes | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:RagA GTP mutant	RAW_FILE_NAME(raw file name)=F2-64-21-
SUBJECT_SAMPLE_FACTORS           	-	RagA GTP 2 18h	time (h):18 | Dead E coli treatment:yes | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:RagA GTP mutant	RAW_FILE_NAME(raw file name)=F2-64-22-
SUBJECT_SAMPLE_FACTORS           	-	RagA GTP 3 18h	time (h):18 | Dead E coli treatment:yes | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:RagA GTP mutant	RAW_FILE_NAME(raw file name)=F2-64-23-
SUBJECT_SAMPLE_FACTORS           	-	RagA GTP 4 18h	time (h):18 | Dead E coli treatment:yes | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:RagA GTP mutant	RAW_FILE_NAME(raw file name)=F2-64-24-
SUBJECT_SAMPLE_FACTORS           	-	CT WT 1 + Conca	time (h):0 | Dead E coli treatment:no | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:WT	RAW_FILE_NAME(raw file name)=F2-64-25-
SUBJECT_SAMPLE_FACTORS           	-	CT WT 2 + Conca	time (h):0 | Dead E coli treatment:no | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:WT	RAW_FILE_NAME(raw file name)=F2-64-26-
SUBJECT_SAMPLE_FACTORS           	-	CT WT 3 + Conca	time (h):0 | Dead E coli treatment:no | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:WT	RAW_FILE_NAME(raw file name)=F2-64-27-
SUBJECT_SAMPLE_FACTORS           	-	CT WT 4 + Conca	time (h):0 | Dead E coli treatment:no | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:WT	RAW_FILE_NAME(raw file name)=F2-64-28-
SUBJECT_SAMPLE_FACTORS           	-	WT 1 6h + Conca	time (h):6 | Dead E coli treatment:yes | inhibitor:150 nM concanamycin A | Sample source:murine bone marrow derived macrophages | genotype:WT	RAW_FILE_NAME(raw file name)=F2-64-29-
SUBJECT_SAMPLE_FACTORS           	-	WT 2 6h + Conca	time (h):6 | Dead E coli treatment:yes | inhibitor:150 nM concanamycin A | Sample source:murine bone marrow derived macrophages | genotype:WT	RAW_FILE_NAME(raw file name)=F2-64-30-
SUBJECT_SAMPLE_FACTORS           	-	WT 3 6h + Conca	time (h):6 | Dead E coli treatment:yes | inhibitor:150 nM concanamycin A | Sample source:murine bone marrow derived macrophages | genotype:WT	RAW_FILE_NAME(raw file name)=F2-64-31-
SUBJECT_SAMPLE_FACTORS           	-	WT 4 6h + Conca	time (h):6 | Dead E coli treatment:yes | inhibitor:150 nM concanamycin A | Sample source:murine bone marrow derived macrophages | genotype:WT	RAW_FILE_NAME(raw file name)=F2-64-32-
SUBJECT_SAMPLE_FACTORS           	-	WT 1 18h + Conca	time (h):18 | Dead E coli treatment:yes | inhibitor:150 nM concanamycin A | Sample source:murine bone marrow derived macrophages | genotype:WT	RAW_FILE_NAME(raw file name)=F2-64-33-
SUBJECT_SAMPLE_FACTORS           	-	WT 2 18h + Conca	time (h):18 | Dead E coli treatment:yes | inhibitor:150 nM concanamycin A | Sample source:murine bone marrow derived macrophages | genotype:WT	RAW_FILE_NAME(raw file name)=F2-64-34-
SUBJECT_SAMPLE_FACTORS           	-	WT3 18h + Conca	time (h):18 | Dead E coli treatment:yes | inhibitor:150 nM concanamycin A | Sample source:murine bone marrow derived macrophages | genotype:WT	RAW_FILE_NAME(raw file name)=F2-64-35-
SUBJECT_SAMPLE_FACTORS           	-	WT 4 18h + Conca	time (h):18 | Dead E coli treatment:yes | inhibitor:150 nM concanamycin A | Sample source:murine bone marrow derived macrophages | genotype:WT	RAW_FILE_NAME(raw file name)=F2-64-36-
SUBJECT_SAMPLE_FACTORS           	-	WT 1 6h + Bafilo	time (h):6 | Dead E coli treatment:yes | inhibitor:50 nM bafilomycin A1 | Sample source:murine bone marrow derived macrophages | genotype:WT	RAW_FILE_NAME(raw file name)=F2-64-37-
SUBJECT_SAMPLE_FACTORS           	-	WT 2 6h + Bafilo	time (h):6 | Dead E coli treatment:yes | inhibitor:50 nM bafilomycin A1 | Sample source:murine bone marrow derived macrophages | genotype:WT	RAW_FILE_NAME(raw file name)=F2-64-38-
SUBJECT_SAMPLE_FACTORS           	-	WT 3 6h + Bafilo	time (h):6 | Dead E coli treatment:yes | inhibitor:50 nM bafilomycin A1 | Sample source:murine bone marrow derived macrophages | genotype:WT	RAW_FILE_NAME(raw file name)=F2-64-39-
SUBJECT_SAMPLE_FACTORS           	-	WT 4 6h + Bafilo	time (h):6 | Dead E coli treatment:yes | inhibitor:50 nM bafilomycin A1 | Sample source:murine bone marrow derived macrophages | genotype:WT	RAW_FILE_NAME(raw file name)=F2-64-40-
SUBJECT_SAMPLE_FACTORS           	-	WT 1 18h + Bafilo	time (h):18 | Dead E coli treatment:yes | inhibitor:50 nM bafilomycin A1 | Sample source:murine bone marrow derived macrophages | genotype:WT	RAW_FILE_NAME(raw file name)=F2-64-41-
SUBJECT_SAMPLE_FACTORS           	-	WT 2 18h + Bafilo	time (h):18 | Dead E coli treatment:yes | inhibitor:50 nM bafilomycin A1 | Sample source:murine bone marrow derived macrophages | genotype:WT	RAW_FILE_NAME(raw file name)=F2-64-42-
SUBJECT_SAMPLE_FACTORS           	-	WT3 18h + Bafilo	time (h):18 | Dead E coli treatment:yes | inhibitor:50 nM bafilomycin A1 | Sample source:murine bone marrow derived macrophages | genotype:WT	RAW_FILE_NAME(raw file name)=F2-64-43-
SUBJECT_SAMPLE_FACTORS           	-	WT 4 18h + Bafilo	time (h):18 | Dead E coli treatment:yes | inhibitor:50 nM bafilomycin A1 | Sample source:murine bone marrow derived macrophages | genotype:WT	RAW_FILE_NAME(raw file name)=F2-64-44-
#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             	Preparation of macrophages: Murine bone marrow-derived macrophages (BMDMs) were
TR:TREATMENT_SUMMARY             	generated as described previously, in RPMI 1640 supplemented with M-CSF (30%
TR:TREATMENT_SUMMARY             	mycoplasma-free L929 cell supernatant, NCBI Biosample accession # SAMN00155972)
TR:TREATMENT_SUMMARY             	and 10% FBS, plus 100 µg/ml penicillin, 100 µg/ml streptomycin, 10 mM HEPES, 1
TR:TREATMENT_SUMMARY             	nM sodium pyruvate and 50 µM 2-mercaptoethanol (all from Gibco). BMDMs were
TR:TREATMENT_SUMMARY             	used on day 5 to 7 after seeding. Period of differentiation of the cells,
TR:TREATMENT_SUMMARY             	concentration of cells when replating and time-lapse between replating and
TR:TREATMENT_SUMMARY             	stimulation with bacteria were important parameters to maintain metabolic
TR:TREATMENT_SUMMARY             	backgrounds homogenous between experiments. Preparation of viable and killed
TR:TREATMENT_SUMMARY             	U-[13C]Bacteria: ThyA- E. coli were grown overnight with shaking in LB
TR:TREATMENT_SUMMARY             	supplemented with thymidine (500 µg/ml) and trimethoprim (50 µg/ml), diluted
TR:TREATMENT_SUMMARY             	1/40, and grown until log-phase [optical density at 600 nm (OD600) of 0.8-1.2].
TR:TREATMENT_SUMMARY             	Bacteria were washed with phosphate buffer saline (PBS) to remove LB salts
TR:TREATMENT_SUMMARY             	before addition to cells. For labeling of bacteria, 10 µl of an overnight
TR:TREATMENT_SUMMARY             	cultured of thyA- E. coli was added to 20 ml of a filtered M9 minimal medium
TR:TREATMENT_SUMMARY             	salts (Life Technologies) supplemented with 1 mM thiamine, 1 mM MgSO4, 0.1 M
TR:TREATMENT_SUMMARY             	CaCl2, 500 µg/ml thymidine, 50 µg/ml trimethoprim, and 0.5% U-[13C6] glucose
TR:TREATMENT_SUMMARY             	(Campro Scientific). Bacteria were grown for 72h, washed with PBS and subjected
TR:TREATMENT_SUMMARY             	to heat-killing by re-suspension in PBS and subsequently incubation at 60˚C for
TR:TREATMENT_SUMMARY             	60-90 min. For antibiotic killing, bacteria were incubated for 6h to 12h with
TR:TREATMENT_SUMMARY             	Streptomycin or Gentamycin (50 µg/ml). Bacteria were kept at 4˚C until use.
TR:TREATMENT_SUMMARY             	Efficient killing was confirmed by overnight plating on LB-agar plates.
TR:TREATMENT_SUMMARY             	Treatment of macrophages: 2E6 BMDMs were plated 12-16h prior stimulation in
TR:TREATMENT_SUMMARY             	non-tissue cultured treated 6-well plate (BD Falcons). Cells were then
TR:TREATMENT_SUMMARY             	stimulated with killed labelled-E. coli at MOI 50, centrifuged at 2000 rpm for
TR:TREATMENT_SUMMARY             	5min. BMDMs were incubated for 5 min and washed with PBS to remove non-ingested
TR:TREATMENT_SUMMARY             	bacteria and further incubated for 6h or 18h. To inhibit lysosomal degradation,
TR:TREATMENT_SUMMARY             	cells were treated with 50 nM Bafilomycin A1. To inhibit v-ATPase, cells were
TR:TREATMENT_SUMMARY             	treated with 150 nM concanamycin A. All the above inhibitors were added to the
TR:TREATMENT_SUMMARY             	cultured medium at least 2h before stimulation of the BMDMs.
#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        	Negative 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                     	95% water/5% acetonitrile; 1 mM ammonium acetate
CH:SOLVENT_B                     	95% acetonitrile/5% water; 1 mM ammonium acetate
CH:FLOW_GRADIENT                 	0-0.5 min 0% B, 0.5-1.1 min 0-100% B, 1.1-2.75 min hold at 100% B, 2.75-3 min
CH:FLOW_GRADIENT                 	100-0% B, 3-5 min hold at 0% B
CH:FLOW_RATE                     	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                      	NEGATIVE
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	CT WT 1	CT WT 2	CT WT 3	CT WT 4	WT 1 6h	WT 2 6h	WT 3 6h	WT 4 6h	WT 1 18h	WT 2 18h	WT3 18h	WT 4 18h	CT RagA GTP 1	CT RagA GTP 2	CT RagA GTP 3	CT RagA GTP 4	RagA GTP 1 6h	RagA GTP 2 6h	RagA GTP 3 6h	RagA GTP 4 6h	RagA GTP 1 18h	RagA GTP 2 18h	RagA GTP 3 18h	RagA GTP 4 18h	CT WT 1 + Conca	CT WT 2 + Conca	CT WT 3 + Conca	CT WT 4 + Conca	WT 1 6h + Conca	WT 2 6h + Conca	WT 3 6h + Conca	WT 4 6h + Conca	WT 1 18h + Conca	WT 2 18h + Conca	WT3 18h + Conca	WT 4 18h + Conca	WT 1 6h + Bafilo	WT 2 6h + Bafilo	WT 3 6h + Bafilo	WT 4 6h + Bafilo	WT 1 18h + Bafilo	WT 2 18h + Bafilo	WT3 18h + Bafilo	WT 4 18h + Bafilo
Factors	time (h):0 | Dead E coli treatment:no | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:WT	time (h):0 | Dead E coli treatment:no | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:WT	time (h):0 | Dead E coli treatment:no | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:WT	time (h):0 | Dead E coli treatment:no | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:WT	time (h):6 | Dead E coli treatment:yes | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:WT	time (h):6 | Dead E coli treatment:yes | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:WT	time (h):6 | Dead E coli treatment:yes | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:WT	time (h):6 | Dead E coli treatment:yes | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:WT	time (h):18 | Dead E coli treatment:yes | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:WT	time (h):18 | Dead E coli treatment:yes | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:WT	time (h):18 | Dead E coli treatment:yes | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:WT	time (h):18 | Dead E coli treatment:yes | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:WT	time (h):0 | Dead E coli treatment:no | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:RagA GTP mutant	time (h):0 | Dead E coli treatment:no | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:RagA GTP mutant	time (h):0 | Dead E coli treatment:no | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:RagA GTP mutant	time (h):0 | Dead E coli treatment:no | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:RagA GTP mutant	time (h):6 | Dead E coli treatment:yes | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:RagA GTP mutant	time (h):6 | Dead E coli treatment:yes | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:RagA GTP mutant	time (h):6 | Dead E coli treatment:yes | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:RagA GTP mutant	time (h):6 | Dead E coli treatment:yes | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:RagA GTP mutant	time (h):18 | Dead E coli treatment:yes | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:RagA GTP mutant	time (h):18 | Dead E coli treatment:yes | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:RagA GTP mutant	time (h):18 | Dead E coli treatment:yes | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:RagA GTP mutant	time (h):18 | Dead E coli treatment:yes | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:RagA GTP mutant	time (h):0 | Dead E coli treatment:no | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:WT	time (h):0 | Dead E coli treatment:no | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:WT	time (h):0 | Dead E coli treatment:no | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:WT	time (h):0 | Dead E coli treatment:no | inhibitor:none | Sample source:murine bone marrow derived macrophages | genotype:WT	time (h):6 | Dead E coli treatment:yes | inhibitor:150 nM concanamycin A | Sample source:murine bone marrow derived macrophages | genotype:WT	time (h):6 | Dead E coli treatment:yes | inhibitor:150 nM concanamycin A | Sample source:murine bone marrow derived macrophages | genotype:WT	time (h):6 | Dead E coli treatment:yes | inhibitor:150 nM concanamycin A | Sample source:murine bone marrow derived macrophages | genotype:WT	time (h):6 | Dead E coli treatment:yes | inhibitor:150 nM concanamycin A | Sample source:murine bone marrow derived macrophages | genotype:WT	time (h):18 | Dead E coli treatment:yes | inhibitor:150 nM concanamycin A | Sample source:murine bone marrow derived macrophages | genotype:WT	time (h):18 | Dead E coli treatment:yes | inhibitor:150 nM concanamycin A | Sample source:murine bone marrow derived macrophages | genotype:WT	time (h):18 | Dead E coli treatment:yes | inhibitor:150 nM concanamycin A | Sample source:murine bone marrow derived macrophages | genotype:WT	time (h):18 | Dead E coli treatment:yes | inhibitor:150 nM concanamycin A | Sample source:murine bone marrow derived macrophages | genotype:WT	time (h):6 | Dead E coli treatment:yes | inhibitor:50 nM bafilomycin A1 | Sample source:murine bone marrow derived macrophages | genotype:WT	time (h):6 | Dead E coli treatment:yes | inhibitor:50 nM bafilomycin A1 | Sample source:murine bone marrow derived macrophages | genotype:WT	time (h):6 | Dead E coli treatment:yes | inhibitor:50 nM bafilomycin A1 | Sample source:murine bone marrow derived macrophages | genotype:WT	time (h):6 | Dead E coli treatment:yes | inhibitor:50 nM bafilomycin A1 | Sample source:murine bone marrow derived macrophages | genotype:WT	time (h):18 | Dead E coli treatment:yes | inhibitor:50 nM bafilomycin A1 | Sample source:murine bone marrow derived macrophages | genotype:WT	time (h):18 | Dead E coli treatment:yes | inhibitor:50 nM bafilomycin A1 | Sample source:murine bone marrow derived macrophages | genotype:WT	time (h):18 | Dead E coli treatment:yes | inhibitor:50 nM bafilomycin A1 | Sample source:murine bone marrow derived macrophages | genotype:WT	time (h):18 | Dead E coli treatment:yes | inhibitor:50 nM bafilomycin A1 | Sample source:murine bone marrow derived macrophages | genotype:WT
ADP	173027	89930	257124	108722	119119	157152	128833	214691	102788	125024	101537	99024	213431	994765	155618	170544	312638	131916	157408	242364	131047	480459	124605	113091	152135	151363	401223	221487	91131	76785	83308	138298	47148	22425	46600	41578	64152	60526	139919	46352	25183	76366	40045	19419
Thymine	126505	116886	125864	106523	116484	119474	106886	109531	121249	117121	112476	121391	108269	124723	113875	120144	104062	125704	132549	142167	109965	118808	110326	116051	111328	109749	115467	112056	112735	117221	121514	119538	126980	131265	107720	118224	94711	117543	128856	89685	84260	102174	122202	96764
UMP	475460	1115567	525010	708156	647195	666958	857071	740519	1790516	3247893	1371884	2448934	1731609	1064913	1363374	586881	1630422	1424777	1079932	900163	384829	1433526	2157514	1528171	478821	695630	497655	341262	743882	563192	1046805	668184	1008232	504507	1552807	1673590	572632	466641	206364	485976	48746	41232	80833	73004
Uracil	131645	135920	128124	135990	131324	131034	105801	112318	913494	579173	380609	367574	129865	154565	146726	116595	144508	143682	132822	150134	170387	135225	253453	142583	150297	190679	157712	159924	113215	148813	192348	148058	549499	169738	333703	406101	139343	128189	143721	114583	103841	105836	128259	113653
IMP	124422	415971	281210	218412	550023	555418	1431365	460004	2806381	3794222	635863	1138606	420180	298325	279617	254818	516074	603411	248138	305595	1102659	2395590	992108	413116	968043	1047659	1621675	822024	925726	925194	1600971	1040674	2173272	563747	1405641	2704563	267559	245015	176311	162643	71840	127385	132396	109958
Xanthine	332022	427540	150192	277667	258316	153624	335803	205123	998517	778754	293609	348968	375938	114960	525535	168506	322960	436918	409384	221098	520456	353466	933158	529286	439331	338802	162695	389792	619312	458726	607943	517290	342118	283716	916269	717330	195201	156567	90922	191647	38378	26173	46371	47208
(S)(+)-Allantoin	8585	30863	13479	34923	31459	35287	27836	15437	74929	50232	32184	64173	67103	39955	27309	28956	32627	38092	61399	32126	79926	86564	105257	46004	20821	36909	33624	41060	23514	25635	26448	24969	31575	19275	47891	61641	31141	24320	10961	14993	8631	0	9303	17032
4-Pyridoxate	29412	15812	24886	15226	17668	29100	36413	30746	77325	36498	28343	34154	38700	49536	26762	8241	33180	34346	24205	15943	41827	82296	39984	26978	18952	19927	32482	29631	24560	30407	14179	20961	91023	20722	50622	59841	6939	4422	4239	10853	2775	5195	2934	0
UDP-glucose	43893	66982	31862	46703	41780	205489	73928	56419	120858	155625	83795	161237	80874	213617	61520	50426	72058	148045	68904	51023	14967	110765	85110	58692	29858	31710	135531	33992	34632	33751	49863	54329	227312	36961	76089	119253	26314	16336	25940	15233	3257	24652	6981	2552
ADP-D-ribose	26236	76994	19214	54424	13480	106000	27613	37693	148320	203049	83080	157983	49356	175109	51036	58477	75877	176953	76720	25429	41950	290156	187899	63768	25778	40461	81063	41128	23872	20842	15600	24579	88811	15880	33569	50202	68102	83484	1035	31994	16899	0	16080	32552
Phosphate	83096130	102633300	80212120	73986260	85810630	113710500	82116050	77971130	112702300	102376500	83941280	98696090	68202020	107586500	67836380	63518530	100129900	91813340	110891100	116762600	121566700	134921300	125321800	76294230	73324010	76057480	120667300	62287340	54837540	88338220	90246980	109958400	102948300	94682340	76495290	92362180	63762080	52190350	94864320	40788730	39057100	81836230	82370980	32152440
Diphosphate	7425742	8923775	8392875	6291590	6845140	9897087	6986560	9767499	9995218	8785342	7483702	8781736	6223358	9685115	5330504	5884276	10609800	9609435	11339800	13292970	14125110	13861660	11469450	7923074	7070094	7375506	11617840	6916526	7197986	7657048	8072334	11139390	8431041	7919354	8885483	8107310	5514268	5404854	9576415	5399044	5587126	6032006	7172984	2805620
D-Glucose	98166	146003	94083	96683	153688	204748	414831	91509	361421	268664	173280	213891	195014	220264	155598	122562	108614	179017	219598	83485	214496	355662	420218	201080	99302	123170	130300	111089	88559	113625	112088	183789	285812	187732	266384	293772	138743	128345	59718	174834	119717	89588	138448	114298
D-Glyceraldehyde 3-phosphate/Glycerone phosphate	149837	126873	102824	105425	163186	124507	144896	117820	1717889	1278074	722243	1000506	129416	65871	129944	177698	116385	134613	127991	123049	480027	915363	920539	696911	121455	140392	172991	143235	148631	159691	107050	204450	597786	667151	191627	186614	161700	132468	96456	107043	119856	65486	176653	141004
2/3-Phospho-D-glycerate	46697	39226	79844	73309	48393	49886	24878	104905	119332	45003	59434	51345	22449	230121	31761	32276	130055	56844	85203	40885	65780	250704	84406	60689	86587	46703	207563	107480	110520	64546	54184	99686	668744	115173	342656	200893	21146	21679	26898	34927	14849	54566	6338	10620
Pyruvate	255160	537071	308200	319816	316780	428172	475457	280793	411613	440670	329011	562231	646700	553394	503361	353614	245078	324321	275948	231254	262166	497304	334062	308363	325134	476038	625944	335025	583380	1054900	1416138	1206940	1272140	373077	841563	1117811	565518	543884	452244	346129	230910	450063	367969	323300
Lactate	3655764	5716780	9059275	6105200	7678022	11420490	19695080	11128980	18043680	12553280	8794324	16640340	8707529	6085296	3748963	2389690	10069620	6771470	4648012	4470064	9097008	12653920	14921160	8940355	11793190	12875240	20059260	12880110	9901261	10550660	23859420	20278040	30265860	10204580	40016800	45674360	5144964	3860460	2435799	3657735	2331063	2715668	2653222	3166649
Maltose	2168	1240	2951	2303	7010	16115	7143	4093	20730	1819	13550	7855	3619	3628	1340	12276	8117	4817	4149	4240	1689	9300	17592	15823	7825	7715	3056	11982	2284	9409	15406	10059	716305	13958	3320	14701	23208	7345	4102	3899	1056	7091	2599	13114
Mannitol	74427	121496	88712	63315	179174	16402770	8236192	357374	459572	354911	263608	296218	119104	193096	98131	11722700	779927	194708	203872	106936	319690	590566	562517	184127	90887	89864	148512	69784	49657	121661	148305	195001	258686	140218	188133	287695	74231	61164	47229	1806310	39936	346696	95192	88675
D-Ribose	12357	10277	14420	6382	19027	12817	113799	15494	35097	24054	28184	16168	24312	13772	18924	13027	17914	35302	13182	8658	36256	26567	36928	26025	30030	16260	18463	25362	21478	9987	26252	16469	36963	8597	18033	23419	17133	17876	12531	18214	21155	14273	11747	17358
D-Arabitol	12367	19479	13593	3896	870162	298328	643655	406709	93458	74482	84672	70082	26872	12321	26715	9469	199780	246379	181110	304555	57370	81229	76419	84359	18929	12825	26744	16463	1247341	1461161	1367966	904169	1166681	367728	974894	1124933	1076183	1413968	1038395	1059248	188112	172366	134220	242078
Citrate	240009	327807	512491	262211	131347	230852	239148	321665	3425978	2798234	1376011	1395084	555131	9036921	353971	261902	571004	453031	244268	382415	5666222	52742160	5711796	1531971	406044	510244	5990006	557177	205712	168356	301850	284856	5209008	212693	909870	501742	155433	159090	194807	187843	63045	810647	47016	44027
2-Oxoglutarate	650719	1383681	334082	771566	142473	545218	513689	190927	180546	209852	144265	323702	1039754	1357694	1304369	1245939	256510	540190	529108	485605	185252	260514	277313	79149	151860	228531	722242	172753	184675	638036	512752	568938	136819	51157	56124	189328	116808	71798	96614	108299	35709	141056	63533	34642
2-Oxoglutaramate	23711	17469	20615	26732	25661	18348	26881	33918	29233	34302	37535	39461	33305	11701	14309	20060	23753	27397	29107	30753	27968	23380	46907	27314	30469	26296	50579	27550	37056	41449	35081	45898	59265	27981	57256	68037	40673	35661	16653	24894	11132	23454	7824	13806
Succinate	1008218	1305231	502575	607266	602804	1023328	363131	303899	2343706	2710687	1037011	1523632	2200038	2333681	646505	550636	1203004	1700716	1848086	994507	3169497	3918908	2583199	1132930	912222	970289	659097	407309	551278	914173	628575	675038	1229153	603693	860957	1231380	436660	373932	406495	243594	89803	169570	206834	126979
Fumarate	143118	314501	90484	187714	334837	2494230	1983223	196906	149125	231333	313438	197914	251029	298451	143215	1426695	231716	448215	322656	120678	132948	166610	172926	120084	170900	236327	701390	193277	307989	543805	466123	460762	497836	222584	214896	520540	201976	160654	189776	202281	131599	250845	181213	140945
Malate	3718764	6550568	1214061	4294728	9156468	13704270	11372800	2627281	2527098	4131629	6399122	4013233	4760630	6306924	2288356	2729053	2549568	7764682	6128526	2871421	2103120	3294309	3382144	1453212	3003474	5613792	14419030	2469454	3787834	10811700	9872483	9091359	10377360	4623236	2364006	11410110	3771405	3196311	2397648	2532111	1436955	5063686	4034771	2321566
2-Hydroxyglutarate/Citramalate	435826	564026	381043	796475	359286	448366	610967	314549	627053	353040	469012	1082746	1184292	1002906	1325160	889578	554075	713377	669758	677812	460516	739740	534190	214632	374715	367811	1076003	410781	143468	336053	556130	623231	604059	143553	239945	904520	243573	193799	127816	79697	45122	171393	188693	101237
D-Glucono-1-5-lactone 6-phosphate	9450	11024	5139	4900	6907	12713	7457	5320	258412	117847	47770	34599	6904	16464	2390	3769	9628	6091	5809	4194	15932	29834	57894	29871	7484	3268	29525	4277	4328	3770	5140	9000	40966	29304	19967	26235	794	3425	4109	4366	3819	21071	3773	1901
D-Erythrose 4-phosphate	1470	5269	0	2403	3487	1308	0	0	109007	55583	26836	17579	0	0	8403	3501	0	0	0	3655	3922	10310	19114	12773	5560	8070	0	9492	1606	8860	6403	16537	22130	10411	14042	8469	4706	0	0	7417	1721	0	0	0
Sedoheptulose 1-phosphate	51768	84286	134929	112016	79087	76658	185278	109840	1115537	1042298	559816	622401	99212	39511	54497	34206	113654	60286	49111	44085	328427	458701	708322	506185	128162	100420	88836	97445	118253	84236	189643	116671	535234	433736	1034040	874688	56987	34241	39073	29551	73907	54817	101515	105517
alpha-D-Ribose 1-phosphate	1279453	1240904	926620	1279911	523158	607777	432820	565432	4563462	3253239	2084679	2335363	1014918	515822	824573	371922	1218385	1522557	1296055	571553	2217405	2425530	4141668	2536986	1001186	709479	321344	618095	533207	525161	585813	523547	1387268	1088141	1420742	1233138	436527	272724	138225	314376	74731	54806	120279	122662
Ascorbate	113395	488761	140781	180837	56491	451683	173280	101263	68580	78435	81548	389788	118613	486038	433054	267066	92434	239082	66312	81164	18740	76478	43639	31988	67241	78083	854089	133021	70863	106653	80992	47175	44216	7403	26943	75561	4482	6073	6129	3577	3300	9770	3068	2506
Dehydroascorbate	30754	31271	43496	24074	0	16423	0	149916	120322	116692	54956	60731	40662	221074	28103	0	90186	48537	55392	26380	167744	962535	232356	59398	32977	39140	140909	80308	146133	48682	0	0	100461	51600	59131	25607	0	0	105333	73552	100291	9459	0	0
gamma-L-Glutamyl-L-cysteine	75041	77260	57999	59044	85676	79148	104329	62870	80786	62035	69419	86281	141672	95214	166485	62322	92234	135123	128245	47155	166925	96303	185640	83834	55143	69973	83043	93600	51642	49758	96016	96873	80666	13465	61034	73677	28370	23347	31507	19018	6347	6954	11529	16301
5-L-Glutamyl-taurine	12911	7833	6685	4613	9494	6119	6894	4856	9411	4821	8656	10191	19027	0	5601	5244	15388	8191	0	0	10804	9067	2588	4557	69353	63329	32558	61604	97346	93646	109140	98651	247774	112742	272800	360369	100608	104292	88873	83530	59079	76418	89969	85153
3-Phosphonooxypyruvate	179389	137142	205791	158245	176513	162807	189745	167642	188801	249225	192014	190908	362781	57978	223182	233186	205028	251288	197666	165693	278716	188948	225418	249880	274233	288692	178973	276352	267517	168171	177113	183913	233888	123723	329946	293065	185025	174946	147570	179153	119390	62348	118024	107687
N-Acetylneuraminate	3193026	3603140	3862868	2674601	3382590	3095758	3704185	2989449	5009575	4446500	2882637	2329937	2073909	1654118	4065824	1386817	1609242	2125612	1467411	1265268	2294866	1408119	2324978	1512418	702545	690488	718594	762611	667518	554542	1022896	591024	280326	125982	593112	287599	636845	710740	483710	441275	41340	34178	41465	50704
N-Glycoloyl-neuraminate	75394	89749	179212	121187	148205	112610	174068	160952	181267	149254	141642	133930	107710	57371	236520	96996	119095	107948	82102	118015	75601	65969	98316	83784	14716	43830	18359	36068	15490	19203	52103	32810	5439	0	26795	13318	78185	83480	57744	64166	12132	0	9969	10430
alpha-D-Glucosamine 1-phosphate	48964	57743	48795	68326	47559	55997	54744	73635	101205	84590	57538	78429	155000	67605	122984	62472	99154	112572	140279	62360	85439	48482	93257	110381	158703	154588	81076	150032	96868	73724	75684	90722	68721	44495	147662	158279	88619	78448	61493	61039	25130	13858	28873	22942
L-Arabinose	12357	10277	14420	6382	19027	12817	113799	15494	35097	24054	28184	16168	24312	13772	18924	13027	17914	35302	13182	8658	36256	26567	36928	26025	30030	16260	18463	25362	21478	9987	26252	16469	36963	8597	18033	23419	17133	17876	12531	18214	21155	14273	11747	17358
1-4-beta-D-Xylan	352954	707688	637607	869151	344152	538231	594222	724499	181610	247364	309174	591859	1025199	1063528	1249272	481689	850256	699820	1379436	699202	174592	284106	439685	128782	343938	525750	1141192	697485	195023	299560	539453	721918	200911	91162	197258	481273	330505	305724	366693	149159	116579	314279	391262	211505
UDP-N-acetyl-D-glucosamine	77705	147778	51386	77900	44766	200941	66753	63145	262490	279512	77484	196875	149497	285374	121105	94466	89667	210712	131685	70980	43189	220277	223364	77933	62645	67850	177855	63039	46687	58398	67470	96733	210496	37833	88776	165003	42975	34197	31789	25034	4567	19132	12952	6866
CMP-N-acetylneuraminate	48388	94310	37415	58268	35010	103193	41494	30646	107413	90906	39266	54493	56608	126008	44049	25710	26597	83209	36465	21887	44701	101236	43984	19874	19799	22928	81990	19450	6003	14196	20397	15818	34566	11466	19948	16121	4713	7978	8382	4586	0	4125	876	0
beta-L-Arabinose 1-phosphate	1279453	1240904	926620	1279911	523158	607777	432820	565432	4563462	3253239	2084679	2335363	1014918	515822	824573	371922	1218385	1522557	1296055	571553	2217405	2425530	4141668	2536986	1001186	709479	321344	618095	533207	525161	585813	523547	1387268	1088141	1420742	1233138	436527	272724	138225	314376	74731	54806	120279	122662
trans-4-Hydroxy-L-proline	152431	203217	168718	189840	176095	236491	235232	169133	397121	394946	235099	358497	402246	254967	290890	169911	251365	393397	287943	139014	409715	450934	453416	232026	223193	251214	190909	210755	195302	227985	276249	231866	411592	174828	345291	536800	194242	204823	104037	133465	62390	62219	98635	76645
Pantothenol	774	703	2795	460	7690	10273	9095	4300	6813	10635	7914	7302	8092	4736	3689	7760	7088	8979	19646	4797	10713	21272	19775	10020	10485	18847	5824	12183	19941	47653	44915	35707	59665	35947	49168	115152	13478	9143	10455	11326	2929	415	2287	1534
Taurine	19409090	20956430	16667620	24124520	12600260	13343870	19881710	12311380	18278090	23914100	25602370	23727480	41264320	23609790	29688840	28060450	13106440	29605410	15878630	9323505	24783250	22388190	19551160	17397100	29461950	34994790	18747530	30798000	21327700	19527410	21956850	15995790	23028670	13850840	30767900	38469600	23214600	26391420	9184785	17430680	11702080	8423839	13898990	15206120
3-Sulfino-L-alanine	7165	6544	18096	20349	6315	12892	14046	40591	31006	26682	20509	11973	10290	30075	13267	16139	61447	17739	19145	6437	12515	7300	26445	28123	25538	11378	5151	31081	31982	10905	22002	7579	38668	21191	28209	58179	18088	19598	16809	22202	5133	5707	18575	15083
L-Selenomethionine	24863	17827	24285	17038	17140	6053	11507	22974	7649	8505	5709	4532	20213	71937	3425	6475	16212	25215	8962	17956	5117	32607	9043	22832	6312	13937	30570	16394	7808	6092	2775	4565	26031	14466	9440	4952	4791	12175	13541	12232	13583	81870	15448	5073
L-Cysteate	107046	74784	90057	91327	101077	79692	78290	98222	71268	72390	91465	62862	94312	20508	74101	82466	73392	93902	75137	120529	92223	61944	71506	106456	105314	90754	66888	119943	93050	84392	86757	81969	63497	75450	94300	68182	88548	94316	101531	81816	106976	53298	99258	72439
Glycerol 3-phosphate	118865	99055	172420	182664	314011	245671	306276	399396	544693	402976	305612	422788	194981	112168	184523	157439	348424	290645	264000	232983	273417	313391	546570	394871	728387	605576	470411	714936	566941	487196	582098	507346	756019	370661	1106622	1265157	560171	626504	460585	437292	222939	242555	336842	306006
Ethanolamine phosphate	6062308	8434645	5240702	5727224	4707652	7191566	5548242	4677720	8966823	10336780	6883322	9243703	9123901	9171557	8523823	5077046	5975260	8315230	6781910	4384505	7594864	7026148	10603530	6798346	6051072	7079620	5078758	5784058	5628804	4142236	4970014	4165091	8592151	3560409	8939088	10539300	4129843	4793654	3496465	3748119	1744515	1097570	2054707	1564218
N-Methylethanolamine phosphate	29600	41635	38995	31352	34640	10880	42122	34142	94179	61565	104620	129254	123236	68139	67801	95489	42416	34190	29787	46838	130868	89674	59600	101470	43371	20045	26534	51250	37975	8157	36970	30285	124483	22416	142311	217237	34318	25521	35631	38084	6417	3870	11620	17137
Sphingosine 1-phosphate	3616	4851	5901	3662	7393	4228	2931	11883	19298	15782	5422	9225	10652	12012	8269	6315	8184	9776	8084	3964	14604	16573	9366	14067	8002	3447	6892	10267	8395	6779	6640	5837	16350	10777	19780	17621	4314	4916	3053	3306	2124	990	2578	0
sn-glycero-3-Phosphoethanolamine	456903	321341	281543	382430	376048	192499	181022	242667	1848682	2190685	1412687	1986774	1278577	748431	753583	407697	348320	554957	514246	251204	1728534	1715054	3136239	2204919	373312	370518	115821	344690	273595	195562	173079	197513	1714621	835350	2391528	2646619	169381	195585	54291	179454	129545	97611	173512	154214
Hexanoic acid (caproate)	179181	203018	213428	198187	203501	170474	195618	231864	239302	204111	221194	176436	176767	75943	256726	210390	116604	179536	211727	231997	210619	83325	239486	252411	205633	212358	116082	228344	246928	199408	259921	259660	140554	220617	231919	157125	214139	244806	244704	205571	235068	83330	243543	180620
Heptanoic acid	347516	495118	351488	441560	421553	416212	489918	292690	396428	448151	429422	475188	387605	545046	423916	368919	286631	378833	442956	374645	438042	487671	437280	335340	323422	407298	473940	373086	385769	435747	431770	402832	427383	451804	405714	481558	398202	425524	332620	311835	393277	557203	397014	462974
Octanoic acid (caprylic acid)	679924	1037807	791625	769815	1019483	848580	1089621	743238	1019695	817987	689656	1016329	900076	923379	1158238	858199	651884	841025	878929	845492	1051130	893238	827560	951744	769566	867489	983738	890177	906892	906499	935404	961941	903794	998191	920329	937812	849219	839770	744012	718831	782036	832680	1017239	1033367
Nonanoic acid (pelargonic acid)	2083911	2476543	1529978	2182551	2260097	2316979	2442271	1644032	2686745	2507544	2417613	2198018	1833829	2563912	2141502	2080583	1649800	2534674	2419524	1792944	2489216	2623914	2658600	1740382	2178196	2145639	2431706	1778004	1767194	2126763	2596730	2100587	2452011	2478824	2097847	2335153	2615849	2067161	2136698	1558041	2007734	1854586	2134703	2430312
Dodecanoic acid (lauric acid)	878902	1001191	960117	1050395	947864	1033217	1100472	811439	2939933	1156128	972030	1019102	1205008	1086745	1037705	1095585	765808	1216017	1062548	974697	1161455	1378335	1589023	1195347	1171034	1112237	1112666	827635	884215	837072	1057571	1125065	1273634	1104366	1254360	1144977	1074233	1143230	1031306	751492	1011231	932439	1000988	1185900
Tetradecanoic acid (myristic acid)	2300537	2261339	2230583	2371820	2642014	2536337	2669506	2330106	3299304	2403907	2586427	2885544	2803326	2855968	2368270	2554220	1984662	2974840	2619175	2596234	3014904	3738070	2760372	2927284	3126267	2725280	2582253	2649085	2593329	2924489	2742941	2522908	3667826	2842577	3142741	3146385	2356661	2468765	2174682	2098462	2109763	2273480	2377290	2604840
Hexadecanoic acid (palmitic acid)	26296350	28924030	21912090	26574090	24014550	24470260	25914920	23415400	32586690	26953260	27625570	25009740	30609720	24166930	29050470	28541070	22732680	25096220	27535190	26352310	24405700	30769140	25627980	24762410	27391070	26609290	24600680	26749990	23743260	19403440	29783540	27939930	31141930	24336380	29309490	28762470	26952720	26778060	22404670	24489920	21457850	23439450	25486330	24665750
Octadecanoic acid (stearic acid)	7443360	9038984	7447732	9163264	7479330	8745692	9415135	7145946	11386750	7094936	7881090	7872122	9860731	7654190	10218040	7612634	8097326	8656839	9944847	8143848	7387152	9497673	7610514	6113046	6767680	6677840	7802794	6954558	7841036	6916060	7868106	7149806	8120898	7110034	8118772	15172390	8728099	10070710	6905346	7628912	7666296	7350650	8043712	5572526
Tetradecenoic acid (myristoleic acid)	67186	87436	56930	70691	68863	80068	74962	63101	179831	119559	61393	108987	98913	81060	106168	89150	74101	84595	77282	80717	119183	187085	199711	81605	102600	97497	71584	84187	77234	73757	88402	82207	141176	84800	143918	117941	74567	59772	54614	43318	57030	66753	47141	63852
Hexadecenoic acid (Palmitoleic acid)	598288	430130	333310	456590	614106	611557	529114	635492	2686097	1636494	739119	918649	830927	766386	727988	383318	604286	1033048	1171765	537812	2737638	1873842	2116606	1052896	756860	689969	568243	595078	678581	696370	899093	731495	2144579	1139393	1945923	1627059	614962	487803	410268	424118	384855	513624	391658	473362
Octadecenoic acid (Oleic acid)	2652702	2990376	2061570	2761699	2910947	2310461	1990825	3001446	12084560	7614146	4236708	4339448	4813570	4737380	4732740	2182432	3237831	4557262	6901998	2161324	8589024	10163670	9984261	5067589	3155486	2781815	2481411	3178303	3211786	2226268	3330472	3477088	7653176	4613634	6378960	6138324	2108045	2215259	1836434	1870497	1499592	1326524	1514302	1229312
Linoleic acid ((9Z,12Z)-Octadecadienoic acid)	336353	319744	205828	282815	379340	294902	221474	311366	1383173	786646	491512	414712	500539	503852	511747	214044	317890	459180	604632	215094	1125338	865359	804553	498639	421008	371069	277087	297673	327261	386082	403324	325276	816826	345847	675296	476225	153289	182191	162107	182572	112863	123653	127234	122544
a-Linolenic acid (Octadecatrienoic acid)	11778	10876	6671	8008	16207	16306	7165	16474	91117	50503	20080	32060	21370	11079	13017	4351	24231	18872	22736	13257	82749	103097	63373	22259	13587	13185	13061	15191	11957	14825	18774	13414	34190	12484	38968	20566	10288	8851	4664	4254	4215	6071	5551	2051
Arachidonic acid (Eicosatetraenoic acid)	893274	1387554	1229729	708515	642212	763391	570919	441118	3610849	2254385	1568321	1148197	527403	540805	614928	293656	503240	868308	841468	235002	2847315	2281156	2543095	1395776	667786	788243	459572	333940	583392	774328	722193	262442	531906	470140	613254	391351	270742	222568	182176	282823	133504	168404	198472	165949
Docosahexaenoic acid	905254	955507	832790	750901	647952	570685	578084	569741	1892721	1138066	738966	666481	711405	723706	774285	480722	665732	987123	711367	281047	1625211	1431900	1467779	842936	830986	972238	815072	527000	714917	653384	992029	351039	533895	360507	778720	388541	255155	278683	170784	337265	130175	122257	171509	139604
Eicosapentaenoic acid	169287	301623	274424	163890	192964	197109	156353	104050	463075	255767	154436	175894	89939	138039	225298	85502	93767	171006	121192	42018	415872	365477	344911	124193	195257	303143	235366	117516	236126	209171	324608	97179	104479	137307	100557	74474	82505	94791	58186	87884	50829	44630	60164	44073
Dihomo-gamma-linolenic acid ((8Z-11Z-14Z)-Icosatrienoic acid)	258825	262821	245985	189334	215381	172789	136078	183258	918131	453795	248497	350518	152846	160936	229182	81623	169192	236757	227057	66033	726968	517400	611998	312827	190284	192897	135907	111960	159073	158822	179416	124880	136162	129847	199173	120295	54326	54569	47522	77588	38654	48216	42667	37686
Docosapentaenoic acid ((7Z-10Z-13Z-16Z-19Z)-Docosa-7-10-13-16-19-pentaenoic acid)	1045830	1199867	1092928	652761	642357	631158	536218	441080	1820414	1218972	788354	637725	564556	595130	685901	321275	509393	856785	680528	244885	1697530	1128963	1284528	717901	745725	930985	714295	445413	530126	588686	825286	332438	301726	280898	424762	247131	252945	271429	167365	292818	124969	155822	153566	127939
Citrate 13C1	2009	1260	6944	0	1892	1842	3342	607	0	13223	0	3173	0	0	0	0	9009	1663	1894	3031	0	0	5037	269	0	0	507	0	4481	2655	4041	0	30905	6256	0	9235	0	3163	4838	2434	2240	3526	510	0
Citrate 13C2	0	1190	5248	0	3940	10995	8969	15009	5515	16495	22701	10819	7202	70318	748	177	16936	18003	3303	16909	32230	242555	25513	18574	3107	928	40937	3202	6353	12614	1815	10834	174684	10350	21779	21564	5096	3224	10129	3230	3070	20681	0	177
Citrate 13C3	5725	5324	9428	3625	5120	507	4192	6078	0	2542	6142	0	582	3157	356	3055	1546	461	4409	5422	0	34822	1375	1260	5200	0	630	0	6527	1798	0	2051	113304	2073	5087	14324	0	2473	0	0	5166	2376	2318	4746
Citrate 13C4	3689	407	4955	0	4109	8606	3887	2628	12067	14754	7258	5896	0	3140	7754	4419	4504	0	1783	6564	16955	194561	20092	6291	4075	0	0	0	2440	6318	5588	5820	130718	1945	8443	10302	2317	5750	10821	14515	2859	5090	7679	4162
2-Oxoglutarate 13C5	33096	17575	34272	16087	40719	31121	37246	30576	34132	22180	16728	32366	18300	17495	24233	37098	27562	30188	19209	30805	25543	25888	21822	28924	18342	31134	37827	21955	29009	71788	29675	56979	28019	23977	14997	25572	22836	23979	18196	15653	17028	30291	31640	15457
Itaconate 13C3	3284567	4048452	2922071	3050610	4775965	3652464	4063003	3352663	4343010	2774174	2282238	1713855	6646360	5102162	5233636	5539938	2946751	4522268	4591702	3118659	6775080	4498320	4914206	4110691	6846146	7747286	5638784	6110114	6512954	5940458	6237310	4959866	6173462	2581163	4900724	6253122	6188028	7175782	4877156	4533531	2311378	2259630	3527785	3675258
Itaconate 13C4	125047	171218	138972	143450	331785	242690	258855	169030	209437	150548	121332	147214	251826	213607	228647	213912	158259	244989	256489	197043	287823	227908	240775	179622	285711	316064	214509	274481	284557	272178	337375	258468	294268	122867	223208	293796	281345	372552	237310	215421	106659	88421	152242	164991
Itaconate 13C5	60429	48905	62721	49800	130955	73068	88500	76389	66949	51237	69102	87957	55889	51206	55324	57359	65367	70934	91635	81958	61653	75637	55578	54486	34314	44046	45241	54773	54304	86153	74444	69467	53446	53016	52053	50632	75991	72535	63753	55405	47180	62272	69093	47647
Succinate 13C4	14244	44829	11094	28462	47546	49281	23069	12135	82405	36691	24393	25112	24772	51418	45708	9675	0	27182	18912	24163	62323	83485	69439	4798	21114	49693	50210	4759	7463	67627	37821	13101	84644	48192	29832	16240	42071	22563	26278	0	0	62215	21415	15726
Fumarate 13C4	0	0	315	3163	42982	15227	31789	3941	336	0	4848	0	368	0	0	0	3398	3532	0	3479	0	463	0	3591	0	0	0	3856	18229	45429	23850	20167	62024	13071	8257	45993	17173	15219	13910	18298	1919	8085	4007	3181
Malate 13C4	0	0	0	0	521046	334929	451934	59440	17253	14683	47302	23507	0	0	0	0	11854	116728	65592	61775	1156	4682	9302	13265	0	0	0	0	154069	625766	521378	420664	791232	233141	109830	511596	204689	159963	109879	147182	26309	154026	79658	46278
ADP 13C10	0	0	0	0	23540	13822	14083	22208	5496	2962	8825	11073	0	0	552	0	17177	8885	6753	19953	3665	7364	1976	6541	0	0	0	0	0	2327	1040	1696	0	0	0	0	3493	4654	12862	2076	408	0	0	0
AMP 13C10	0	0	345	0	362559	130502	216303	120570	91946	126632	195207	222991	0	0	0	0	75700	188507	99442	103414	129417	169601	108045	167052	0	0	0	0	23555	90541	52885	37190	8036	3231	14980	17688	117111	142100	41644	95167	2011	0	0	2452
Adenosine 13C5	0	5155	2452	0	6530	106032	77136	0	0	0	5868	9967	0	0	0	5918	3691	8208	3639	0	0	0	0	3823	0	0	0	0	0	5248	0	395	0	4047	7333	3931	3088	0	0	0	0	0	0	0
Adenine 13C5	1961	0	0	0	269794	106360	67336	70167	49927	56320	115332	109886	0	0	0	0	73623	240568	125231	49491	40754	27421	66294	89741	0	0	0	0	24604	59891	44766	34285	34227	18125	39843	42280	84384	43293	19357	36144	8171	0	15581	4936
Fructose bisphosphate 13C6	442534	1377674	879734	676382	551680	1459491	926194	622258	1023414	927555	763140	1207784	315809	1255731	516902	429702	630388	724372	1033345	806794	370341	1177931	903542	272060	327470	388218	1676221	447733	468010	1200125	762759	922722	1272412	1296245	193743	718723	510366	318475	369350	317374	719051	1073314	863443	285898
Phosphoglycerate 13C3	14183	10060	7532	7954	10545	22945	13688	10559	52877	47302	8501	23741	15842	47628	23040	3398	20583	43916	26201	12255	30082	99650	57192	26332	0	3801	27351	2912	3523	6047	3216	6315	31714	0	0	15257	1772	0	2262	0	0	2910	0	0
Sedoheptulose 1-phosphate 13C7	183161	187443	171642	156476	260016	193712	160086	168602	507206	425820	286890	305081	198316	227297	215492	147688	195815	336161	284748	127661	375116	453586	581302	348845	216221	213965	113637	237954	236357	147821	137416	148340	182290	105168	192069	170609	136897	162018	83219	198255	82828	45318	67799	30969
Ribose phosphate 13C5	4219	0	0	0	118672	64684	50497	75083	152064	135686	134423	166338	0	5075	0	4667	81515	118782	92999	61312	76070	112312	136929	142129	0	0	0	0	71921	120264	106170	89283	34350	19264	17020	29981	41586	32891	32946	34191	6847	0	668	6766
Glutathione 13C10	53930	30544	7290	47140	32255	15725	28796	0	295750	242023	175882	189111	112357	76751	45824	33365	0	53207	53641	5287	150556	304732	422227	208101	34602	38563	39560	29116	29255	30592	28599	23455	594482	339518	374637	670611	36490	33676	0	4393	17386	39268	38362	27488
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	KEGG ID	m/z	RT
ADP	C00008	426.0220	0.71
Thymine	C00178	125.0342	0.59
UMP	C00105	323.0285	0.59
Uracil	C00106	111.0186	0.60
IMP	C00130	347.0396	0.60
Xanthine	C00385	151.0250	0.64
(S)(+)-Allantoin	C02350	157.0357	0.65
4-Pyridoxate	C00847	182.0428	0.64
UDP-glucose	C00029	565.0475	0.55
ADP-D-ribose	C01882	558.0637	0.60
Phosphate	C00009	96.9681	0.59
Diphosphate	C00013	176.9349	0.59
D-Glucose	C00031	179.0554	0.63
D-Glyceraldehyde 3-phosphate/Glycerone phosphate	C00118	168.9887	0.62
2/3-Phospho-D-glycerate	C00631	184.9847	0.65
Pyruvate	C00022	87.0073	0.60
Lactate	C01432	89.0229	0.60
Maltose	C00208	341.1089	0.66
Mannitol	C00392	181.0709	0.64
D-Ribose	C00121	149.0456	0.60
D-Arabitol	C01904	151.0612	0.61
Citrate	C00158	191.0187	0.67
2-Oxoglutarate	C00026	145.0131	0.60
2-Oxoglutaramate	C00940	144.0289	0.60
Succinate	C00042	117.0179	0.58
Fumarate	C00122	115.0023	0.61
Malate	C00149	133.0128	0.61
2-Hydroxyglutarate/Citramalate	C02630	147.0292	0.59
D-Glucono-1-5-lactone 6-phosphate	C01236	257.0070	0.59
D-Erythrose 4-phosphate	C00279	199.0007	0.59
Sedoheptulose 1-phosphate	C06222	289.0331	0.58
alpha-D-Ribose 1-phosphate	C00620	229.0114	0.59
Ascorbate	C00072	175.0247	0.62
Dehydroascorbate	C05422	173.0076	0.63
gamma-L-Glutamyl-L-cysteine	C00669	249.0548	0.60
5-L-Glutamyl-taurine	C05844	253.0496	0.59
3-Phosphonooxypyruvate	C03232	182.9669	0.68
N-Acetylneuraminate	C00270	308.0985	0.59
N-Glycoloyl-neuraminate	C03410	324.0935	0.59
alpha-D-Glucosamine 1-phosphate	C06156	258.0381	0.58
L-Arabinose	C00259	149.0455	0.60
1-4-beta-D-Xylan	C02352	131.0342	0.59
UDP-N-acetyl-D-glucosamine	C00043	606.0742	0.55
CMP-N-acetylneuraminate	C00128	613.1399	0.56
beta-L-Arabinose 1-phosphate	C03906	229.0114	0.58
trans-4-Hydroxy-L-proline	C01157	130.0497	0.61
Pantothenol	C00864	218.1029	0.69
Taurine	C00245	124.0060	0.62
3-Sulfino-L-alanine	C00606	152.0014	0.62
L-Selenomethionine	C05335	195.9913	0.65
L-Cysteate	C00506	167.9961	0.66
Glycerol 3-phosphate	C00093	171.0054	0.59
Ethanolamine phosphate	C00346	140.0107	0.60
N-Methylethanolamine phosphate	C01210	154.0262	0.60
Sphingosine 1-phosphate	C06124	378.2400	3.02
sn-glycero-3-Phosphoethanolamine	C01233	214.0478	0.61
Hexanoic acid (caproate)	C01585	115.0751	0.65
Heptanoic acid	C17714	129.0908	1.93
Octanoic acid (caprylic acid)	C06423	143.1065	2.01
Nonanoic acid (pelargonic acid)	C01601	157.1222	2.09
Dodecanoic acid (lauric acid)	C02679	199.1696	2.34
Tetradecanoic acid (myristic acid)	C06424	227.2012	2.59
Hexadecanoic acid (palmitic acid)	C00249	255.2326	2.97
Octadecanoic acid (stearic acid)	C01530	283.2640	3.55
Tetradecenoic acid (myristoleic acid)	C08322	225.1855	2.39
Hexadecenoic acid (Palmitoleic acid)	C08362	253.2170	2.64
Octadecenoic acid (Oleic acid)	C00712	281.2483	3.02
Linoleic acid ((9Z,12Z)-Octadecadienoic acid)	C01595	279.2328	2.69
a-Linolenic acid (Octadecatrienoic acid)	C06427	277.2172	2.48
Arachidonic acid (Eicosatetraenoic acid)	C00219	303.2328	2.59
Docosahexaenoic acid	C06429	327.2330	2.49
Eicosapentaenoic acid	C06428	301.2173	2.41
Dihomo-gamma-linolenic acid ((8Z-11Z-14Z)-Icosatrienoic acid)	C03242	305.2487	2.77
Docosapentaenoic acid ((7Z-10Z-13Z-16Z-19Z)-Docosa-7-10-13-16-19-pentaenoic acid)	C16513	329.2488	2.61
Citrate 13C1	C00158	192.0228	0.6631375
Citrate 13C2	C00158	193.025	0.6870168
Citrate 13C3	C00158	194.031	0.6464354
Citrate 13C4	C00158	195.0316	0.6651838
2-Oxoglutarate 13C5	C00026	150.0297	0.5951046
Itaconate 13C3	C00490	132.0289	0.58915
Itaconate 13C4	C00490	133.032	0.5835452
Itaconate 13C5	C00490	134.0349	0.5931454
Succinate 13C4	C00042	121.0301	0.6372334
Fumarate 13C4	C00122	119.016	0.611162
Malate 13C4	C00149	137.0263	0.6047935
ADP 13C10	C00008	436.0555	0.7278184
AMP 13C10	C00020	356.089	0.6101578
Adenosine 13C5	C00212	271.1049	0.6272187
Adenine 13C5	C00047	139.0628	0.6487604
Fructose bisphosphate 13C6	C00354	345.0125	0.6415796
Phosphoglycerate 13C3	C00631	187.9984	0.6424828
Sedoheptulose 1-phosphate 13C7		296.0535	0.6206983
Ribose phosphate 13C5	C00620	234.0281	0.5889141
Glutathione 13C10	C00051	316.1161	0.6185545
METABOLITES_END
#END