#METABOLOMICS WORKBENCH Karin_20241202_022726 DATATRACK_ID:5417 STUDY_ID:ST003766 ANALYSIS_ID:AN006181 PROJECT_ID:PR002349
VERSION             	1
CREATED_ON             	March 3, 2025, 7:21 am
#PROJECT
PR:PROJECT_TITLE                 	Metabolomics of Ndufs4 KO liver
PR:PROJECT_TYPE                  	Multi-platform metabolomics analysis
PR:PROJECT_SUMMARY               	Mitochondrial diseases, including Leigh syndrome, frequently result from complex
PR:PROJECT_SUMMARY               	I (CI) deficiencies and lack effective treatments. Investigating metabolic
PR:PROJECT_SUMMARY               	alterations in affected tissues is essential to understanding disease
PR:PROJECT_SUMMARY               	progression and identifying therapeutic targets. The aim of this project was to
PR:PROJECT_SUMMARY               	characterize the metabolic profile of Ndufs4 knockout (KO) mouse livers, a model
PR:PROJECT_SUMMARY               	of CI deficiency, using multi-platform metabolomics. Whole-liver extracts from
PR:PROJECT_SUMMARY               	Ndufs4 KO and wild-type mice were analyzed via untargeted GC-TOFMS and
PR:PROJECT_SUMMARY               	semi-targeted LC-MS/MS. Metabolic profiling revealed widespread disruptions,
PR:PROJECT_SUMMARY               	including altered glucose, amino acid, and nucleotide metabolism, as well as TCA
PR:PROJECT_SUMMARY               	cycle intermediates. Key findings included elevated levels of UDP-glucose and
PR:PROJECT_SUMMARY               	UDP-N-acetylglucosamine, indicating shifts toward anabolic pathways such as
PR:PROJECT_SUMMARY               	hexosamine biosynthesis and glycogen synthesis. These data highlight the
PR:PROJECT_SUMMARY               	potential role of metabolic reprogramming in liver adaptation to mitochondrial
PR:PROJECT_SUMMARY               	dysfunction and provide new directions for investigating interorgan metabolic
PR:PROJECT_SUMMARY               	dynamics in mitochondrial diseases.
PR:INSTITUTE                     	North-West University
PR:DEPARTMENT                    	Biochemistry
PR:LABORATORY                    	Mitochondria Research Group
PR:LAST_NAME                     	Louw
PR:FIRST_NAME                    	Roan
PR:ADDRESS                       	Hoffman Street, Potchefstroom, North-West, 2520, South Africa
PR:EMAIL                         	Roan.Louw@nwu.ac.za
PR:PHONE                         	+27 18 299 4074
#STUDY
ST:STUDY_TITLE                   	Hepatic bioenergetics and metabolism in mitochondrial disease: Insights from the
ST:STUDY_TITLE                   	Ndufs4 KO mouse model
ST:STUDY_TYPE                    	Multi-platform metabolomics analysis
ST:STUDY_SUMMARY                 	Mitochondrial diseases, including Leigh syndrome, frequently result from complex
ST:STUDY_SUMMARY                 	I (CI) deficiencies and lack effective treatments. Investigating metabolic
ST:STUDY_SUMMARY                 	alterations in affected tissues is essential to understanding disease
ST:STUDY_SUMMARY                 	progression and identifying therapeutic targets. The aim of this project was to
ST:STUDY_SUMMARY                 	characterize the metabolic profile of Ndufs4 knockout (KO) mouse livers, a model
ST:STUDY_SUMMARY                 	of CI deficiency, using multi-platform metabolomics. Whole-liver extracts from
ST:STUDY_SUMMARY                 	Ndufs4 KO and wild-type mice were analyzed via untargeted GC-TOFMS and
ST:STUDY_SUMMARY                 	semi-targeted LC-MS/MS. Metabolic profiling revealed widespread disruptions,
ST:STUDY_SUMMARY                 	including altered glucose, amino acid, and nucleotide metabolism, as well as TCA
ST:STUDY_SUMMARY                 	cycle intermediates. Key findings included elevated levels of UDP-glucose and
ST:STUDY_SUMMARY                 	UDP-N-acetylglucosamine, indicating shifts toward anabolic pathways such as
ST:STUDY_SUMMARY                 	hexosamine biosynthesis and glycogen synthesis. These data highlight the
ST:STUDY_SUMMARY                 	potential role of metabolic reprogramming in liver adaptation to mitochondrial
ST:STUDY_SUMMARY                 	dysfunction and provide new directions for investigating interorgan metabolic
ST:STUDY_SUMMARY                 	dynamics in mitochondrial diseases.
ST:INSTITUTE                     	North-West University
ST:DEPARTMENT                    	Biochemistry
ST:LABORATORY                    	Mitochondria Research Group
ST:LAST_NAME                     	Louw
ST:FIRST_NAME                    	Roan
ST:ADDRESS                       	Hoffman Street, Potchefstroom, North-West, 2520, South Africa
ST:EMAIL                         	Roan.Louw@nwu.ac.za
ST:PHONE                         	+27 18 299 4074
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
SU:GENOTYPE_STRAIN               	Ndufs4, https://www.jax.org/strain/027058
SU:GENDER                        	Male
SU:ANIMAL_ANIMAL_SUPPLIER        	Jackson Laboratory (ME, USA)
SU:ANIMAL_LIGHT_CYCLE            	12:12 h
SU:ANIMAL_FEED                   	Rodent Breeder, Cat. #RM1845, LabChef, Nutritionhub
SU:ANIMAL_WATER                  	ad libitum
#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           	-	2L	Genotype:WT | Sample source:Mouse liver	RAW_FILE_NAME(LC file name)=2.d; RAW_FILE_NAME(GCTOF file name)=2.L_1.SMP
SUBJECT_SAMPLE_FACTORS           	-	3L	Genotype:WT | Sample source:Mouse liver	RAW_FILE_NAME(LC file name)=3.d; RAW_FILE_NAME(GCTOF file name)=3.L_1.SMP
SUBJECT_SAMPLE_FACTORS           	-	7L	Genotype:WT | Sample source:Mouse liver	RAW_FILE_NAME(LC file name)=7.d; RAW_FILE_NAME(GCTOF file name)=7.L_1.SMP
SUBJECT_SAMPLE_FACTORS           	-	8L	Genotype:WT | Sample source:Mouse liver	RAW_FILE_NAME(LC file name)=8.d; RAW_FILE_NAME(GCTOF file name)=8.L_1.SMP
SUBJECT_SAMPLE_FACTORS           	-	9L	Genotype:WT | Sample source:Mouse liver	RAW_FILE_NAME(LC file name)=9.d; RAW_FILE_NAME(GCTOF file name)=9.L_1.SMP
SUBJECT_SAMPLE_FACTORS           	-	10L	Genotype:WT | Sample source:Mouse liver	RAW_FILE_NAME(LC file name)=10.d; RAW_FILE_NAME(GCTOF file name)=10.L_1.SMP
SUBJECT_SAMPLE_FACTORS           	-	11L	Genotype:WT | Sample source:Mouse liver	RAW_FILE_NAME(LC file name)=11.d; RAW_FILE_NAME(GCTOF file name)=11.L_1.SMP
SUBJECT_SAMPLE_FACTORS           	-	13L	Genotype:WT | Sample source:Mouse liver	RAW_FILE_NAME(LC file name)=13.d; RAW_FILE_NAME(GCTOF file name)=13.L_1.SMP
SUBJECT_SAMPLE_FACTORS           	-	17L	Genotype:WT | Sample source:Mouse liver	RAW_FILE_NAME(LC file name)=17.d; RAW_FILE_NAME(GCTOF file name)=17.L_1.SMP
SUBJECT_SAMPLE_FACTORS           	-	18L	Genotype:WT | Sample source:Mouse liver	RAW_FILE_NAME(LC file name)=18.d; RAW_FILE_NAME(GCTOF file name)=18.L_1.SMP
SUBJECT_SAMPLE_FACTORS           	-	20L	Genotype:WT | Sample source:Mouse liver	RAW_FILE_NAME(LC file name)=20.d; RAW_FILE_NAME(GCTOF file name)=20.L_1.SMP
SUBJECT_SAMPLE_FACTORS           	-	24L	Genotype:WT | Sample source:Mouse liver	RAW_FILE_NAME(LC file name)=24.d; RAW_FILE_NAME(GCTOF file name)=24.L_1.SMP
SUBJECT_SAMPLE_FACTORS           	-	25L	Genotype:WT | Sample source:Mouse liver	RAW_FILE_NAME(LC file name)=25.d; RAW_FILE_NAME(GCTOF file name)=25.L_1.SMP
SUBJECT_SAMPLE_FACTORS           	-	26L	Genotype:WT | Sample source:Mouse liver	RAW_FILE_NAME(LC file name)=26.d; RAW_FILE_NAME(GCTOF file name)=26.L_1.SMP
SUBJECT_SAMPLE_FACTORS           	-	28L	Genotype:WT | Sample source:Mouse liver	RAW_FILE_NAME(LC file name)=28.d; RAW_FILE_NAME(GCTOF file name)=28.L_1.SMP
SUBJECT_SAMPLE_FACTORS           	-	29L	Genotype:WT | Sample source:Mouse liver	RAW_FILE_NAME(LC file name)=29.d; RAW_FILE_NAME(GCTOF file name)=29.L_1.SMP
SUBJECT_SAMPLE_FACTORS           	-	32L	Genotype:WT | Sample source:Mouse liver	RAW_FILE_NAME(LC file name)=32.d; RAW_FILE_NAME(GCTOF file name)=32.L_1.SMP
SUBJECT_SAMPLE_FACTORS           	-	36L	Genotype:WT | Sample source:Mouse liver	RAW_FILE_NAME(LC file name)=36.d; RAW_FILE_NAME(GCTOF file name)=36.L_1.SMP
SUBJECT_SAMPLE_FACTORS           	-	37L	Genotype:WT | Sample source:Mouse liver	RAW_FILE_NAME(LC file name)=37.d; RAW_FILE_NAME(GCTOF file name)=37.L_1.SMP
SUBJECT_SAMPLE_FACTORS           	-	38L	Genotype:WT | Sample source:Mouse liver	RAW_FILE_NAME(LC file name)=38.d; RAW_FILE_NAME(GCTOF file name)=38.L_1.SMP
SUBJECT_SAMPLE_FACTORS           	-	1L	Genotype:KO | Sample source:Mouse liver	RAW_FILE_NAME(LC file name)=1.d; RAW_FILE_NAME(GCTOF file name)=1.L_1.SMP
SUBJECT_SAMPLE_FACTORS           	-	4L	Genotype:KO | Sample source:Mouse liver	RAW_FILE_NAME(LC file name)=4.d; RAW_FILE_NAME(GCTOF file name)=4.L_1.SMP
SUBJECT_SAMPLE_FACTORS           	-	5L	Genotype:KO | Sample source:Mouse liver	RAW_FILE_NAME(LC file name)=5.d; RAW_FILE_NAME(GCTOF file name)=5.L_1.SMP
SUBJECT_SAMPLE_FACTORS           	-	6L	Genotype:KO | Sample source:Mouse liver	RAW_FILE_NAME(LC file name)=6.d; RAW_FILE_NAME(GCTOF file name)=6.L_1.SMP
SUBJECT_SAMPLE_FACTORS           	-	12L	Genotype:KO | Sample source:Mouse liver	RAW_FILE_NAME(LC file name)=12.d; RAW_FILE_NAME(GCTOF file name)=12.L_1.SMP
SUBJECT_SAMPLE_FACTORS           	-	14L	Genotype:KO | Sample source:Mouse liver	RAW_FILE_NAME(LC file name)=14.d; RAW_FILE_NAME(GCTOF file name)=14.L_1.SMP
SUBJECT_SAMPLE_FACTORS           	-	15L	Genotype:KO | Sample source:Mouse liver	RAW_FILE_NAME(LC file name)=15.d; RAW_FILE_NAME(GCTOF file name)=15.L_1.SMP
SUBJECT_SAMPLE_FACTORS           	-	16L	Genotype:KO | Sample source:Mouse liver	RAW_FILE_NAME(LC file name)=16.d; RAW_FILE_NAME(GCTOF file name)=16.L_1.SMP
SUBJECT_SAMPLE_FACTORS           	-	19L	Genotype:KO | Sample source:Mouse liver	RAW_FILE_NAME(LC file name)=19.d; RAW_FILE_NAME(GCTOF file name)=19.L_1.SMP
SUBJECT_SAMPLE_FACTORS           	-	21L	Genotype:KO | Sample source:Mouse liver	RAW_FILE_NAME(LC file name)=21.d; RAW_FILE_NAME(GCTOF file name)=21.L_1.SMP
SUBJECT_SAMPLE_FACTORS           	-	22L	Genotype:KO | Sample source:Mouse liver	RAW_FILE_NAME(LC file name)=22.d; RAW_FILE_NAME(GCTOF file name)=22.L_1.SMP
SUBJECT_SAMPLE_FACTORS           	-	23L	Genotype:KO | Sample source:Mouse liver	RAW_FILE_NAME(LC file name)=23.d; RAW_FILE_NAME(GCTOF file name)=23.L_1.SMP
SUBJECT_SAMPLE_FACTORS           	-	27L	Genotype:KO | Sample source:Mouse liver	RAW_FILE_NAME(LC file name)=27.d; RAW_FILE_NAME(GCTOF file name)=27.L_1.SMP
SUBJECT_SAMPLE_FACTORS           	-	31L	Genotype:KO | Sample source:Mouse liver	RAW_FILE_NAME(LC file name)=31.d; RAW_FILE_NAME(GCTOF file name)=31.L_1.SMP
SUBJECT_SAMPLE_FACTORS           	-	33L	Genotype:KO | Sample source:Mouse liver	RAW_FILE_NAME(LC file name)=33.d; RAW_FILE_NAME(GCTOF file name)=33.L_1.SMP
SUBJECT_SAMPLE_FACTORS           	-	34L	Genotype:KO | Sample source:Mouse liver	RAW_FILE_NAME(LC file name)=34.d; RAW_FILE_NAME(GCTOF file name)=34.L_1.SMP
SUBJECT_SAMPLE_FACTORS           	-	35L	Genotype:KO | Sample source:Mouse liver	RAW_FILE_NAME(LC file name)=35.d; RAW_FILE_NAME(GCTOF file name)=35.L_1.SMP
SUBJECT_SAMPLE_FACTORS           	-	39L	Genotype:KO | Sample source:Mouse liver	RAW_FILE_NAME(LC file name)=39.d; RAW_FILE_NAME(GCTOF file name)=39.L_1.SMP
SUBJECT_SAMPLE_FACTORS           	-	40L	Genotype:KO | Sample source:Mouse liver	RAW_FILE_NAME(LC file name)=40.d; RAW_FILE_NAME(GCTOF file name)=40.L_1.SMP
#COLLECTION
CO:COLLECTION_SUMMARY            	Mice were euthanized between postnatal day (P) 45-50 via cervical dislocation at
CO:COLLECTION_SUMMARY            	the same time of day (8:00-9:00 AM) after overnight (12-h) fasting. The liver
CO:COLLECTION_SUMMARY            	was removed, snap-frozen in liquid nitrogen, and stored at −80°C until used.
CO:SAMPLE_TYPE                   	Liver
CO:STORAGE_CONDITIONS            	-80℃
#TREATMENT
TR:TREATMENT_SUMMARY             	The animals did not receive any treatment.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Metabolite extraction was achieved using a modified monophasic Bligh–Dyer
SP:SAMPLEPREP_SUMMARY            	extraction method with a solvent ratio of 3:1:1 (methanol:water:chloroform). The
SP:SAMPLEPREP_SUMMARY            	water used during extraction contained internal standards.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	ZORBAX RRHT StableBond Aq Column (Part Number:828700-914)
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Agilent 1260 infinity
CH:COLUMN_NAME                   	Agilent ZORBAX RRHT StableBond (100 mm x 2.1 mm x 1.8 μm) Aq Column
CH:SOLVENT_A                     	100% water; 0.1 % formic acid
CH:SOLVENT_B                     	100% acetonitrile; 0.1 % formic acid
CH:FLOW_GRADIENT                 	95 % of solvent A held for 0.2 min, increased to 25 % of solvent B over 1.8 min,
CH:FLOW_GRADIENT                 	held for 5 min, increased to 90 % of solvent B over 0.5 min, held for 1.6 min,
CH:FLOW_GRADIENT                 	increased to 95 % of solvent B over 2.9 min, decreased to 5 % of solvent B over
CH:FLOW_GRADIENT                 	1 min, and re-equilibrated for 3 min to give a total run time of 16 min.
CH:FLOW_RATE                     	For the first 9 min of the run, the mobile phase flow rate was set at 0.3
CH:FLOW_RATE                     	mL/min, after which it was increased to 0.4 mL/min in a span of 0.1 min and
CH:FLOW_RATE                     	maintained at this level for the subsequent 3.9 min of the run
CH:COLUMN_TEMPERATURE            	45
CH:SAMPLE_INJECTION              	One microliter of each sample was injected
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Agilent 6470
MS:INSTRUMENT_TYPE               	Triple quadrupole
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	Amino acid and acylcarnitine species were analyzed by dynamic multiple reaction
MS:MS_COMMENTS                   	monitoring of the transition from precursor to product ions at associated
MS:MS_COMMENTS                   	optimized collision energies, and fragmentor voltages using Agilent Masshunter.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	normalised peak areas
MS_METABOLITE_DATA_START
Samples	2L	3L	7L	8L	9L	10L	11L	13L	17L	18L	20L	24L	25L	26L	28L	29L	32L	36L	37L	38L	1L	4L	5L	6L	12L	14L	15L	16L	19L	21L	22L	23L	27L	31L	33L	34L	35L	39L	40L
Factors	Genotype:WT | Sample source:Mouse liver	Genotype:WT | Sample source:Mouse liver	Genotype:WT | Sample source:Mouse liver	Genotype:WT | Sample source:Mouse liver	Genotype:WT | Sample source:Mouse liver	Genotype:WT | Sample source:Mouse liver	Genotype:WT | Sample source:Mouse liver	Genotype:WT | Sample source:Mouse liver	Genotype:WT | Sample source:Mouse liver	Genotype:WT | Sample source:Mouse liver	Genotype:WT | Sample source:Mouse liver	Genotype:WT | Sample source:Mouse liver	Genotype:WT | Sample source:Mouse liver	Genotype:WT | Sample source:Mouse liver	Genotype:WT | Sample source:Mouse liver	Genotype:WT | Sample source:Mouse liver	Genotype:WT | Sample source:Mouse liver	Genotype:WT | Sample source:Mouse liver	Genotype:WT | Sample source:Mouse liver	Genotype:WT | Sample source:Mouse liver	Genotype:KO | Sample source:Mouse liver	Genotype:KO | Sample source:Mouse liver	Genotype:KO | Sample source:Mouse liver	Genotype:KO | Sample source:Mouse liver	Genotype:KO | Sample source:Mouse liver	Genotype:KO | Sample source:Mouse liver	Genotype:KO | Sample source:Mouse liver	Genotype:KO | Sample source:Mouse liver	Genotype:KO | Sample source:Mouse liver	Genotype:KO | Sample source:Mouse liver	Genotype:KO | Sample source:Mouse liver	Genotype:KO | Sample source:Mouse liver	Genotype:KO | Sample source:Mouse liver	Genotype:KO | Sample source:Mouse liver	Genotype:KO | Sample source:Mouse liver	Genotype:KO | Sample source:Mouse liver	Genotype:KO | Sample source:Mouse liver	Genotype:KO | Sample source:Mouse liver	Genotype:KO | Sample source:Mouse liver
Ornithine	0.036495332	0.030631048	0.030207602	0.034429565	0.044356679	0.04428836	0.040394646	0.100386903	0.02071203	0.029549972	0.064338257	0.048191137	0.034780752	0.074933178	0.034455757	0.04586336	0.023961821	0.047043963	0.044008547	0.039612704	0.052292303	0.040639404	0.040985794	0.093059991	0.033339168	0.036258634	0.051659248	0.03831548	0.05125409	0.018193429	0.030707762	0.104946771	0.077494901	0.104691821	0.089183896	0.046924183	0.033093474	0.083382485	0.102209151
Histidine	0.034117262	0.025415096	0.022627857	0.031077619	0.024862672	0.032092562	0.033109425	0.029187029	0.025499117	0.021603471	0.025158124	0.031655491	0.02723997	0.025928514	0.025754452	0.02700507	0.033523581	0.027973383	0.023752224	0.029045695	0.039040426	0.040176158	0.041807921	0.037255789	0.035012998	0.032877427	0.029400497	0.038523914	0.042339923	0.050524506	0.035678681	0.029150922	0.031915202	0.031986828	0.036703137	0.037149722	0.031417692	0.036394655	0.028916343
Lysine	0.824003014	0.828048107	0.740141345	1.175285427	0.795123512	0.836711365	1.157824199	1.5377768	0.774113103	0.827928171	0.806562542	0.82586222	0.776731952	1.185269381	0.977739277	0.909408275	0.818233174	0.702307223	0.709257687	0.987020232	1.249583387	0.92442667	1.374613733	2.180825692	0.886036225	0.988190416	0.953099889	1.121078092	1.819723103	2.42058E-05	0.844888213	1.620774271	2.019771764	1.470714718	2.202178437	1.0831355	0.944928328	2.276442629	2.099880031
1-Methylhistidine	0.001062035	0.001571939	0.000942504	0.001460943	0.001288189	0.000543116	0.001161212	0.001261948	0.000793054	0.001090816	0.001010882	0.001028771	0.001290697	0.001651552	0.001203404	0.001085657	0.00091155	0.001317735	0.00129663	0.00132647	0.001576504	0.000936462	0.000896375	0.000866432	0.001152168	0.000867416	0.000921855	0.000628445	0.000814448	0.000714247	0.000859649	0.001570898	0.000928541	0.000815503	0.000759585	0.000887777	0.000675541	0.000818451	0.00053735
L-Arginine	0.014985265	0.040207472	0.006940133	0.012500665	0.013149087	0.013560023	0.014125563	0.032981875	0.009621045	0.013257194	0.020021775	0.011012492	0.009489073	0.011136213	0.020395844	0.007708868	0.00629346	0.009226366	0.021092062	0.014394849	0.007709747	0.012174771	0.010698509	0.013890392	0.018362958	0.025170563	0.011928123	0.010375421	0.016252297	0.008374462	0.010682189	0.014014847	0.00971374	0.012596622	0.017929903	0.020902015	0.011370237	0.017105031	0.018211345
L-Asparagine	0.009786345	0.007230294	0.007578753	0.006662405	0.007894447	0.009245923	0.007644572	0.008926473	0.007850792	0.006572529	0.00770539	0.009999011	0.009458174	0.007736373	0.010879885	0.009858408	0.0100781	0.006732075	0.007425372	0.008557449	0.019027208	0.010205247	0.011474921	0.007664214	0.007369296	0.016321728	0.010646209	0.012666689	0.011976039	0.006774654	0.009660825	0.010386919	0.010285221	0.009653358	0.012337204	0.017788558	0.012358574	0.014586308	0.014923149
Glycine	0.157489602	0.118730466	0.147539848	0.117919338	0.119295176	0.15410301	0.186757156	0.130927942	0.158223472	0.203930096	0.128705944	0.158405105	0.155206407	0.1331184	0.171014681	0.145487876	0.149457963	0.142031238	0.162722291	0.171565963	0.238852276	0.147541962	0.155940175	0.128957169	0.158615089	0.195121427	0.179523928	0.165166286	0.185164201	0.170301502	0.173617919	0.186193851	0.196409223	0.135874233	0.153563181	0.194028142	0.15226032	0.11951897	0.146933668
Serine	0.431154306	0.396261746	0.385726919	0.417015034	0.444277017	0.42924525	0.365168035	0.413870184	0.412550818	0.43372121	0.408593135	0.446185931	0.442086298	0.444149182	0.428707888	0.412833702	0.442403971	0.424262415	0.410025837	0.374077248	0.589955961	0.448828842	0.441555598	0.446567168	0.379695453	0.42640937	0.412812754	0.527441631	0.431690103	0.468488723	0.42705065	0.46726836	0.447894169	0.450620158	0.431544139	0.464969323	0.418618636	0.455360248	0.490228361
Sarcosine	0.01497724	0.017100465	0.012667572	0.015087537	0.022265137	0.010510469	0.016335269	0.045472599	0.013295973	0.010350132	0.038324034	0.023448879	0.017240674	0.035568802	0.015122371	0.018753358	0.179263905	0.016643585	0.027918587	0.022615627	0.292690221	0.024035041	0.018672885	0.037515857	0.264853714	0.018703373	0.03163721	0.147371354	0.008273934	0.012244609	0.122547417	0.018545739	0.011406811	0.024477112	0.026680536	0.01327837	0.011002238	0.021959881	0.014625597
Glutamine	0.271586979	0.143118231	0.144912583	0.102077256	0.13007984	0.174406272	0.14651473	0.152500012	0.258887885	0.184322747	0.141727892	0.214925532	0.204561946	0.118797811	0.200105654	0.139884765	0.336002523	0.132315547	0.1498256	0.158316007	0.106087556	0.154877432	0.130180967	0.091888225	0.156718147	0.208839902	0.130886773	0.125765576	0.158160969	0.286976373	0.183642028	0.114913001	0.135262397	0.157244502	0.132053151	0.289241804	0.262245425	0.110456367	0.149366231
beta-Alanine	0.021172274	0.016285434	0.0182812	0.02606106	0.01565463	0.026309539	0.018820045	0.033752461	0.022631875	0.026545729	0.023395381	0.017771368	0.017190692	0.026894695	0.018207048	0.034069367	0.014512561	0.013385819	0.017095733	0.02482251	0.042236339	0.028066256	0.026217438	0.024992713	0.023488087	0.019445792	0.027533816	0.020187512	0.024943933	0.017825167	0.016535465	0.033267842	0.058580032	0.035734877	0.041168953	0.032549313	0.016645826	0.028274219	0.023718212
L-Threonine	0.078633204	0.069517155	0.062556303	0.062211205	0.079980823	0.095066236	0.068282163	0.077309903	0.06259956	0.074759585	0.071485387	0.083143708	0.070915916	0.080910829	0.080285164	0.074581922	0.066810068	0.070092968	0.066996962	0.067652225	0.165836334	0.07795595	0.084911327	0.069183469	0.058206986	0.082062278	0.066851169	0.084803512	0.099015268	0.06735185	0.086010298	0.133905972	0.144131107	0.075994472	0.111606704	0.08805619	0.072377276	0.124998551	0.179788461
Dimethylglycine	0.003101808	0.002511803	0.004682214	0.005292153	0.005411283	0.003648635	0.003275754	0.009648078	0.003189095	0.004271577	0.008054051	0.004028366	0.004408319	0.005897599	0.003914691	0.005627395	0.002086016	0.003190935	0.004389289	0.006173326	0.005568465	0.003813242	0.00180556	0.007347327	0.002166305	0.002966806	0.005336334	0.001772918	0.004736989	0.002719789	0.002680883	0.003927984	0.004173871	0.005135955	0.005253606	0.00261309	0.003868069	0.005619563	0.00498214
4-Hydroxyproline	0.002614232	0.001717873	0.00238202	0.00322282	0.003321665	0.001379712	0.001734121	0.003229542	0.00219006	0.003294164	0.002704687	0.002272895	0.002397469	0.004108152	0.003617519	0.003597437	0.002565449	0.003144015	0.002212751	0.002911159	0.003747119	0.001642595	0.001355483	0.001660609	0.002193558	0.001985583	0.002832005	0.000772818	0.000580369	0.00128549	0.001169877	0.001868377	0.001782254	0.002583789	0.001848892	0.001394462	0.003173382	0.001253901	0.00064125
L-Alanine	0.248452785	0.23064233	0.209882435	0.22575269	0.190028686	0.197685756	0.261846119	0.333733988	0.217053134	0.246175928	0.23421981	0.19051983	0.194925954	0.315557006	0.193725103	0.342865805	0.243190622	0.288484567	0.193584376	0.330704261	0.413675431	0.308103159	0.204043165	0.304770395	0.357975385	0.258927359	0.419382669	0.214544016	0.178097239	0.218011403	0.162615969	0.219267883	0.257161008	0.392276745	0.373662648	0.305786069	0.204893634	0.232460338	0.169339304
Citrulline	0.012113185	0.011432295	0.00915104	0.011379925	0.011813921	0.026282547	0.01110956	0.025301488	0.010648581	0.011402847	0.013882129	0.011283264	0.008029009	0.01510534	0.013295663	0.010346718	0.006553141	0.013267438	0.016574473	0.012526835	0.018622904	0.010758136	0.020098638	0.01933413	0.013709521	0.011256756	0.009774662	0.014494942	0.018336449	0.009594876	0.01353501	0.03844691	0.047992791	0.02668956	0.042460289	0.019736267	0.009180566	0.035038087	0.206429629
Betaine	1.042849609	1.10146884	0.871866072	2.720172813	1.494301866	0.958483737	1.078856406	1.859139718	0.402302434	0.964850974	1.465107512	1.489503856	1.338215986	1.597312571	1.989289473	1.003875274	1.471382833	1.14396601	0.961462892	1.025327955	1.041623593	1.338812192	1.05410877	2.448951422	0.637695975	1.292705966	1.457317376	1.483991033	3.324627097	1.90490072	1.172785406	1.549944468	1.831647739	1.99235397	2.218212748	0.574598216	1.474055139	2.279450748	1.837497662
L-Carnitine	0.871102109	0.799849169	0.827233579	0.892729825	0.929883767	0.902679178	0.867790253	0.876617654	0.786004247	0.860018453	0.937029481	1.032367626	0.905742337	0.911852787	0.926202441	0.848484487	0.862405787	1.074959375	0.976269495	0.795038783	0.896633356	0.905769587	0.789095114	0.755540639	0.814265662	0.703867096	0.754748391	0.865469714	0.814567092	0.972323222	0.840675501	1.071412075	0.910301305	1.08842012	0.867676064	0.768124032	0.860876469	0.913667478	0.836844904
gamma-Aminobutyric acid	0.013444603	0.004621714	0.01117152	0.004743677	0.007980342	0.009067994	0.006457436	0.023535517	0.019664054	0.009549304	0.019008264	0.014570282	0.019352042	0.014111983	0.012689159	0.012790848	0.009244129	0.005584809	0.015809179	0.010453116	0.01939833	0.011315048	0.010646705	0.014544095	0.008752634	0.021107234	0.019904632	0.01411587	0.012198788	0.016232059	0.012503224	0.005924103	0.010462661	0.020138984	0.012940108	0.027311128	0.013973537	0.008618658	0.014980058
Creatine	0.141121408	0.49585993	0.100592743	0.125939576	0.102244009	0.178079705	0.17534521	0.215979756	0.076367168	0.115996914	0.172902257	0.082290728	0.152928235	0.23417801	0.203486503	0.126857132	0.167622468	0.200993326	0.173866271	0.162691423	0.27405042	0.147793176	0.200560256	0.239795302	0.238477271	0.340707244	0.138869229	0.196653028	0.198838172	0.234209842	0.233997776	0.330044835	0.185762808	0.120561318	0.268185301	0.556017253	0.11631559	0.261148593	0.385449557
Proline	0.095993973	0.064442193	0.07131804	0.072881833	0.079381522	0.061120939	0.082078028	0.162899135	0.07927455	0.069641656	0.109364901	0.09302768	0.070634987	0.125694189	0.074611452	0.096324187	0.071497056	0.091709799	0.07852893	0.099752204	0.119889075	0.103529973	0.09051897	0.118525791	0.080929862	0.08683853	0.125617716	0.06908834	0.066780248	0.054696824	0.072138937	0.093865608	0.097864818	0.120069978	0.097279128	0.083527375	0.077127336	0.089275524	0.091311146
3-Aminoisobutanoic acid	0.015712515	0.009560071	0.014655365	0.019938742	0.011876864	0.014743126	0.014244404	0.025081342	0.014226854	0.016811553	0.014612397	0.013692158	0.014762025	0.019253698	0.013703234	0.031984358	0.007885606	0.008962438	0.012119897	0.025032457	0.01864551	0.019526104	0.014996867	0.026632573	0.016600502	0.010792374	0.022730808	0.020112764	0.028523022	0.008440177	0.013090859	0.025573401	0.036090451	0.042975302	0.030996417	0.012274192	0.013147296	0.020948413	0.023559114
Pipecolic acid	0.029103943	0.038325558	0.027889369	0.063501715	0.051733138	0.037660128	0.038609377	0.064685382	0.032020138	0.028594164	0.043516245	0.039529128	0.043860953	0.063690475	0.037463747	0.039276553	0.025982061	0.042147382	0.050525169	0.034321461	0.067461397	0.065450609	0.042181104	0.063188661	0.076055719	0.042245968	0.048132437	0.056060438	0.104568663	0.040434189	0.039647837	0.120439071	0.056456136	0.041340899	0.053964151	0.043309974	0.035113597	0.069620579	0.044529538
L-Cystathionine	0.001607873	0.002517602	0.00125386	0.002889514	0.003695522	0.001262358	0.002914062	0.006580301	0.00093717	0.001054187	0.003777808	0.002766468	0.001845647	0.006816312	0.002403685	0.002977623	0.000710898	0.004280293	0.00278896	0.002999378	0.002630677	0.002571261	0.002075892	0.008731494	0.00209587	0.003594039	0.00355694	0.002421778	0.001775478	0.001023094	0.000866717	0.003536739	0.003469135	0.005347454	0.004933502	0.003238731	0.001344266	0.00345995	0.002378625
L-Valine	0.15907598	0.165283237	0.141329085	0.176435785	0.176603944	0.186859253	0.189649826	0.208573066	0.179208124	0.167812681	0.171443732	0.198109507	0.170818385	0.212273263	0.183627397	0.14280191	0.18167369	0.161741131	0.171640837	0.156647234	0.264284146	0.151300204	0.273605087	0.146037093	0.11780565	0.197574647	0.173638957	0.17703978	0.242285759	0.180566835	0.226497177	0.341592358	0.375563736	0.142475735	0.317842617	0.253048531	0.209318777	0.296376926	0.517139199
L-Acetylcarnitine	0.009171528	0.042691757	0.01211547	0.06682314	0.061245567	0.013402047	0.021765153	0.049455593	0.01267856	0.015497878	0.045145736	0.030941123	0.030262734	0.073973262	0.044691827	0.007544937	0.02779236	0.068013138	0.044304824	0.015793669	0.008829116	0.018761489	0.017948322	0.114393356	0.027572001	0.015291001	0.014673342	0.008291923	0.021639018	0.057466055	0.044511634	0.035917267	0.031002745	0.031029266	0.024446588	0.039301413	0.01322046	0.035382475	0.022399464
L-Tyrosine	0.0352536	0.029036116	0.032196664	0.025949012	0.032730806	0.034132331	0.034148907	0.041316105	0.039883506	0.033398282	0.031378009	0.036692162	0.035478326	0.037871861	0.036512919	0.038888909	0.037216177	0.030246699	0.031740255	0.039189995	0.090226812	0.049927566	0.057071672	0.034658422	0.039428311	0.053968744	0.057704312	0.046824349	0.051861753	0.033194441	0.044222429	0.054483934	0.057256194	0.04430612	0.073988839	0.066062299	0.04890443	0.059853919	0.058071606
Methionine	0.064001075	0.051604042	0.056187466	0.049105842	0.055478838	0.061487985	0.056605854	0.068048701	0.063064977	0.059236695	0.062275329	0.06596057	0.071823297	0.065631065	0.078346298	0.070172683	0.062363051	0.049722378	0.053259021	0.059411459	0.172237118	0.06800994	0.062151125	0.051624309	0.054774685	0.097771464	0.064255832	0.064636	0.077423711	0.043069479	0.059974142	0.092092767	0.096252024	0.066043538	0.083989065	0.108895299	0.083062795	0.10204252	0.101807438
Isoleucine	0.326186382	0.316725547	0.311628951	0.314497506	0.320948282	0.336858218	0.334546601	0.31993933	0.315308935	0.362675565	0.319540021	0.356910475	0.330857058	0.340919113	0.339298826	0.339600075	0.367354317	0.364204213	0.345003215	0.334816762	0.310486204	0.317399009	0.3227968	0.301866086	0.336720603	0.313420418	0.321758691	0.321468292	0.346992845	0.372520541	0.354689795	0.388772835	0.364830708	0.369810431	0.388250214	0.370405089	0.366407555	0.362023692	0.392527455
Leucine	15.36303217	14.71649817	14.60015077	14.64509562	15.02450516	15.82321392	15.62535453	15.13762911	14.63022255	16.73352055	14.9819271	16.64761594	15.41948876	15.90244626	15.79710121	15.76818244	17.01196444	16.86519488	16.03112203	15.51380756	16.03887453	15.10234694	15.28925296	14.16436416	15.62056117	14.8692145	15.05272436	15.03310256	16.28261595	17.29248333	16.56558243	18.34694846	17.37478156	17.26044534	18.20752868	17.4866686	17.09770279	17.1228819	18.89133826
Propionylcarnitine	0.002232154	0.002519677	0.001766512	0.002532923	0.003399069	0.001302593	0.002798764	0.003555363	0.002335173	0.001769781	0.003504662	0.002691337	0.001666066	0.006145394	0.001431688	0.001679446	0.001233933	0.00346295	0.003607063	0.002283062	0.002838219	0.002422027	0.001558743	0.006250514	0.002125271	0.000580526	0.001857773	0.001929063	0.001333617	0.004791675	0.001957908	0.003283149	0.004114125	0.004619926	0.002660008	0.001009444	0.000737449	0.002689242	0.002696179
Pyroglutamic acid	0.256993756	0.129007496	0.146573507	0.100230077	0.129212654	0.163465736	0.132119951	0.16904781	0.309813566	0.160209984	0.160894125	0.220940772	0.241763208	0.134502891	0.201741754	0.153228903	0.332920375	0.127345861	0.17067809	0.197397901	0.115504643	0.161830031	0.138947928	0.115916783	0.13474435	0.285195187	0.175803908	0.230116576	0.157764849	0.270728144	0.178402945	0.085342507	0.140014145	0.148619393	0.118396813	0.380773628	0.32124555	0.106694452	0.143886405
Kynurenine	0.001471617	0.001642078	0.000697403	0.000990963	0.001455825	0.001618911	0.001581283	0.002530217	0.001111999	0.00084311	0.001814681	0.003114882	0.002332067	0.002258403	0.002540802	0.001512722	0.000532412	0.000913109	0.001349636	0.001166319	0.001380398	0.000521271	0.001006085	0.000977184	0.000723442	0.000568801	0.000629892	0.000191852	0.001303377	0.000265793	0.000764923	0.001425111	0.001220964	0.000954036	0.001055592	0.000662649	0.000538084	0.001195063	0.001091815
Phenylalanine	0.108324999	0.079970384	0.087274404	0.072796046	0.08393943	0.094717987	0.091422397	0.118065799	0.094181872	0.088272399	0.094472813	0.109151393	0.099609959	0.095168591	0.106656931	0.108678729	0.102319569	0.067538711	0.088236228	0.095270823	0.224004299	0.12346141	0.137033593	0.093818787	0.086356187	0.145678315	0.109579034	0.1044712	0.118259194	0.080604736	0.115445509	0.134942739	0.148952634	0.103363474	0.127889605	0.16271619	0.125922124	0.14809478	0.153336157
L-Aspartic acid	0.077804565	0.071499447	0.067571229	0.06235885	0.085014153	0.067557696	0.065154645	0.072852173	0.077946923	0.067812187	0.07028143	0.076826429	0.071262572	0.081499332	0.070194792	0.098408447	0.133488354	0.085593732	0.068902204	0.088224857	0.154929384	0.112800487	0.079813062	0.061579646	0.113872185	0.093401264	0.178646536	0.108023878	0.075029935	0.091539539	0.083377512	0.131466006	0.086559303	0.120542631	0.165120715	0.121385838	0.087172356	0.109245601	0.100730836
Butyrylcarnitine	0.00531796	0.011106553	0.006203061	0.014691249	0.010281322	0.00439052	0.010799075	0.008668527	0.005058628	0.006006159	0.007653666	0.007999036	0.006986196	0.0096269	0.006196811	0.004851718	0.006987766	0.005565301	0.012579224	0.004077065	0.002082932	0.005539065	0.007225632	0.01806394	0.006853742	0.006844136	0.008493812	0.004510456	0.005338051	0.011337092	0.00709101	0.007566628	0.005457819	0.008025328	0.002939585	0.002129319	0.009963554	0.005180571	0.003383296
L-Tryptophan	0.012096455	0.010005725	0.011075551	0.010665661	0.010198696	0.013205247	0.01338646	0.011985462	0.015009752	0.014161887	0.008673416	0.012535608	0.010838985	0.011907501	0.01341061	0.009208651	0.013621092	0.00877024	0.01157333	0.013154604	0.024012732	0.014822095	0.021097123	0.014227302	0.014310357	0.015401474	0.016275272	0.014137592	0.012982939	0.011970409	0.017154674	0.018422428	0.019444409	0.013344696	0.018528999	0.020265294	0.014898645	0.018756987	0.018716139
Glutamic acid	20.55389241	10.75098578	14.73586141	14.40153216	16.65192286	22.12034684	11.46710853	16.05555733	17.72406799	13.48422204	19.85988678	21.15453268	17.77763346	21.2473694	16.07869465	20.62648051	25.90233581	14.60665051	15.45918612	15.77726504	25.71034887	17.36972402	12.42058998	13.24731619	15.81996138	22.58133928	30.15852357	17.59710113	15.84082257	28.68720192	18.06586415	17.5900778	20.70719404	27.81927827	22.18677449	37.27911729	27.18922117	16.21150963	16.04637429
Aminoadipic acid	1.425489064	0.504352163	0.316654783	2.313752193	1.662105426	2.823684085	0.635184137	1.713183578	0.141297342	0.414508668	1.262699159	0.976237511	0.600437294	1.551747582	1.05316974	1.103940418	0.086434707	0.882097141	0.908767647	0.444548976	0.24543935	0.107745867	0.131775104	0.207595694	0.068542236	0.0706545	0.208425254	0.223539293	0.441226263	0.049489291	0.130360921	0.783094813	2.067964133	0.462545542	1.394750425	0.096313217	0.213929241	0.876008827	0.301001202
Isovalerylcarnitine	0.000322932	0.000395756	6.39302E-05	0.001616314	0.00124512	0.000924954	0.001135461	0.000565897	0.000219213	0.00017051	0.000505653	0.000247269	0.00020142	0.000274851	0.000171366	0.000269772	0.000168867	0.000706022	0.000599967	0.000187829	0.000385485	0.000175722	0.000475897	0.002644651	0.000215025	0.000749249	0.000212209	0.000350126	0.000270446	0.000323201	0.000176454	0.00085821	0.000698293	0.000449808	0.000318948	5.91707E-05	0.000188076	0.000481049	0.000681004
Hexanoylcarnitine	0.000346849	0.000505791	0.00043425	0.000290428	0.000215763	0.000120906	0.000308949	0.000497112	0.00031701	0.000339854	0.000374335	0.000336833	0.000183393	0.000315786	0.000238613	0.000417713	0.000315398	0.000206974	0.000574043	0.00022018	0.00014216	0.000249089	0.000355388	0.000475032	0.00032331	0.000748224	0.000463459	0.000171181	0.000134497	0.000430631	0.000357701	0.000273834	0.000253477	0.00030777	0.00025909	0.000142806	0.000477082	0.000256963	0.000237031
N-Acetyl-L-aspartic acid	0.000850734	0.001511216	0.00050483	0.000963834	0.00100215	0.000709673	0.000952734	0.001374529	0.000930453	0.000710184	0.001133736	0.000893108	0.000948219	0.00121063	0.001648412	0.000663757	0.001455141	0.001026531	0.001452155	0.001003787	0.00132232	0.000910792	0.00092382	0.001313351	0.001337862	0.001355063	0.001023868	0.001097509	0.000959619	0.002165291	0.001882782	0.001666739	0.001615839	0.001469833	0.002358312	0.002027815	0.001312371	0.001778434	0.0019599
Octanoylcarnitine	0.00406846	0.004053081	0.003648554	0.003756395	0.003367481	0.003754558	0.00370375	0.003582812	0.003564558	0.003579476	0.003648295	0.004032723	0.003594481	0.003771977	0.003760743	0.003647055	0.004018906	0.004446752	0.004018379	0.003652628	0.003883071	0.003924571	0.003669707	0.003417852	0.00380806	0.003607958	0.003571447	0.003708559	0.003734783	0.004405404	0.003902176	0.00413937	0.003734345	0.004241437	0.003938141	0.003797904	0.00379696	0.003862643	0.003787279
N-Acetyl-L-glutamic acid	0.012218221	0.010370369	0.010806164	0.020337776	0.031131277	0.045506299	0.013510727	0.046256748	0.005926358	0.007996697	0.032409473	0.018358158	0.011649285	0.029770906	0.011461151	0.039817181	0.003513964	0.026647045	0.021300471	0.016742652	0.020028192	0.016904835	0.008152352	0.050623718	0.012067495	0.00789948	0.017282497	0.012224158	0.021182564	0.006813165	0.007290557	0.021242484	0.023354066	0.048428393	0.027827158	0.007843658	0.00484043	0.023429561	0.016638242
Decanoylcarnitine	9.94461E-05	0.000339939	0.000244458	0.000193953	0.000107127	4.84116E-05	0.000169107	6.32341E-05	8.35848E-05	0.000193223	9.4673E-05	0.000106729	5.49791E-05	9.59103E-05	0.000150708	0.000244576	0.000196054	0.000128199	0.000124868	0.000197654	0.000172799	0.000209029	0.000188401	0.00022516	0.000237849	0.0002142	0.000127298	0.000188761	9.6418E-05	0.000367072	0.000391772	0.000191856	0.000218095	0.000154032	0.000184979	0.000162898	0.000142848	0.000214837	0.000142824
Dodecanoylcarnitine	5.39509E-05	0.000717122	0.000187819	0.000315875	0.000179742	0.000170444	8.7011E-05	8.88125E-05	0.000102879	0.000319607	0.000139859	0.000248505	0.00013351	0.000186499	0.000349651	0.000217142	0.000276353	0.00023308	0.000179084	0.000228276	0.000381199	0.00028505	0.000200797	0.000320133	0.000392125	0.00011924	0.000126411	0.000307295	0.000247019	0.000408933	0.000427635	0.000308876	0.000246886	0.000258605	0.000204809	0.000216847	0.000181038	0.000264064	0.000180042
Tetradecanoylcarnitine	4.80974E-05	0.003019029	0.000124419	0.000889495	0.000431214	0.000328199	7.98505E-05	0.000257935	0.000322771	0.000406547	0.00033657	0.000488518	0.000275293	0.000573994	0.001659279	0.000220189	0.000684405	0.000632119	0.00056357	0.000510399	0.001833324	0.000726704	0.000451737	0.000719282	0.001085134	0.000244581	0.000290294	0.00104086	0.000883421	0.001258283	0.001177344	0.001088835	0.000731398	0.000637193	0.000430075	0.000427111	0.000477544	0.00075893	0.000537499
Palmitoylcarnitine	0.001616164	0.012104898	0.002457021	0.004468096	0.002580868	0.001393884	0.001980077	0.001625326	0.002788833	0.001992612	0.001906801	0.002239112	0.001680057	0.003247226	0.00831604	0.001896365	0.002739953	0.003306161	0.004281485	0.003342342	0.006883546	0.00330155	0.002625428	0.003735376	0.00434652	0.001004938	0.000868002	0.002432144	0.004240513	0.004883522	0.006231826	0.006368	0.004763453	0.003157337	0.002413843	0.00170218	0.00241755	0.003926945	0.002704309
Stearoylcarnitine	0.000313972	0.000769918	0.00048955	0.000937443	0.00054899	0.000319568	0.000382829	0.000275244	0.000379639	0.000425049	0.000369327	0.000384356	0.000355491	0.000597556	0.000952686	0.00040991	0.000266982	0.000500233	0.000776926	0.000455757	0.000566015	0.000423111	0.000349525	0.000432378	0.000490295	0.000149658	0.000131077	0.000241909	0.000357531	0.000353549	0.000568767	0.000721105	0.000479292	0.000556893	0.000274845	0.000225814	0.000373992	0.000432193	0.000255948
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	Pubchem ID
Ornithine	6262
Histidine	6274
Lysine	5962
1-Methylhistidine	92105
L-Arginine	6322
L-Asparagine	6267
Glycine	750
Serine	5951
Sarcosine	1088
Glutamine	5961
beta-Alanine	239
L-Threonine	6288
Dimethylglycine	673
4-Hydroxyproline	5810
L-Alanine	5950
Citrulline	9750
Betaine	247
L-Carnitine	10917
gamma-Aminobutyric acid	119
Creatine	586
Proline	145742
3-Aminoisobutanoic acid	64956
Pipecolic acid	849
L-Cystathionine	439258
L-Valine	6287
L-Acetylcarnitine	7045767
L-Tyrosine	6057
Methionine	6137
Isoleucine	6306
Leucine	6106
Propionylcarnitine	188824
Pyroglutamic acid	7405
Kynurenine	161166
Phenylalanine	6140
L-Aspartic acid	5960
Butyrylcarnitine	213144
L-Tryptophan	6305
Glutamic acid	33032
Aminoadipic acid	92136
Isovalerylcarnitine	6426851
Hexanoylcarnitine	3246938
N-Acetyl-L-aspartic acid	65065
Octanoylcarnitine	11953814
N-Acetyl-L-glutamic acid	70914
Decanoylcarnitine	11953821
Dodecanoylcarnitine	168381
Tetradecanoylcarnitine	53477791
Palmitoylcarnitine	11953816
Stearoylcarnitine	52922056
METABOLITES_END
#END