#METABOLOMICS WORKBENCH oilkay_20241205_115113 DATATRACK_ID:5430 STUDY_ID:ST003647 ANALYSIS_ID:AN005991 PROJECT_ID:PR002257
VERSION                          	1
CREATED_ON                       	01-03-2025
#PROJECT
PR:PROJECT_TITLE                 	Integration of metabolomic and transcriptomic analyses reveals novel regulatory
PR:PROJECT_TITLE                 	functions of the ChREBP transcription factor in energy metabolism.
PR:PROJECT_SUMMARY               	In this study, we have integrated transcriptomic and metabolomic analyses to
PR:PROJECT_SUMMARY               	better understand the role of the metabolic regulatory transcription factor
PR:PROJECT_SUMMARY               	ChREBP in coordinated regulation of key pathways of intermediary metabolism in
PR:PROJECT_SUMMARY               	the liver. We have uncovered regulatory effects of ChREBP on metabolic
PR:PROJECT_SUMMARY               	homeostasis beyond it’s historical role in control of core glucose and lipid
PR:PROJECT_SUMMARY               	metabolic pathways, to now include effects on co-factors, transporters for amino
PR:PROJECT_SUMMARY               	acids and other small molecules, nucleotide metabolism, and control of
PR:PROJECT_SUMMARY               	mitochondrial substrate supply.
PR:INSTITUTE                     	Duke University
PR:LAST_NAME                     	Ilkayeva
PR:FIRST_NAME                    	Olga
PR:ADDRESS                       	300 N Duke St, Durham, NC, 27701, USA
PR:EMAIL                         	olga.ilkayeva@duke.edu
PR:PHONE                         	919-479-2370
PR:DOI                           	http://dx.doi.org/10.21228/M8WC2H
#STUDY
ST:STUDY_TITLE                   	Targeted mass spec-based metabolomic and clinical analyte analyses of liver and
ST:STUDY_TITLE                   	plasma samples from rats with and without hepatic knockdown of ChREBP
ST:STUDY_TITLE                   	expression.
ST:STUDY_SUMMARY                 	The transcription factor Carbohydrate Response Element-Binding Protein (ChREBP)
ST:STUDY_SUMMARY                 	activates genes of glucose, fructose and lipid metabolism in response to
ST:STUDY_SUMMARY                 	carbohydrate feeding. Integrated transcriptomic and metabolomic analyses in rats
ST:STUDY_SUMMARY                 	with GalNac-siRNA-mediated suppression of ChREBP expression (GalNac-siChREBP
ST:STUDY_SUMMARY                 	treatment) in liver revealed novel ChREBP functions relative to rats treated
ST:STUDY_SUMMARY                 	with a GalNac vector expressing a non-targeting siRNA (GalNac-siCtrl treatment).
ST:STUDY_SUMMARY                 	GalNac-siChREBP treatment reduced expression of genes involved in coenzyme A
ST:STUDY_SUMMARY                 	(CoA) biosynthesis, and lowered CoA and short chain acyl CoA levels. Despite
ST:STUDY_SUMMARY                 	suppression of pyruvate kinase, pyruvate levels were maintained, possibly via
ST:STUDY_SUMMARY                 	increased expression of pyruvate and amino acid transporters. In addition,
ST:STUDY_SUMMARY                 	expression of multiple anaplerotic enzymes was decreased by GalNac-siChREBP
ST:STUDY_SUMMARY                 	treatment, affecting TCA cycle intermediates. Finally, GalNAc-siChREBP treatment
ST:STUDY_SUMMARY                 	suppressed late steps in purine and NAD synthesis, with increases in precursors
ST:STUDY_SUMMARY                 	and lowering of end products in both pathways. In sum, our studies have revealed
ST:STUDY_SUMMARY                 	functions of ChREBP beyond its canonical roles in carbohydrate and lipid
ST:STUDY_SUMMARY                 	metabolism to include regulation of substrate transport, mitochondrial function,
ST:STUDY_SUMMARY                 	and cellular energy balance.
ST:INSTITUTE                     	Duke University
ST:LAST_NAME                     	Ilkayeva
ST:FIRST_NAME                    	Olga
ST:ADDRESS                       	300 N Duke St, Durham, NC, 27701, USA
ST:EMAIL                         	olga.ilkayeva@duke.edu
ST:PHONE                         	919-479-2370
ST:SUBMIT_DATE                   	2024-12-05
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Rattus norvegicus
SU:TAXONOMY_ID                   	10116
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	R01E4-1	1	Treatment:GalNAc-siChrebp | Sample source:liver	RAW_FILE_NAME(AC raw file name)=AnJie_Newgard_AC_013123_a032; RAW_FILE_NAME(AA raw file name)=AnJie_Newgard_AA_013123_a032; RAW_FILE_NAME(OA raw file name)=AnJie_Newgard_27Liver_OA_052924_a020; RAW_FILE_NAME(BCKA raw file name)=AnJie_Newgard_KA_012723_a032; RAW_FILE_NAME(Nucleotides raw file name)=AnJie_Newgard_Liver_NucleoTides_061024_a028; RAW_FILE_NAME(Creatine/Phosphocreatine raw file name)=AnJie_Newgard_27_Liver_061124_a012; RAW_FILE_NAME(SC Acyl CoAs raw file name)=LC_SC_CoA_032123_a018
SUBJECT_SAMPLE_FACTORS           	R01E4-19	19	Treatment:GalNAc-siChrebp | Sample source:liver	RAW_FILE_NAME(AC raw file name)=AnJie_Newgard_AC_013123_a050; RAW_FILE_NAME(AA raw file name)=AnJie_Newgard_AA_013123_a050; RAW_FILE_NAME(OA raw file name)=AnJie_Newgard_27Liver_OA_052924_a038; RAW_FILE_NAME(BCKA raw file name)=AnJie_Newgard_KA_012723_a050; RAW_FILE_NAME(Nucleotides raw file name)=AnJie_Newgard_Liver_NucleoTides_061024_a023; RAW_FILE_NAME(Creatine/Phosphocreatine raw file name)=AnJie_Newgard_27_Liver_061124_a030; RAW_FILE_NAME(SC Acyl CoAs raw file name)=LC_SC_CoA_032123_a036
SUBJECT_SAMPLE_FACTORS           	R01E4-21	21	Treatment:GalNAc-siChrebp | Sample source:liver	RAW_FILE_NAME(AC raw file name)=AnJie_Newgard_AC_013123_a052; RAW_FILE_NAME(AA raw file name)=AnJie_Newgard_AA_013123_a052; RAW_FILE_NAME(OA raw file name)=AnJie_Newgard_27Liver_OA_052924_a040; RAW_FILE_NAME(BCKA raw file name)=AnJie_Newgard_KA_012723_a052; RAW_FILE_NAME(Nucleotides raw file name)=AnJie_Newgard_Liver_NucleoTides_061024_a038; RAW_FILE_NAME(Creatine/Phosphocreatine raw file name)=AnJie_Newgard_27_Liver_061124_a032; RAW_FILE_NAME(SC Acyl CoAs raw file name)=LC_SC_CoA_032123_a038
SUBJECT_SAMPLE_FACTORS           	R01E4-3	3	Treatment:GalNAc-siChrebp | Sample source:liver	RAW_FILE_NAME(AC raw file name)=AnJie_Newgard_AC_013123_a034; RAW_FILE_NAME(AA raw file name)=AnJie_Newgard_AA_013123_a034; RAW_FILE_NAME(OA raw file name)=AnJie_Newgard_27Liver_OA_052924_a022; RAW_FILE_NAME(BCKA raw file name)=AnJie_Newgard_KA_012723_a034; RAW_FILE_NAME(Nucleotides raw file name)=AnJie_Newgard_Liver_NucleoTides_061024_a033; RAW_FILE_NAME(Creatine/Phosphocreatine raw file name)=AnJie_Newgard_27_Liver_061124_a014; RAW_FILE_NAME(SC Acyl CoAs raw file name)=LC_SC_CoA_032123_a020
SUBJECT_SAMPLE_FACTORS           	R01E4-6	6	Treatment:GalNAc-siChrebp | Sample source:liver	RAW_FILE_NAME(AC raw file name)=AnJie_Newgard_AC_013123_a037; RAW_FILE_NAME(AA raw file name)=AnJie_Newgard_AA_013123_a037; RAW_FILE_NAME(OA raw file name)=AnJie_Newgard_27Liver_OA_052924_a025; RAW_FILE_NAME(BCKA raw file name)=AnJie_Newgard_KA_012723_a037; RAW_FILE_NAME(Nucleotides raw file name)=AnJie_Newgard_Liver_NucleoTides_061024_a031; RAW_FILE_NAME(Creatine/Phosphocreatine raw file name)=AnJie_Newgard_27_Liver_061124_a017; RAW_FILE_NAME(SC Acyl CoAs raw file name)=LC_SC_CoA_032123_a023
SUBJECT_SAMPLE_FACTORS           	R01E4-7	7	Treatment:GalNAc-siChrebp | Sample source:liver	RAW_FILE_NAME(AC raw file name)=AnJie_Newgard_AC_013123_a038; RAW_FILE_NAME(AA raw file name)=AnJie_Newgard_AA_013123_a038; RAW_FILE_NAME(OA raw file name)=AnJie_Newgard_27Liver_OA_052924_a026; RAW_FILE_NAME(BCKA raw file name)=AnJie_Newgard_KA_012723_a038; RAW_FILE_NAME(Nucleotides raw file name)=AnJie_Newgard_Liver_NucleoTides_061024_a042; RAW_FILE_NAME(Creatine/Phosphocreatine raw file name)=AnJie_Newgard_27_Liver_061124_a018; RAW_FILE_NAME(SC Acyl CoAs raw file name)=LC_SC_CoA_032123_a024
SUBJECT_SAMPLE_FACTORS           	R01E4-15	15	Treatment:GalNAc-siCtrl | Sample source:liver	RAW_FILE_NAME(AC raw file name)=AnJie_Newgard_AC_013123_a046; RAW_FILE_NAME(AA raw file name)=AnJie_Newgard_AA_013123_a046; RAW_FILE_NAME(OA raw file name)=AnJie_Newgard_27Liver_OA_052924_a034; RAW_FILE_NAME(BCKA raw file name)=AnJie_Newgard_KA_012723_a046; RAW_FILE_NAME(Nucleotides raw file name)=AnJie_Newgard_Liver_NucleoTides_061024_a029; RAW_FILE_NAME(Creatine/Phosphocreatine raw file name)=AnJie_Newgard_27_Liver_061124_a026; RAW_FILE_NAME(SC Acyl CoAs raw file name)=LC_SC_CoA_032123_a032
SUBJECT_SAMPLE_FACTORS           	R01E4-17	17	Treatment:GalNAc-siCtrl | Sample source:liver	RAW_FILE_NAME(AC raw file name)=AnJie_Newgard_AC_013123_a048; RAW_FILE_NAME(AA raw file name)=AnJie_Newgard_AA_013123_a048; RAW_FILE_NAME(OA raw file name)=AnJie_Newgard_27Liver_OA_052924_a036; RAW_FILE_NAME(BCKA raw file name)=AnJie_Newgard_KA_012723_a048; RAW_FILE_NAME(Nucleotides raw file name)=AnJie_Newgard_Liver_NucleoTides_061024_a021; RAW_FILE_NAME(Creatine/Phosphocreatine raw file name)=AnJie_Newgard_27_Liver_061124_a028; RAW_FILE_NAME(SC Acyl CoAs raw file name)=LC_SC_CoA_032123_a034
SUBJECT_SAMPLE_FACTORS           	R01E4-18	18	Treatment:GalNAc-siCtrl | Sample source:liver	RAW_FILE_NAME(AC raw file name)=AnJie_Newgard_AC_013123_a049; RAW_FILE_NAME(AA raw file name)=AnJie_Newgard_AA_013123_a049; RAW_FILE_NAME(OA raw file name)=AnJie_Newgard_27Liver_OA_052924_a037; RAW_FILE_NAME(BCKA raw file name)=AnJie_Newgard_KA_012723_a049; RAW_FILE_NAME(Nucleotides raw file name)=AnJie_Newgard_Liver_NucleoTides_061024_a045; RAW_FILE_NAME(Creatine/Phosphocreatine raw file name)=AnJie_Newgard_27_Liver_061124_a029; RAW_FILE_NAME(SC Acyl CoAs raw file name)=LC_SC_CoA_032123_a035
SUBJECT_SAMPLE_FACTORS           	R01E4-2	2	Treatment:GalNAc-siCtrl | Sample source:liver	RAW_FILE_NAME(AC raw file name)=AnJie_Newgard_AC_013123_a033; RAW_FILE_NAME(AA raw file name)=AnJie_Newgard_AA_013123_a033; RAW_FILE_NAME(OA raw file name)=AnJie_Newgard_27Liver_OA_052924_a021; RAW_FILE_NAME(BCKA raw file name)=AnJie_Newgard_KA_012723_a033; RAW_FILE_NAME(Nucleotides raw file name)=AnJie_Newgard_Liver_NucleoTides_061024_a026; RAW_FILE_NAME(Creatine/Phosphocreatine raw file name)=AnJie_Newgard_27_Liver_061124_a013; RAW_FILE_NAME(SC Acyl CoAs raw file name)=LC_SC_CoA_032123_a019
SUBJECT_SAMPLE_FACTORS           	R01E4-10	10	Treatment:Sal | Sample source:liver	RAW_FILE_NAME(AC raw file name)=AnJie_Newgard_AC_013123_a041; RAW_FILE_NAME(AA raw file name)=-; RAW_FILE_NAME(OA raw file name)=-; RAW_FILE_NAME(BCKA raw file name)=-; RAW_FILE_NAME(Nucleotides raw file name)=-; RAW_FILE_NAME(Creatine/Phosphocreatine raw file name)=-; RAW_FILE_NAME(SC Acyl CoAs raw file name)=-
SUBJECT_SAMPLE_FACTORS           	R01E4-11	11	Treatment:Sal | Sample source:liver	RAW_FILE_NAME(AC raw file name)=AnJie_Newgard_AC_013123_a042; RAW_FILE_NAME(AA raw file name)=-; RAW_FILE_NAME(OA raw file name)=-; RAW_FILE_NAME(BCKA raw file name)=-; RAW_FILE_NAME(Nucleotides raw file name)=-; RAW_FILE_NAME(Creatine/Phosphocreatine raw file name)=-; RAW_FILE_NAME(SC Acyl CoAs raw file name)=-
SUBJECT_SAMPLE_FACTORS           	R01E4-13	13	Treatment:Sal | Sample source:liver	RAW_FILE_NAME(AC raw file name)=AnJie_Newgard_AC_013123_a044; RAW_FILE_NAME(AA raw file name)=-; RAW_FILE_NAME(OA raw file name)=-; RAW_FILE_NAME(BCKA raw file name)=-; RAW_FILE_NAME(Nucleotides raw file name)=-; RAW_FILE_NAME(Creatine/Phosphocreatine raw file name)=-; RAW_FILE_NAME(SC Acyl CoAs raw file name)=-
SUBJECT_SAMPLE_FACTORS           	R01E4-4	4	Treatment:Sal | Sample source:liver	RAW_FILE_NAME(AC raw file name)=AnJie_Newgard_AC_013123_a035; RAW_FILE_NAME(AA raw file name)=-; RAW_FILE_NAME(OA raw file name)=-; RAW_FILE_NAME(BCKA raw file name)=-; RAW_FILE_NAME(Nucleotides raw file name)=-; RAW_FILE_NAME(Creatine/Phosphocreatine raw file name)=-; RAW_FILE_NAME(SC Acyl CoAs raw file name)=-
SUBJECT_SAMPLE_FACTORS           	R01E4-9	9	Treatment:Sal | Sample source:liver	RAW_FILE_NAME(AC raw file name)=AnJie_Newgard_AC_013123_a040; RAW_FILE_NAME(AA raw file name)=-; RAW_FILE_NAME(OA raw file name)=-; RAW_FILE_NAME(BCKA raw file name)=-; RAW_FILE_NAME(Nucleotides raw file name)=-; RAW_FILE_NAME(Creatine/Phosphocreatine raw file name)=-; RAW_FILE_NAME(SC Acyl CoAs raw file name)=-
#COLLECTION
CO:COLLECTION_SUMMARY            	On day 28 between 8 AM-noon, animals were anesthetized and sacrificed for
CO:COLLECTION_SUMMARY            	collection of plasma and tissue samples. To minimize tissue harvest time, a team
CO:COLLECTION_SUMMARY            	of 3 scientists collected tissues from the animals via the following procedure.
CO:COLLECTION_SUMMARY            	Animals were anesthetized with 250 mg/kg Nembutal, and the abdomen and diaphragm
CO:COLLECTION_SUMMARY            	were surgically opened. Five ml of blood was drawn from the heart, and one
CO:COLLECTION_SUMMARY            	operator centrifuged the sample, collected the plasma, and transferred it to
CO:COLLECTION_SUMMARY            	Eppendorf tubes for rapid freezing by submersion in liquid nitrogen. The other
CO:COLLECTION_SUMMARY            	two team members proceeded to immediate surgical excision of the heart and
CO:COLLECTION_SUMMARY            	liver, which were briefly rinsed with ice-cold PBS, quickly wrapped in aluminum
CO:COLLECTION_SUMMARY            	foil, and then frozen by submersion in liquid nitrogen. The time elapsed between
CO:COLLECTION_SUMMARY            	beginning of surgery to removal and freezing of the heart and liver was less
CO:COLLECTION_SUMMARY            	than 2 minutes. Other tissues (skeletal muscle, adipose, kidney) were collected
CO:COLLECTION_SUMMARY            	after excision of the heart and liver and rapidly frozen in liquid nitrogen. All
CO:COLLECTION_SUMMARY            	tissues were stored at -80C until processing for metabolomic, transcriptomic,
CO:COLLECTION_SUMMARY            	and proteomic analyses.
CO:SAMPLE_TYPE                   	Liver
#TREATMENT
TR:TREATMENT_SUMMARY             	All procedures were approved by Duke University Institutional Animal Care and
TR:TREATMENT_SUMMARY             	Use Committee and performed according to the regulations of the committee.
TR:TREATMENT_SUMMARY             	Breeding pairs of Obese Prone CD (OP/CD) Sprague Dawley rats were gifts from Dr.
TR:TREATMENT_SUMMARY             	Warren Grill and Dr. Eric Gonzalez, Duke University, and a colony was
TR:TREATMENT_SUMMARY             	established and maintained by Duke Laboratory Animal Resources (DLAR). Starting
TR:TREATMENT_SUMMARY             	at 4 weeks of age, male OP/CD rats were single-housed with a light cycle of 7 AM
TR:TREATMENT_SUMMARY             	on/7 PM off, and fed ad libitum with a high-fat/high-sucrose (HF/HS) diet
TR:TREATMENT_SUMMARY             	(D12451i, Research Diets) containing 47% fat (kcal) and 17% sucrose (kcal). Body
TR:TREATMENT_SUMMARY             	weight and food intake were monitored weekly. After 9 weeks of feeding of the
TR:TREATMENT_SUMMARY             	HF/HS diet, plasma samples were collected via saphenous vein bleeding. One week
TR:TREATMENT_SUMMARY             	later, animals received an initial subcutaneous injection of one of two
TR:TREATMENT_SUMMARY             	GalNAc-siRNA constructs at a dose of 9 mg/kg body weight, or an equal volume of
TR:TREATMENT_SUMMARY             	the diluent (PBS), (see below for description of the two GalNAc-siRNA reagents).
TR:TREATMENT_SUMMARY             	Additional doses of each GalNAc-siRNA construct were injected at 10, 18 and 25
TR:TREATMENT_SUMMARY             	days after the first injection. Animals were fasted overnight one day after the
TR:TREATMENT_SUMMARY             	third injection (day 19), and subjected to an intraperitoneal glucose tolerance
TR:TREATMENT_SUMMARY             	test (IPGTT) on the following day. Animals were weighed and a glucose solution
TR:TREATMENT_SUMMARY             	(1g/kg body weight) was administered via intraperitoneal injection. Tail blood
TR:TREATMENT_SUMMARY             	samples were obtained and glucose levels measured with a blood glucose meter
TR:TREATMENT_SUMMARY             	(CVSHealth) immediately before and at 30,60, 90, 120, and 180 minutes after
TR:TREATMENT_SUMMARY             	bolus injection of glucose. One day after the fourth GalNAc-siRNA or saline
TR:TREATMENT_SUMMARY             	injection on day 25, plasma samples were collected via saphenous vein bleeding.
TR:TREATMENT_SUMMARY             	A bolus of deuterium oxide (D2O, 10 ml/kg body weight, Sigma Aldrich) was then
TR:TREATMENT_SUMMARY             	given by intraperitoneal injection and followed by free access to drinking water
TR:TREATMENT_SUMMARY             	supplemented with 4% D2O for the rest of the experimental period. Saphenous
TR:TREATMENT_SUMMARY             	plasma samples were collected again one day after the bolus delivery of D2O (day
TR:TREATMENT_SUMMARY             	27).
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	To prepare samples for analyses, frozen livers were pulverized under liquid
SP:SAMPLEPREP_SUMMARY            	nitrogen, and weighed aliquots of the powder (50 mg powdered tissue/aliquot)
SP:SAMPLEPREP_SUMMARY            	were transferred into pre-frozen Eppendorf tubes for further homogenization at
SP:SAMPLEPREP_SUMMARY            	50 mg of wet tissue per 1 ml of homogenate using the following buffers: 50%
SP:SAMPLEPREP_SUMMARY            	acetonitrile/0.3% formic acid for the analysis of amino acids, acylcarnitines,
SP:SAMPLEPREP_SUMMARY            	organic acids, creatine, and phosphocreatine; 3M perchloric acid for the
SP:SAMPLEPREP_SUMMARY            	analysis of branched-chain keto acids; 0.3M perchloric acid for the analysis of
SP:SAMPLEPREP_SUMMARY            	short-chain acyl CoAs; 100% methanol for the analysis of nucleotides.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	LC-MS/MS analysis of creatine and phosphocreatine
CH:INSTRUMENT_NAME               	Waters Acquity I-Class
CH:COLUMN_NAME                   	Thermo Hypercarb (100 x 2.1mm,3um)
CH:COLUMN_TEMPERATURE            	30
CH:FLOW_GRADIENT                 	t=0, B=0%; t=4 min., B=60%; t=4.1 min., B=90% followed by 1 min wash and 2 min
CH:FLOW_GRADIENT                 	re-equilibration at the initial conditions.
CH:FLOW_RATE                     	0.4 ml/min
CH:SOLVENT_A                     	20 mM ammonium bicarbonate, pH=10
CH:SOLVENT_B                     	acetonitrile
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Waters Xevo TQ-XS
MS:INSTRUMENT_TYPE               	Triple quadrupole
MS:MS_TYPE                       	ESI
MS:MS_COMMENTS                   	Creatine and phosphocreatine were detected in the negative MRM mode based on a
MS:MS_COMMENTS                   	characteristic fragmentation reaction: creatine 130/88, creatine-d3 133/91,
MS:MS_COMMENTS                   	phosphocreatine 210/79. Metabolite concentrations were computed using a ratio to
MS:MS_COMMENTS                   	creatinine-d3. TargetLynx was used for data processing.
MS:ION_MODE                      	NEGATIVE
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	µM
MS_METABOLITE_DATA_START
Samples	1	19	21	3	6	7	15	17	18	2
Factors	Treatment:GalNAc-siChrebp | Sample source:liver	Treatment:GalNAc-siChrebp | Sample source:liver	Treatment:GalNAc-siChrebp | Sample source:liver	Treatment:GalNAc-siChrebp | Sample source:liver	Treatment:GalNAc-siChrebp | Sample source:liver	Treatment:GalNAc-siChrebp | Sample source:liver	Treatment:GalNAc-siCtrl | Sample source:liver	Treatment:GalNAc-siCtrl | Sample source:liver	Treatment:GalNAc-siCtrl | Sample source:liver	Treatment:GalNAc-siCtrl | Sample source:liver	
creatine	14.9507	6.2131	9.3114	7.4083	7.4624	7.5548	9.7310	11.4744	13.9289	13.2387
phosphocreatine	3.7423	2.3899	2.7960	2.2669	1.9981	2.0984	1.2078	1.0474	1.2990	1.8318
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	pubchem_id	inchi_key	kegg_id	other_id	other_id_type	ri	ri_type	moverz_quant	
creatine									
phosphocreatine									
METABOLITES_END
#END