#METABOLOMICS WORKBENCH Ammons_DRCC_METADATA_031015 DATATRACK_ID:215 STUDY_ID:ST000150 ANALYSIS_ID:AN000237
VERSION                          	1
CREATED_ON                       	08-08-2023
#PROJECT
PR:PROJECT_TITLE                 	Association of Metabolic Profile and Microbiome in Chronic Pressure Ulcer Wounds
PR:PROJECT_TYPE                  	NMR metabolomic and 16S rRNA taxonomic profiling in chronic pressure ulcer
PR:PROJECT_TYPE                  	wounds
PR:PROJECT_SUMMARY               	Chronic, non-healing wounds contribute significantly to the suffering of
PR:PROJECT_SUMMARY               	patients with co-morbidities in the clinical population with mild to severely
PR:PROJECT_SUMMARY               	compromised immune systems. Normal wound healing proceeds through a
PR:PROJECT_SUMMARY               	well-described process. However, in chronic wounds this process seems to become
PR:PROJECT_SUMMARY               	dysregulated at the transition between resolution of inflammation and
PR:PROJECT_SUMMARY               	re-epithelialization. Bioburden in the form of colonizing bacteria is a major
PR:PROJECT_SUMMARY               	contributor to the delayed headlining in chronic wounds such as pressure ulcers.
PR:PROJECT_SUMMARY               	However how the microbiome influences the wound metabolic landscape is unknown.
PR:PROJECT_SUMMARY               	Here, we have used a Systems Biology approach to determine the association
PR:PROJECT_SUMMARY               	between the taxonomic and metabolomic profile of wounds colonized by bacteria.
PR:PROJECT_SUMMARY               	Pressure ulcer biopsies were harvested from primary chronic wounds and bisected
PR:PROJECT_SUMMARY               	into top and bottom sections prior to analysis of microbiome by pyrosequencing
PR:PROJECT_SUMMARY               	and analysis of metabolome using 1H nuclear magnetic resonance (NMR)
PR:PROJECT_SUMMARY               	spectroscopy. Bacterial taxonomy revealed that wounds were colonized
PR:PROJECT_SUMMARY               	predominantly by three main phyla, but differed significantly at the genus
PR:PROJECT_SUMMARY               	level. While taxonomic profiles demonstrated significant variability between
PR:PROJECT_SUMMARY               	wounds, metabolic profiles shared significant similarity based on the depth of
PR:PROJECT_SUMMARY               	the wound biopsy. Association between taxonomy and metabolic landscape indicated
PR:PROJECT_SUMMARY               	significant wound-to-wound similarity in metabolite enrichment sets and
PR:PROJECT_SUMMARY               	metabolic pathway impacts, especially with regard to amino acid metabolism. To
PR:PROJECT_SUMMARY               	our knowledge, this is the first demonstration of a statistically robust
PR:PROJECT_SUMMARY               	correlation between bacterial colonization and metabolic landscape within the
PR:PROJECT_SUMMARY               	chronic wound environment.
PR:INSTITUTE                     	Montana State University
PR:DEPARTMENT                    	Chemistry and Biochemistry
PR:LABORATORY                    	Ammons and Copie
PR:LAST_NAME                     	Ammons
PR:FIRST_NAME                    	Mary Cloud
PR:ADDRESS                       	103 CBB, Montana State University, Bozeman, MT 59717
PR:EMAIL                         	mcammons@chemistry.montana.edu
PR:PHONE                         	406-600-0301
PR:FUNDING_SOURCE                	NIH 1KO1GM103821-01 and 1RO3AR060995-01A1
PR:DOI                           	http://dx.doi.org/10.21228/M8WW2P
#STUDY
ST:STUDY_TITLE                   	Association of Metabolic Profile and Microbiome in Chronic Pressure Ulcer Wounds
ST:STUDY_SUMMARY                 	Chronic, non-healing wounds contribute significantly to the suffering of
ST:STUDY_SUMMARY                 	patients with co-morbidities in the clinical population with mild to severely
ST:STUDY_SUMMARY                 	compromised immune systems. Normal wound healing proceeds through a
ST:STUDY_SUMMARY                 	well-described process. However, in chronic wounds this process seems to become
ST:STUDY_SUMMARY                 	dysregulated at the transition between resolution of inflammation and
ST:STUDY_SUMMARY                 	re-epithelialization. Bioburden in the form of colonizing bacteria is a major
ST:STUDY_SUMMARY                 	contributor to the delayed headlining in chronic wounds such as pressure ulcers.
ST:STUDY_SUMMARY                 	However how the microbiome influences the wound metabolic landscape is unknown.
ST:STUDY_SUMMARY                 	Here, we have used a Systems Biology approach to determine the association
ST:STUDY_SUMMARY                 	between the taxonomic and metabolomic profile of wounds colonized by bacteria.
ST:STUDY_SUMMARY                 	Pressure ulcer biopsies were harvested from primary chronic wounds and bisected
ST:STUDY_SUMMARY                 	into top and bottom sections prior to analysis of microbiome by pyrosequencing
ST:STUDY_SUMMARY                 	and analysis of metabolome using 1H nuclear magnetic resonance (NMR)
ST:STUDY_SUMMARY                 	spectroscopy. Bacterial taxonomy revealed that wounds were colonized
ST:STUDY_SUMMARY                 	predominantly by three main phyla, but differed significantly at the genus
ST:STUDY_SUMMARY                 	level. While taxonomic profiles demonstrated significant variability between
ST:STUDY_SUMMARY                 	wounds, metabolic profiles shared significant similarity based on the depth of
ST:STUDY_SUMMARY                 	the wound biopsy. Association between taxonomy and metabolic landscape indicated
ST:STUDY_SUMMARY                 	significant wound-to-wound similarity in metabolite enrichment sets and
ST:STUDY_SUMMARY                 	metabolic pathway impacts, especially with regard to amino acid metabolism. To
ST:STUDY_SUMMARY                 	our knowledge, this is the first demonstration of a statistically robust
ST:STUDY_SUMMARY                 	correlation between bacterial colonization and metabolic landscape within the
ST:STUDY_SUMMARY                 	chronic wound environment.
ST:INSTITUTE                     	Montana State University
ST:DEPARTMENT                    	Chemistry and Biochemistry
ST:LABORATORY                    	Ammons
ST:LAST_NAME                     	Ammons
ST:FIRST_NAME                    	Mary Cloud
ST:ADDRESS                       	103 CBB, Montana State University, Bozeman, MT 59717
ST:EMAIL                         	mcammons@chemistry.montana.edu
ST:PHONE                         	406-600-0301
ST:SUBMIT_DATE                   	2015-03-10
#SUBJECT
SU:SUBJECT_TYPE                  	Human
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
SU:AGE_OR_AGE_RANGE              	63|27|23|43
SU:GENDER                        	Male|Female|Female|Male
SU:HUMAN_RACE                    	African American|African American|White, non-hispanic|African American
SU:HUMAN_ETHNICITY               	Cerebral palsy, mental retardation, scoliosis, seizure disorder|Deep vein
SU:HUMAN_ETHNICITY               	thrombosis, anemia, bipolar, herpes simplex virus|Urinary tract infection,
SU:HUMAN_ETHNICITY               	anxiety, depression
SU:HUMAN_LIFESTYLE_FACTORS       	None|Cerebral palsy, mental retardation, scoliosis, seizure disorder|Deep vein
SU:HUMAN_LIFESTYLE_FACTORS       	thrombosis, anemia, bipolar, herpes simplex virus|Urinary tract infection,
SU:HUMAN_LIFESTYLE_FACTORS       	anxiety, depression
SU:HUMAN_MEDICATIONS             	Systemic:Bactrim Topical:None|None|Systemic:Vancomycin|Systemic:Doxycycline
SU:HUMAN_MEDICATIONS             	Topical:Mesalt
SU:HUMAN_NUTRITION               	Well nourished|G-tube fed, liquid only, malnourished|Well nourished|Inadequate
SU:HUMAN_NUTRITION               	protein intake
SU:SPECIES_GROUP                 	Human
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	P1T/P1B	P1B	Patient:Patient 1	
SUBJECT_SAMPLE_FACTORS           	P1T/P1B	P1T	Patient:Patient 1	
SUBJECT_SAMPLE_FACTORS           	P2T/P2B	P2B	Patient:Patient 2	
SUBJECT_SAMPLE_FACTORS           	P2T/P2B	P2T	Patient:Patient 2	
SUBJECT_SAMPLE_FACTORS           	P3T/P3B	P3B	Patient:Patient 3	
SUBJECT_SAMPLE_FACTORS           	P3T/P3B	P3T	Patient:Patient 3	
SUBJECT_SAMPLE_FACTORS           	P4T/P4B	P4B	Patient:Patient 4	
SUBJECT_SAMPLE_FACTORS           	P4T/P4B	P4T	Patient:Patient 4	
#COLLECTION
CO:COLLECTION_SUMMARY            	Samples were collected via punch biopsy from wound edge and sectioned into top
CO:COLLECTION_SUMMARY            	and bottom<br>
CO:COLLECTION_PROTOCOL_COMMENTS  	Chronicity is defined as wounds lasting more than 30 days
CO:SAMPLE_TYPE                   	Tissue
CO:COLLECTION_METHOD             	Punch biopsy
CO:COLLECTION_LOCATION           	Wound Edge
CO:COLLECTION_FREQUENCY          	Single Collection
CO:VOLUMEORAMOUNT_COLLECTED      	9-32 mg
CO:STORAGE_CONDITIONS            	Flash frozen in liquid nitrogen, shipped on dry ice, stored at -80C<br>
CO:TISSUE_CELL_IDENTIFICATION    	T=Top section    B=Bottom section
CO:TISSUE_CELL_QUANTITY_TAKEN    	9-32mg
#TREATMENT
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Cold methanol/chloroform extraction
SP:PROCESSING_METHOD             	Biopsy samples were resuspended in ice-cold 60% aqueous methanol and homogenized
SP:PROCESSING_METHOD             	using a tissue homogenizer (Tissue Tearor™ Model 985370-395, Biospec Products
SP:PROCESSING_METHOD             	Inc., Bartlesville, OK) set to 2-minute intervals of 10 seconds on and 5 seconds
SP:PROCESSING_METHOD             	off
SP:PROCESSING_STORAGE_CONDITIONS 	On ice
SP:EXTRACTION_METHOD             	1:1 aqueous chloroform
SP:EXTRACT_CLEANUP               	Aqueous layers collected and lyophilized
SP:EXTRACT_STORAGE               	Lyophilized samples were stored at -80C
SP:SAMPLE_RESUSPENSION           	Resuspended in 10mM NaH2PO4/Na2HPO4
SP:ORGAN                         	Skin
SP:ORGAN_SPECIFICATION           	Chronic wound biopsy
#CHROMATOGRAPHY
#ANALYSIS
AN:LABORATORY_NAME               	Copie Lab
AN:ANALYSIS_TYPE                 	NMR
AN:SOFTWARE_VERSION              	Topspin version 3
AN:OPERATOR_NAME                 	Brian Tripet
AN:DETECTOR_TYPE                 	cryoprobeTM
#NMR
NM:INSTRUMENT_NAME               	Bruker Avance III
NM:INSTRUMENT_TYPE               	FT-NMR
NM:NMR_EXPERIMENT_TYPE           	1D 1H
NM:SPECTROMETER_FREQUENCY        	600 MHz
NM:OFFSET_FREQUENCY              	600 mHz
NM:PRESATURATION_POWER_LEVEL     	cryoprobeTM
NM:CHEMICAL_SHIFT_REF_CPD        	10mM NaH2PO4/ Na2HPO4
#NMR_METABOLITE_DATA
NMR_METABOLITE_DATA:UNITS        	mM/gm tissue
NMR_METABOLITE_DATA_START
Samples	P1B	P1T	P2B	P2T	P3B	P3T	P4B	P4T
Factors	Patient:Patient 1	Patient:Patient 1	Patient:Patient 2	Patient:Patient 2	Patient:Patient 3	Patient:Patient 3	Patient:Patient 4	Patient:Patient 4	
1_3-dihydroxyacetone	0.1591							
1_3-dimethylurate			0.0548					
2-aminobutyrate			0.2581	0.1545	0.3645	0.6474		
2-ethylacrylate			0.1548			0.2895		
2-hydroxy-3-methylvalerate	0.2864		0.3806		0.2000			0.2810
2-hydroxybutyrate			0.1065		0.4548			
2-hydroxyisocaproate					0.2452			0.1524
2-hydroxyphenylacetate					0.0774			
2-Octenoate								0.6810
2-oxocaproate			0.1032					
2-oxoglutarate			3.7742	0.0818	0.1903			
2-phosphoglycerate	1.4682	12.1444			2.9613			1.3333
3_5-dibromotyrosine					0.1387			
3-chlorotyrosine	0.1864							
3-hydroxyisovalerate	0.2182	0.9667	0.1452	0.1636	0.2710	0.4526		0.1381
3-methyl-2-oxovalerate			0.0839					
3-methyladipate					0.3000			
3-methylxanthine			0.1516					
4-pyridoxate		1.0333	0.2032	0.1136				0.3286
5-aminolevulinate								0.3476
6-hydroxynicotinate			0.1935					0.3381
Acetamide	0.0909							
Acetate	1.5955	1.6778	1.5419	1.7727	1.4806	2.2316		1.7048
Acetoacetate			0.0935	0.1000				
Acetone		0.2667		0.0591				0.0810
Adenine	0.6091			0.6545	1.0645	1.0368		0.4619
Adenosine					0.1355			
Alanine	1.1636	2.1444	1.1065	0.8818	2.0484	2.7263		0.4762
Allantoin		4.5333	0.7484		0.7161	2.0053		1.1857
Alloisoleucine	0.3182	0.8111		0.3909	0.2161	0.9211		
Anserine	0.1864				0.3129			0.6048
Arabinitol			0.3194					
Arginine					0.3839			
Ascorbate			0.9000	0.6682			0.3590	0.8429
Aspartate					0.8548			
Betaine	0.1091	0.7333	0.0742	0.0955		0.2632		
Butanone					0.1355			
Butyrate			0.1258		0.1935			
Choline		0.7222	0.2710	0.1364	0.6613	0.8684		0.2143
cis-Aconitate	0.7136				0.2484			
Citrate					0.1452			
Creatine	0.4955	0.5889	0.2645	0.1500	0.3742	0.2316		0.1667
Creatine phosphate		0.6222	0.2516	0.2000		0.3632		0.1476
Creatinine			0.2742	0.1909	0.3548	0.3316		
Cysteine					0.7097			
Dimethyl sulfone				0.0545	0.0419			
Ethanol	3.6864	8.7111	2.5806	3.0182	2.8774	4.8842	3.1897	3.3857
Ethanolamine	0.6000				0.7484			
Ethylene glycol	0.1364		0.1839		0.1452			0.2048
Ethylmalonate	0.2409	0.5000		0.4864		0.6211		0.1762
Formate	1.8591	5.4778	2.8129	2.2091	2.3000	3.3526		2.3286
Fucose			0.1290					
Galactarate			0.5258			0.6421		
Galactose					1.3387		0.8179	
Glucarate						1.6158		
Glucose	3.4182	7.3222	0.7677	1.4682	2.5484	2.3263	2.0308	2.6619
Glutamate	2.0955			0.4545	1.7839	2.4895		0.7571
Glutamine	0.8682				0.8032			
Glutarate								0.1571
Glycerate	1.5318							
Glycine	1.3727		0.7742	0.6318	1.1677	1.2105		0.6429
Glycolate	0.2864	0.8778	0.3387	0.4909	0.1226	0.7053		0.2619
GTP					0.2129			
Guanidoacetate								0.2619
Homocysteine	0.2500							
Homoserine	0.9682			0.7091	0.5129			0.8286
Hypoxanthine	0.4409		0.1710	0.5273	0.8097	0.7842		0.3476
Inosine	0.2864				0.2226			
Isobutyrate			0.0516					
Isocaproate	0.1136					0.1579		
Isocitrate					0.8323			0.4714
Isoleucine	0.2545							
Isovalerate	0.0818							
Lactate	3.8000	8.1222	16.0419	7.5227	7.9129	12.7316	2.1590	2.2667
Leucine	0.1727	0.8000	0.0968		0.8194	0.5737		0.1429
Lysine			0.2839					
Malate					0.4548			
Maleate					0.1258			
Malonate					0.1645			
Methanol	5.2727	10.0111	3.8032	4.6091	7.1452	7.0000	2.7333	4.4905
Methionine								0.1048
Methylamine			0.1129					0.2000
Methylguanidine	0.1591		0.0806					0.1095
Methylmalonate	0.1591				0.1355			0.3524
myo-inositol	0.8818		0.4387					
N-acetylcysteine					0.1419			0.1524
N-acetylglutamate					0.0903			
N-acetylglutamine					0.0871			
N-acetylglycine					0.1258			0.1048
N-acetylornithine					0.1161			
N_N-dimethylformamide	0.0818					0.1789		
O-acetylcarnitine					0.1581			
O-acetylcholine					0.1387			
O-phosphocholine	0.5636	0.4778			0.1871	0.8211		
O-phosphoethanolamine					0.8613	1.2789		
O-phosphoserine							0.9077	
Oxypurinol	4.4182				3.9065		3.0692	
Proline	0.8955							0.3762
Propionate				0.1682				
Protocatechuate			0.2548					
Pyridoxine			0.0548					
Pyruvate					0.2581	0.1895		0.1571
Serine	1.0136				1.1452			0.9524
Succinate	0.1682	0.4111	0.0806	0.0636	0.1032			
Succinylacetone								0.2381
Tartrate	1.6318		0.8387		1.0387	1.6421	1.0744	
Taurine	1.6955		0.6806	0.5000	3.4935	4.2158		0.6048
Threonine					0.9452			
Threophylline	0.1136							
trans-4-hydroxy-L-proline								0.8667
trans-aconitate					0.1871			
Treonate								1.1333
Trimethylamine N-oxide	0.0727	0.6333	0.0387	0.1545				0.0571
Tyramine					0.1452			
Tyrosine	0.3818				0.0968			
Uridine	0.5409				0.2452			
Valerate			0.0742					
Valine	0.3545	0.6000	0.5323	0.4636	0.7032	1.3053		0.2095
Valproate			0.0613	0.1591	0.2548	0.2474		
Xanthosine		0.6111						
Xylose	0.6864
NMR_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	pubchem_id	inchi_key	kegg_id	other_id	other_id_type	ri	ri_type	moverz_quant	
1,3-dihydroxyacetone	670		C00184		UMontana_Ammons_Lab_ID				
1,3-dimethylurate	70346				UMontana_Ammons_Lab_ID				
2-aminobutyrate	6657				UMontana_Ammons_Lab_ID				
2-ethylacrylate					UMontana_Ammons_Lab_ID				
2-hydroxy-3-methylvalerate	10796774				UMontana_Ammons_Lab_ID				
2-hydroxybutyrate	11266		C05984		UMontana_Ammons_Lab_ID				
2-hydroxyisocaproate	92779				UMontana_Ammons_Lab_ID				
2-hydroxyphenylacetate	11914		C01983		UMontana_Ammons_Lab_ID				
2-Octenoate					UMontana_Ammons_Lab_ID				
2-oxocaproate					UMontana_Ammons_Lab_ID				
2-oxoglutarate	51		C00026		UMontana_Ammons_Lab_ID				
2-phosphoglycerate	59				UMontana_Ammons_Lab_ID				
3,5-dibromotyrosine	67532		C03224		UMontana_Ammons_Lab_ID				
3-chlorotyrosine	119226				UMontana_Ammons_Lab_ID				
3-hydroxyisovalerate	69362				UMontana_Ammons_Lab_ID				
3-methyl-2-oxovalerate	47		C03465		UMontana_Ammons_Lab_ID				
3-methyladipate	6999745				UMontana_Ammons_Lab_ID				
3-methylxanthine	70639		C16357		UMontana_Ammons_Lab_ID				
4-pyridoxate	6723		C00847		UMontana_Ammons_Lab_ID				
5-aminolevulinate	137		C00430		UMontana_Ammons_Lab_ID				
6-hydroxynicotinate	72924		C01020		UMontana_Ammons_Lab_ID				
Acetamide	178		C06244		UMontana_Ammons_Lab_ID				
Acetate	176		C00033		UMontana_Ammons_Lab_ID				
Acetoacetate	96		C00164		UMontana_Ammons_Lab_ID				
Acetone	180		C00207		UMontana_Ammons_Lab_ID				
Adenine	190		C00147		UMontana_Ammons_Lab_ID				
Adenosine	60961		C00212		UMontana_Ammons_Lab_ID				
Alanine	5950		C00041		UMontana_Ammons_Lab_ID				
Allantoin	204		C01551		UMontana_Ammons_Lab_ID				
Alloisoleucine	99288				UMontana_Ammons_Lab_ID				
Anserine	112072		C01262		UMontana_Ammons_Lab_ID				
Arabinitol	827		C01904		UMontana_Ammons_Lab_ID				
Arginine	6322		C00062		UMontana_Ammons_Lab_ID				
Ascorbate	54670067		C00072		UMontana_Ammons_Lab_ID				
Aspartate	5960		C00049		UMontana_Ammons_Lab_ID				
Betaine	247		C00719		UMontana_Ammons_Lab_ID				
Butanone	6569		C02845		UMontana_Ammons_Lab_ID				
Butyrate	20975673		C00246		UMontana_Ammons_Lab_ID				
Choline	305		C00114		UMontana_Ammons_Lab_ID				
cis-Aconitate	643757		C00417		UMontana_Ammons_Lab_ID				
Citrate	311		C00158		UMontana_Ammons_Lab_ID				
Creatine	586		C00300		UMontana_Ammons_Lab_ID				
Creatine phosphate	587		C02305		UMontana_Ammons_Lab_ID				
Creatinine	588		C00791		UMontana_Ammons_Lab_ID				
Cysteine	594		C00097		UMontana_Ammons_Lab_ID				
Dimethyl sulfone	6213		C11142		UMontana_Ammons_Lab_ID				
Ethanol	702		C00469		UMontana_Ammons_Lab_ID				
Ethanolamine	700		C00189		UMontana_Ammons_Lab_ID				
Ethylene glycol	174		C01380		UMontana_Ammons_Lab_ID				
Ethylmalonate	70615				UMontana_Ammons_Lab_ID				
Formate	284		C00058		UMontana_Ammons_Lab_ID				
Fucose	19466		C01019		UMontana_Ammons_Lab_ID				
Galactarate					UMontana_Ammons_Lab_ID				
Galactose	6036		C00124		UMontana_Ammons_Lab_ID				
Glucarate	33037		C00818		UMontana_Ammons_Lab_ID				
Glucose	5793		C00031		UMontana_Ammons_Lab_ID				
Glutamate					UMontana_Ammons_Lab_ID				
Glutamine	5961		C00064		UMontana_Ammons_Lab_ID				
Glutarate	743		C00489		UMontana_Ammons_Lab_ID				
Glycerate	439194		C00258		UMontana_Ammons_Lab_ID				
Glycine	750		C00037		UMontana_Ammons_Lab_ID				
Glycolate	757		C00160		UMontana_Ammons_Lab_ID				
GTP	6830		C00044		UMontana_Ammons_Lab_ID				
Guanidoacetate	763		C00581		UMontana_Ammons_Lab_ID				
Homocysteine	778		C05330		UMontana_Ammons_Lab_ID				
Homoserine	12647		C00263		UMontana_Ammons_Lab_ID				
Hypoxanthine	790		C00262		UMontana_Ammons_Lab_ID				
Inosine	6021		C00294		UMontana_Ammons_Lab_ID				
Isobutyrate	6590		C02632		UMontana_Ammons_Lab_ID				
Isocaproate	12587				UMontana_Ammons_Lab_ID				
Isocitrate	1198		C00311		UMontana_Ammons_Lab_ID				
Isoleucine	6306		C00407		UMontana_Ammons_Lab_ID				
Isovalerate	10430		C08262		UMontana_Ammons_Lab_ID				
Lactate	107689		C00186		UMontana_Ammons_Lab_ID				
Leucine	6106		C00123		UMontana_Ammons_Lab_ID				
Lysine	5962		C00047		UMontana_Ammons_Lab_ID				
Malate	222656		C00149		UMontana_Ammons_Lab_ID				
Maleate	444266		C01384		UMontana_Ammons_Lab_ID				
Malonate	867		C00383		UMontana_Ammons_Lab_ID				
Methanol	887		C00132		UMontana_Ammons_Lab_ID				
Methionine	6137		C00073		UMontana_Ammons_Lab_ID				
Methylamine					UMontana_Ammons_Lab_ID				
Methylguanidine	10111		C02294		UMontana_Ammons_Lab_ID				
Methylmalonate	487		C02170		UMontana_Ammons_Lab_ID				
myo-inositol	892		C00137		UMontana_Ammons_Lab_ID				
N-acetylcysteine	12035		C06809		UMontana_Ammons_Lab_ID				
N-acetylglutamate	70914		C00624		UMontana_Ammons_Lab_ID				
N-acetylglutamine	25561				UMontana_Ammons_Lab_ID				
N-acetylglycine	10972				UMontana_Ammons_Lab_ID				
N-acetylornithine	439232		C00437		UMontana_Ammons_Lab_ID				
N,N-dimethylformamide	6228		C03134		UMontana_Ammons_Lab_ID				
O-acetylcarnitine	1		C02571		UMontana_Ammons_Lab_ID				
O-acetylcholine	187		C01996		UMontana_Ammons_Lab_ID				
O-phosphocholine	135437				UMontana_Ammons_Lab_ID				
O-phosphoethanolamine	1015		C00346		UMontana_Ammons_Lab_ID				
O-phosphoserine	68841		C01005		UMontana_Ammons_Lab_ID				
Oxypurinol	4644		C07599		UMontana_Ammons_Lab_ID				
Proline	145742		C00148		UMontana_Ammons_Lab_ID				
Propionate	1032		C00163		UMontana_Ammons_Lab_ID				
Protocatechuate	72		C00230		UMontana_Ammons_Lab_ID				
Pyridoxine	1054		C00314		UMontana_Ammons_Lab_ID				
Pyruvate	1060		C00022		UMontana_Ammons_Lab_ID				
Serine	5951		C00065		UMontana_Ammons_Lab_ID				
Succinate	1110		C00042		UMontana_Ammons_Lab_ID				
Succinylacetone	5312				UMontana_Ammons_Lab_ID				
Tartrate	444305		C00898		UMontana_Ammons_Lab_ID				
Taurine	1123		C00245		UMontana_Ammons_Lab_ID				
Threonine	6288		C00188		UMontana_Ammons_Lab_ID				
Threophylline					UMontana_Ammons_Lab_ID				
trans-4-hydroxy-L-proline	11137200		C04397		UMontana_Ammons_Lab_ID				
trans-aconitate	444212		C02341		UMontana_Ammons_Lab_ID				
Treonate					UMontana_Ammons_Lab_ID				
Trimethylamine N-oxide	1145		C01104		UMontana_Ammons_Lab_ID				
Tyramine	5610		C00483		UMontana_Ammons_Lab_ID				
Tyrosine	6057		C00082		UMontana_Ammons_Lab_ID				
Uridine	6029		C00299		UMontana_Ammons_Lab_ID				
Valerate	7991		C00803		UMontana_Ammons_Lab_ID				
Valine	6287		C00183		UMontana_Ammons_Lab_ID				
Valproate					UMontana_Ammons_Lab_ID				
Xanthosine	64959		C01762		UMontana_Ammons_Lab_ID				
Xylose	135191		C00181		UMontana_Ammons_Lab_ID				
METABOLITES_END
#END