#METABOLOMICS WORKBENCH mquattrocelli_20190926_193643 DATATRACK_ID:1828 STUDY_ID:ST001256 ANALYSIS_ID:AN002085 PROJECT_ID:PR000842
VERSION             	1
CREATED_ON             	September 30, 2019, 2:08 pm
#PROJECT
PR:PROJECT_TITLE                 	Metabolic landscape remodeling in dystrophic muscle through glucocorticoid
PR:PROJECT_TITLE                 	steroid regimens
PR:PROJECT_SUMMARY               	Duchenne muscular dystrophy is caused by genetic defects in the gene encoding
PR:PROJECT_SUMMARY               	dystrophin and leads to progressive muscle degeneration. Glucocorticoid steroids
PR:PROJECT_SUMMARY               	are current mainstay pharmacological regimen to decrease muscle inflammation and
PR:PROJECT_SUMMARY               	prolong the ambulatory period in these patients, but daily intake of
PR:PROJECT_SUMMARY               	glucocorticoids like prednisone and deflazacort causes adverse side effects like
PR:PROJECT_SUMMARY               	osteoporosis, adrenal suppression, insulin resistance and obesity. Intermittent
PR:PROJECT_SUMMARY               	steroid dosing has been proposed as alternative to maintain benefits and limit
PR:PROJECT_SUMMARY               	side effects, but a detailed understanding of the mechanisms underpinning the
PR:PROJECT_SUMMARY               	regimen-specific effects in muscle is still missing. Here we explore how
PR:PROJECT_SUMMARY               	once-daily versus once-weekly prednisone (4 week-long treatment) affect the
PR:PROJECT_SUMMARY               	metabolomic landscape in mdx mouse muscle (genetic model of Duchenne muscular
PR:PROJECT_SUMMARY               	dystrophy; DBA/2J background) through metabolomics profiling.
PR:INSTITUTE                     	Northwestern University
PR:DEPARTMENT                    	Center for Genetic Medicine
PR:LABORATORY                    	McNally Laboratory
PR:LAST_NAME                     	Quattrocelli
PR:FIRST_NAME                    	Mattia
PR:ADDRESS                       	303 East Superior St, SQBRC 5-500, Chicago, IL, 60611, USA
PR:EMAIL                         	mattia.quattrocelli@northwestern.edu
PR:PHONE                         	3125037450
PR:FUNDING_SOURCE                	NIH, PPMD, MDA
PR:CONTRIBUTORS                  	Quattrocelli, McNally
#STUDY
ST:STUDY_TITLE                   	Metabolic landscape remodeling in dystrophic muscle through glucocorticoid
ST:STUDY_TITLE                   	steroid regimens
ST:STUDY_SUMMARY                 	Duchenne muscular dystrophy is caused by genetic defects in the gene encoding
ST:STUDY_SUMMARY                 	dystrophin and leads to progressive muscle degeneration. Glucocorticoid steroids
ST:STUDY_SUMMARY                 	are current mainstay pharmacological regimen to decrease muscle inflammation and
ST:STUDY_SUMMARY                 	prolong the ambulatory period in these patients, but daily intake of
ST:STUDY_SUMMARY                 	glucocorticoids like prednisone and deflazacort causes adverse side effects like
ST:STUDY_SUMMARY                 	osteoporosis, adrenal suppression, insulin resistance and obesity. Intermittent
ST:STUDY_SUMMARY                 	steroid dosing has been proposed as alternative to maintain benefits and limit
ST:STUDY_SUMMARY                 	side effects, but a detailed understanding of the mechanisms underpinning the
ST:STUDY_SUMMARY                 	regimen-specific effects in muscle is still missing. Here we explore how
ST:STUDY_SUMMARY                 	once-daily versus once-weekly prednisone (4 week-long treatment) affect the
ST:STUDY_SUMMARY                 	metabolomic landscape in mdx mouse muscle (genetic model of Duchenne muscular
ST:STUDY_SUMMARY                 	dystrophy; DBA/2J background) through metabolomics profiling.
ST:INSTITUTE                     	Northwestern University
ST:LAST_NAME                     	Quattrocelli
ST:FIRST_NAME                    	Mattia
ST:ADDRESS                       	303 East Superior St, SQBRC 5-500, Chicago, IL, 60611, USA
ST:EMAIL                         	mattia.quattrocelli@northwestern.edu
ST:PHONE                         	3125037450
ST:NUM_GROUPS                    	3
ST:TOTAL_SUBJECTS                	9
ST:NUM_MALES                     	9
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
SU:GENOTYPE_STRAIN               	DBA/2J-mdx
SU:AGE_OR_AGE_RANGE              	6 months
SU:GENDER                        	Male
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	-	McN-Mat-20180411-01	Treatment:vehicle	
SUBJECT_SAMPLE_FACTORS           	-	McN-Mat-20180411-02	Treatment:vehicle	
SUBJECT_SAMPLE_FACTORS           	-	McN-Mat-20180411-03	Treatment:vehicle	
SUBJECT_SAMPLE_FACTORS           	-	McN-Mat-20180411-04	Treatment:weekly prednisone	
SUBJECT_SAMPLE_FACTORS           	-	McN-Mat-20180411-05	Treatment:weekly prednisone	
SUBJECT_SAMPLE_FACTORS           	-	McN-Mat-20180411-06	Treatment:weekly prednisone	
SUBJECT_SAMPLE_FACTORS           	-	McN-Mat-20180411-07	Treatment:daily prednisone	
SUBJECT_SAMPLE_FACTORS           	-	McN-Mat-20180411-08	Treatment:daily prednisone	
SUBJECT_SAMPLE_FACTORS           	-	McN-Mat-20180411-09	Treatment:daily prednisone	
#COLLECTION
CO:COLLECTION_SUMMARY            	3 vehicle control samples; 3 once-daily prednisone (1mg/kg i.p.) samples; 3
CO:COLLECTION_SUMMARY            	once-weekly prednisone (1mg/kg i.p.) samples. Each sample was extracted from
CO:COLLECTION_SUMMARY            	~100mg quadriceps muscle mass (one per mouse). Total hydrophilic metabolite
CO:COLLECTION_SUMMARY            	content was extracted from quadriceps muscle tissue at treatment endpoint
CO:COLLECTION_SUMMARY            	through methanol:water (80:20) extraction, adapting conditions described
CO:COLLECTION_SUMMARY            	previously (Bruno et al., 2018). Briefly, total metabolite content from
CO:COLLECTION_SUMMARY            	quadriceps muscle was obtained from ~100mg (wet weight) quadriceps muscle tissue
CO:COLLECTION_SUMMARY            	per animal. Frozen (-80°C) muscle was pulverized in liquid nitrogen and
CO:COLLECTION_SUMMARY            	homogenized with ~250l 2.3mm zirconia/silica beads (Cat # 11079125z, BioSpec,
CO:COLLECTION_SUMMARY            	Bartlesville, OK) in 1ml methanol/water 80:20 (vol/vol) by means of
CO:COLLECTION_SUMMARY            	Mini-BeadBeater-16 (Cat # 607, Biospec, Bartlesville, OK) for 1 minute. After
CO:COLLECTION_SUMMARY            	centrifuging at 5000rpm for 5 minutes, 200l of supernatant were transferred
CO:COLLECTION_SUMMARY            	into a tube pre-added with 800L of ice-cold methanol/water 80% (vol/vol).
CO:COLLECTION_SUMMARY            	Samples were vortexed for 1 min, and then centrifuged at ~20,160 xg for 15 min
CO:COLLECTION_SUMMARY            	at 4°C. Metabolite-containing extraction solution was then dried using SpeedVac
CO:COLLECTION_SUMMARY            	(medium power).
CO:SAMPLE_TYPE                   	Muscle
#TREATMENT
TR:TREATMENT_SUMMARY             	3 vehicle control samples; 3 once-daily prednisone (1mg/kg i.p.) samples; 3
TR:TREATMENT_SUMMARY             	once-weekly prednisone (1mg/kg i.p.) samples. Each sample was extracted from
TR:TREATMENT_SUMMARY             	~100mg quadriceps muscle mass (one per mouse). Treatment duration was four
TR:TREATMENT_SUMMARY             	weeks. Samples were collected 48 hours after last prednisone injection.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Total hydrophilic metabolite content was extracted from quadriceps muscle tissue
SP:SAMPLEPREP_SUMMARY            	at treatment endpoint through methanol:water (80:20) extraction, adapting
SP:SAMPLEPREP_SUMMARY            	conditions described previously (Bruno et al., 2018). Briefly, total metabolite
SP:SAMPLEPREP_SUMMARY            	content from quadriceps muscle was obtained from ~100mg (wet weight) quadriceps
SP:SAMPLEPREP_SUMMARY            	muscle tissue per animal. Frozen (-80°C) muscle was pulverized in liquid
SP:SAMPLEPREP_SUMMARY            	nitrogen and homogenized with ~250l 2.3mm zirconia/silica beads (Cat #
SP:SAMPLEPREP_SUMMARY            	11079125z, BioSpec, Bartlesville, OK) in 1ml methanol/water 80:20 (vol/vol) by
SP:SAMPLEPREP_SUMMARY            	means of Mini-BeadBeater-16 (Cat # 607, Biospec, Bartlesville, OK) for 1 minute.
SP:SAMPLEPREP_SUMMARY            	After centrifuging at 5000rpm for 5 minutes, 200l of supernatant were
SP:SAMPLEPREP_SUMMARY            	transferred into a tube pre-added with 800L of ice-cold methanol/water 80%
SP:SAMPLEPREP_SUMMARY            	(vol/vol). Samples were vortexed for 1 min, and then centrifuged at ~20,160 xg
SP:SAMPLEPREP_SUMMARY            	for 15 min at 4°C. Metabolite-containing extraction solution was then dried
SP:SAMPLEPREP_SUMMARY            	using SpeedVac (medium power).
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	200ul of 50% Acetonitrile were added to the tube for reconstitution following by
CH:CHROMATOGRAPHY_SUMMARY        	overtaxing for 1 min. Samples solution were then centrifuged for 15 min @
CH:CHROMATOGRAPHY_SUMMARY        	20,000g, 4°C. Supernatant was collected for LC-MS analysis for Hydrophilic
CH:CHROMATOGRAPHY_SUMMARY        	Metabolites Profiling as follows. Samples were analyzed by High-Performance
CH:CHROMATOGRAPHY_SUMMARY        	Liquid Chromatography and High-Resolution Mass Spectrometry and Tandem Mass
CH:CHROMATOGRAPHY_SUMMARY        	Spectrometry (HPLC-MS/MS). Specifically, system consisted of a Thermo Q-Exactive
CH:CHROMATOGRAPHY_SUMMARY        	in line with an electrospray source and an Ultimate3000 (Thermo) series HPLC
CH:CHROMATOGRAPHY_SUMMARY        	consisting of a binary pump, degasser, and auto-sampler outfitted with a Xbridge
CH:CHROMATOGRAPHY_SUMMARY        	Amide column (Waters; dimensions of 4.6 mm × 100 mm and a 3.5 µm particle
CH:CHROMATOGRAPHY_SUMMARY        	size). The mobile phase A contained 95% (vol/vol) water, 5% (vol/vol)
CH:CHROMATOGRAPHY_SUMMARY        	acetonitrile, 20 mM ammonium hydroxide, 20 mM ammonium acetate, pH = 9.0; B was
CH:CHROMATOGRAPHY_SUMMARY        	100% Acetonitrile. The gradient was as following: 0 min, 15% A; 2.5 min, 30% A;
CH:CHROMATOGRAPHY_SUMMARY        	7 min, 43% A; 16 min, 62% A; 16.1-18 min, 75% A; 18-25 min, 15% A with a flow
CH:CHROMATOGRAPHY_SUMMARY        	rate of 400 μL/min.
CH:CHROMATOGRAPHY_TYPE           	HILIC
CH:INSTRUMENT_NAME               	Thermo Ultimate3000
CH:COLUMN_NAME                   	Waters XBridge Amide (100 x 4.6mm, 3.5um)
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:LABORATORY_NAME               	Metabolomics Core Facility at Robert H. Lurie Comprehensive Cancer Center of
AN:LABORATORY_NAME               	Northwestern University.
AN:OPERATOR_NAME                 	Peng Gao
#MS
MS:INSTRUMENT_NAME               	Thermo Q-Exactive
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	UNSPECIFIED
MS:MS_COMMENTS                   	The capillary of the ESI source was set to 275 °C, with sheath gas at 45
MS:MS_COMMENTS                   	arbitrary units, auxiliary gas at 5 arbitrary units and the spray voltage at 4.0
MS:MS_COMMENTS                   	kV. In positive/negative polarity switching mode, an m/z scan range from 70 to
MS:MS_COMMENTS                   	850 was chosen and MS1 data was collected at a resolution of 70,000. The
MS:MS_COMMENTS                   	automatic gain control (AGC) target was set at 1 × 106 and the maximum
MS:MS_COMMENTS                   	injection time was 200 ms. The top 5 precursor ions were subsequently
MS:MS_COMMENTS                   	fragmented, in a data-dependent manner, using the higher energy collisional
MS:MS_COMMENTS                   	dissociation (HCD) cell set to 30% normalized collision energy in MS2 at a
MS:MS_COMMENTS                   	resolution power of 17,500. The sample volumes of 25 μl were injected. Data
MS:MS_COMMENTS                   	acquisition and analysis were carried out by Xcalibur 4.0 software and
MS:MS_COMMENTS                   	Tracefinder 2.1 software, respectively (both from Thermo Fisher Scientific).
MS:LABORATORY_NAME               	Northwestern University.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	peak area values
MS_METABOLITE_DATA_START
Samples	McN-Mat-20180411-01	McN-Mat-20180411-02	McN-Mat-20180411-03	McN-Mat-20180411-04	McN-Mat-20180411-05	McN-Mat-20180411-06	McN-Mat-20180411-07	McN-Mat-20180411-08	McN-Mat-20180411-09
Factors	Treatment:vehicle	Treatment:vehicle	Treatment:vehicle	Treatment:weekly prednisone	Treatment:weekly prednisone	Treatment:weekly prednisone	Treatment:daily prednisone	Treatment:daily prednisone	Treatment:daily prednisone
total iron content	23865000000.000000000	23973000000.000000000	20886000000.000000000	22354000000.000000000	19753000000.000000000	23979000000.000000000	21511000000.000000000	23262000000.000000000	22495000000.000000000
2-Ketobutyric acid	3299736.890000000	3210889.390000000	2824324.630000000	1477468.830000000	1762803.460000000	1731317.970000000	1270576.470000000	1382472.710000000	2155468.940000000
2,3-Diphosphoglyceric acid	26654.990000000	29677.610000000	28693.690000000	11246.000000000	13157.040000000	10464.740000000	27334.890000000	26029.420000000	28815.350000000
2'-Deoxyguanosine 5'-monophosphate	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000
3-Phosphoglyceric acid	92536335.660000000	86843435.760000000	69591836.610000000	51858282.310000000	8848150.420000000	32460734.540000000	90585595.880000000	69562383.720000000	74583327.340000000
4-Hydroxyproline	3473026.050000000	3979179.220000000	2985984.780000000	3056578.630000000	2895182.250000000	2984481.350000000	1935756.180000000	3072286.300000000	2407110.820000000
4,5-Dihydroorotic acid	0.000000000	0.000000000	0.000000000	5357.430000000	0.000000000	7113.520000000	5663.870000000	5419.570000000	7555.070000000
5-Aminolevulinic acid	10145119.250000000	13212901.040000000	6523190.920000000	3664800.730000000	2097074.440000000	5197844.510000000	4502929.000000000	5883155.480000000	4621392.700000000
5-Thymidylic acid	4587.310000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000
6-Phosphogluconic acid	1371861.720000000	1125487.430000000	662319.830000000	485359.030000000	190167.660000000	474604.350000000	507253.790000000	679239.050000000	516488.400000000
6-Phosphonoglucono-D-lactone	0.000000000	9660.590000000	0.000000000	0.000000000	0.000000000	5952.810000000	0.000000000	0.000000000	0.000000000
Acetoacetic acid	7902747.720000000	7157929.615000000	7277685.416000000	3468600.339000000	3506540.532000000	2663347.574000000	5207536.829000000	5999002.882000000	6032074.268000000
Acetylcholine	259437034.390000000	303079664.850000000	148401463.940000000	226577285.350000000	122898200.030000000	312443128.150000000	162179543.130000000	203694952.880000000	163025841.370000000
Adenine	64839983.970000000	28981401.800000000	36072798.540000000	23278347.860000000	22629039.140000000	22764278.750000000	44293350.560000000	21466695.850000000	20859307.180000000
Adenosine	2419289.400000000	2227028.500000000	2500760.140000000	2439139.910000000	2278204.220000000	2759451.850000000	2413820.330000000	2196931.510000000	2502746.550000000
Adenylsuccinic acid	490983.030000000	469556.390000000	137914.800000000	734515.750000000	52503.290000000	201844.200000000	166217.370000000	327661.040000000	131878.250000000
ADP	24678036.150000000	21713272.660000000	21698805.370000000	25108319.900000000	22590815.740000000	21986101.230000000	33400078.680000000	31302939.710000000	35242609.000000000
ADP-glucose	70879.580000000	46273.850000000	31177.070000000	35864.290000000	23857.160000000	60681.630000000	33354.270000000	31991.510000000	24588.920000000
AICAR	201237.130000000	164157.220000000	74919.900000000	16345.200000000	11693.500000000	62591.300000000	135490.490000000	96426.670000000	135762.030000000
Allantoin	5203228.670000000	6526701.770000000	4123474.700000000	6024580.970000000	3080256.510000000	6809159.980000000	3914712.510000000	4722005.310000000	3557695.150000000
Alpha-ketoisovaleric acid	2910698.950000000	2949256.280000000	2408756.030000000	1289169.180000000	1200336.350000000	1135915.060000000	1474830.730000000	1754784.010000000	542055.700000000
AMP	12088321.330000000	11371580.240000000	10757444.820000000	41146180.120000000	37153670.690000000	33272615.090000000	7257523.370000000	6618645.660000000	6717849.300000000
Anandamide	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000
Argininosuccinic acid	505275.990000000	514455.080000000	328092.980000000	220420.150000000	132507.750000000	441797.950000000	356077.050000000	362813.560000000	446703.780000000
ATP	7975436.080000000	5940080.460000000	6841156.930000000	12511583.570000000	13975436.080000000	12940080.460000000	4477501.570000000	3895055.650000000	4612097.650000000
Betaine	376653468.150000000	344652182.930000000	256959438.700000000	481233565.190000000	186760843.660000000	441713586.010000000	260738665.150000000	309341200.670000000	272721410.970000000
Carbamoyl phosphate	18524.240000000	152945.710000000	77869.080000000	17894.420000000	153284.340000000	310130.620000000	41336.160000000	147473.980000000	0.000000000
CDP	653802.470000000	563108.380000000	309621.220000000	597343.960000000	158283.900000000	616483.870000000	503038.650000000	799616.670000000	504750.250000000
Choline	647717051.200000000	540262718.720000000	368090393.960000000	436792799.280000000	371043833.380000000	762454005.330000000	319549344.860000000	413055785.520000000	332566917.830000000
cis-Aconitic acid	32329328.180000000	32740835.930000000	31941986.030000000	31110575.820000000	32805992.300000000	33363563.200000000	14579951.890000000	21384103.890000000	19848971.380000000
Citric acid	655718966.750000000	624091695.910000000	647865535.330000000	606780570.710000000	620723380.820000000	656269324.040000000	229253130.410000000	242932103.510000000	234776488.040000000
Citrulline	31744329.320000000	33234631.560000000	20469864.400000000	23100317.740000000	12435937.110000000	31761431.670000000	23363970.220000000	32080273.190000000	28779010.640000000
Creatine	6066693085.560000000	5921057891.870000000	5619508939.870000000	5935163712.800000000	6198413992.920000000	5930317675.420000000	5759910727.240000000	6029056055.490000000	5721528205.030000000
Creatinine	24637485.860000000	22161581.050000000	26269888.240000000	31391311.010000000	33280312.430000000	34001171.070000000	18379876.150000000	14697912.680000000	20269837.870000000
Cytidine	1242010.410000000	1362013.430000000	796393.330000000	559588.310000000	812476.420000000	1950315.870000000	682609.720000000	694346.080000000	791979.000000000
Cytidine monophosphate	2737509.500000000	3793430.170000000	1441122.630000000	2498754.880000000	1683158.950000000	3346342.770000000	1814144.840000000	2157641.920000000	1440213.090000000
Cytidine triphosphate	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000
Cytosine	3959866.640000000	3288349.770000000	3688299.140000000	3321293.880000000	3269682.450000000	3282690.350000000	2699577.780000000	3726501.590000000	4429438.390000000
D-4'-Phosphopantothenate	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000
D-Erythrose 4-phosphate	1219441.740000000	917732.530000000	842439.000000000	740842.680000000	96754.750000000	541763.820000000	760896.830000000	973619.950000000	860557.150000000
D-Glyceraldehyde 3-phosphate	17698365.070000000	12942383.830000000	8240119.520000000	322719.000000000	1134701.850000000	4344319.110000000	13569298.000000000	11267034.410000000	8963531.120000000
D-Ribulose 5-phosphate	0.000000000	0.000000000	0.000000000	11176.080000000	0.000000000	0.000000000	0.000000000	0.000000000	17600.330000000
D-Sedoheptulose 7-phosphate	849390.440000000	659573.130000000	461003.260000000	137934.420000000	127540.170000000	231739.040000000	247919.910000000	200298.880000000	368338.440000000
dCDP	103142.580000000	138277.440000000	82686.800000000	87951.260000000	119387.190000000	112541.280000000	123745.250000000	119021.610000000	143809.130000000
dCMP	5878.160000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000
dCTP	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000
Deoxyadenosine monophosphate	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000
Deoxyadenosine triphosphate	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000
Deoxyguanosine	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	806710.850000000	1355637.500000000	961168.830000000
Deoxyuridine triphosphate	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000
dGDP	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000
dGTP	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000
Dihydroxyacetone phosphate	2972900.200000000	2766054.300000000	3240119.520000000	1234310.840000000	482544.010000000	2009224.870000000	1856884.330000000	3379155.120000000	2021105.910000000
DL-O-Phosphoserine	53666.150000000	26239.590000000	12284.120000000	28060.750000000	9381.990000000	44432.710000000	19597.920000000	30728.010000000	15167.660000000
Dopamine	585953.810000000	448179.400000000	444895.610000000	559531.470000000	340430.610000000	477294.270000000	597387.060000000	454322.350000000	602859.600000000
dUMP	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000
Epinephrine	30434.020000000	42388.030000000	13206.930000000	13918.700000000	0.000000000	46209.330000000	17842.150000000	28318.470000000	25249.750000000
FAD	360353.800000000	350784.730000000	176525.700000000	271797.940000000	152330.940000000	348533.420000000	229181.390000000	375540.110000000	260406.440000000
Flavin Mononucleotide	18290.100000000	42739.340000000	0.000000000	21597.480000000	0.000000000	43176.350000000	28870.400000000	20368.330000000	13764.930000000
Fructose 1-phosphate	27696810.300000000	36454120.450000000	21188372.740000000	3813257.450000000	700030.760000000	3078038.090000000	20842873.380000000	24701810.680000000	32788046.260000000
Fructose 1,6-bisphosphate	6642031.360000000	8488291.640000000	4677085.870000000	2111168.500000000	695635.010000000	1580887.530000000	7729618.200000000	7307492.290000000	3804969.050000000
Fructose 6-phosphate	21923780.580000000	30794422.020000000	18608348.250000000	4046255.200000000	1504367.390000000	4220473.330000000	18945522.190000000	17904116.240000000	25998579.180000000
Fumaric acid	64924516.260000000	54490453.670000000	55922136.160000000	62977042.370000000	61921748.520000000	58062926.000000000	42287796.790000000	44533128.090000000	51577430.490000000
Galactonic acid	18615493.490000000	20006723.280000000	9787069.500000000	9604367.180000000	4898099.100000000	12959875.800000000	9682489.280000000	11253763.150000000	8505337.060000000
Gamma-Aminobutyric acid	2521396.170000000	2280190.160000000	934045.520000000	1700846.070000000	438659.410000000	1741173.940000000	1310861.860000000	1351587.520000000	1774959.210000000
Gluconic acid	5777325.230000000	6105483.000000000	3313248.300000000	4569478.510000000	2041444.000000000	5141918.960000000	4847617.310000000	5148369.200000000	5039518.400000000
Gluconolactone	666125.930000000	1393096.360000000	692169.730000000	544802.850000000	328808.050000000	956263.450000000	701260.230000000	538771.090000000	404853.790000000
Glucosamine	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000
Glucosamine 6-phosphate	1476926.210000000	2407479.650000000	1639380.470000000	495858.600000000	0.000000000	365507.310000000	1537949.570000000	1696592.910000000	1868388.400000000
Glucosamine-1P	1133610.090000000	1616636.150000000	817277.130000000	150130.820000000	0.000000000	115416.870000000	830951.370000000	1132569.960000000	1247494.230000000
Glucose 6-phosphate	81586440.840000000	121826665.530000000	76024135.140000000	11305459.960000000	2208371.890000000	9752993.480000000	92361593.790000000	102589227.530000000	91964905.950000000
Glutathione	74891918.430000000	78166767.170000000	35737588.410000000	21597026.460000000	21355220.950000000	46831811.140000000	46691386.220000000	64985282.070000000	59069251.790000000
Glyceric acid	43685899.930000000	32940956.600000000	1063458.070000000	27857735.200000000	8790824.140000000	30738939.620000000	34049941.760000000	47993355.900000000	38066561.900000000
Glyceric acid 1,3-biphosphate	13975660.060000000	14433630.760000000	10350135.320000000	8247259.140000000	1721204.040000000	8883681.120000000	13455050.350000000	11461057.820000000	10475737.980000000
Glycerol 3-phosphate	36253844.950000000	29262836.730000000	31727087.450000000	9875528.301000000	3906536.582000000	11353129.720000000	34424253.010000000	39380158.610000000	49492116.340000000
Glycine	15901592.480000000	17303282.420000000	8430540.120000000	12757263.130000000	12042298.840000000	19364131.900000000	10773406.840000000	15491136.860000000	10863728.470000000
Guanine	118891.840000000	121851.310000000	64643.740000000	80140.180000000	84878.400000000	214162.610000000	93758.490000000	132919.460000000	76153.600000000
Guanosine	87915.750000000	94563.990000000	46694.920000000	68365.680000000	17445.040000000	221993.680000000	62320.400000000	36242.350000000	56088.500000000
Guanosine diphosphate	240547.300000000	230776.620000000	94408.400000000	366997.810000000	75760.280000000	150696.890000000	131948.470000000	323248.980000000	122700.130000000
Guanosine monophosphate	6685103.180000000	6838795.900000000	3674359.150000000	3668279.980000000	3670314.260000000	7888741.560000000	4587489.740000000	4918045.460000000	4647787.150000000
Guanosine triphosphate	325780.310000000	225492.970000000	155221.240000000	204532.800000000	24499.080000000	98270.600000000	164558.540000000	321255.110000000	186348.710000000
Histamine	246485003.030000000	259227313.720000000	142164847.660000000	286720948.840000000	224587768.950000000	366523139.660000000	277977866.770000000	328906661.880000000	255620440.820000000
Homocysteine	30366.230000000	22652.630000000	0.000000000	9510.050000000	9799.130000000	7686.430000000	0.000000000	0.000000000	0.000000000
Hydroxypropionic acid	70176417.690000000	78049330.530000000	46811130.020000000	47324316.710000000	39757603.200000000	37429362.290000000	66609252.440000000	72236014.980000000	72520815.210000000
IDP	15262.190000000	21884.220000000	21161.160000000	0.000000000	0.000000000	0.000000000	0.000000000	6851.680000000	8785.690000000
Inosine	14306927.130000000	13794829.860000000	9994193.150000000	8810509.690000000	6578826.740000000	21983833.680000000	9054563.600000000	9463027.870000000	12663773.060000000
Inosinic acid	323853110.420000000	361470875.480000000	221241312.150000000	307922336.080000000	234856852.150000000	379958819.010000000	293334656.120000000	341985531.470000000	308666974.450000000
Isocitric acid	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000
L-2-Hydroxyglutaric acid	37286371.060000000	34602001.750000000	39556525.930000000	34174935.540000000	44743926.510000000	37727044.200000000	23817719.560000000	13761165.540000000	23170713.080000000
L-Alanine	142514249.390000000	146863251.800000000	91113178.010000000	118622098.810000000	74446450.550000000	149778485.140000000	111621444.150000000	142976726.870000000	118866144.220000000
L-Arginine	256948320.560000000	234427564.650000000	199124356.980000000	154547155.900000000	103834653.420000000	227051802.190000000	199299287.780000000	248135156.410000000	208187640.780000000
L-Asparagine	12513782.720000000	11585776.640000000	7010527.720000000	12892194.410000000	8292209.450000000	19484899.090000000	7514977.080000000	9151453.600000000	7887111.700000000
L-Aspartic acid	47872169.580000000	46243303.600000000	22320760.160000000	47434430.780000000	17920478.850000000	39231994.070000000	30162297.340000000	31867940.010000000	27047800.610000000
L-Carnitine	1314462393.850000000	1237491650.540000000	1870565313.280000000	1732901680.760000000	1302544481.510000000	1531414249.350000000	982718648.830000000	564164527.840000000	688291947.010000000
L-Cystathionine	68546.270000000	67308.950000000	46468.290000000	86497.530000000	23165.730000000	104817.590000000	35874.510000000	32541.850000000	32263.510000000
L-Cysteine	616245.460000000	573916.610000000	87609.790000000	34997.560000000	20014.090000000	62199.440000000	67375.370000000	190344.020000000	213112.890000000
L-Cystine	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000
L-Glutamic acid	228139760.090000000	210040883.850000000	194540274.670000000	120045883.440000000	65881207.740000000	104521104.110000000	277682456.410000000	294904279.820000000	272704036.140000000
L-Glutamine	369785359.790000000	402812728.020000000	462067222.430000000	261372036.960000000	246049137.820000000	265084311.230000000	387835519.480000000	441963659.760000000	411475932.540000000
L-Histidine	109470903.290000000	113108235.670000000	45744494.010000000	91821565.370000000	31757727.170000000	152987213.280000000	69693239.060000000	110274422.720000000	87758535.050000000
L-Homoserine	43944321.300000000	43108094.570000000	24962356.400000000	37895914.940000000	24590817.380000000	54293390.800000000	33503040.600000000	40223210.880000000	29777242.740000000
L-Isoleucine	11008205.420000000	10654426.310000000	7692473.740000000	5629449.350000000	3748550.400000000	4343653.410000000	21899833.290000000	17506321.190000000	20046584.240000000
L-Kynurenine	75697.330000000	53855.860000000	45985.820000000	63576.590000000	47136.110000000	76583.260000000	37520.760000000	25574.230000000	43423.310000000
L-Lactic acid	1878398722.230000000	1013458111.460000000	2120437340.260000000	3070703499.550000000	3917672069.550000000	3194473522.500000000	1521970235.120000000	1053647314.050000000	1224713367.730000000
L-Leucine	88654576.010000000	73706279.480000000	58072478.840000000	34836094.360000000	24765287.900000000	25186097.290000000	97580705.370000000	92890019.750000000	108615308.450000000
L-Lysine	95195519.390000000	87660754.830000000	61380919.710000000	67983072.590000000	38755660.790000000	94960344.110000000	61275916.260000000	83812173.870000000	68059028.920000000
L-Methionine	26566183.660000000	25675833.990000000	17464965.420000000	15588615.290000000	11115333.890000000	24970024.020000000	21825465.180000000	27583283.140000000	26011930.630000000
L-Phenylalanine	41405555.140000000	41860329.070000000	29599181.980000000	29056224.530000000	20772156.880000000	42923278.350000000	30589946.620000000	33809938.730000000	33117875.850000000
L-Proline	111459470.040000000	113433551.230000000	69725062.450000000	77234054.250000000	49237249.170000000	114565874.650000000	68936491.240000000	85942183.400000000	86821933.820000000
L-Serine	17837548.530000000	18074361.550000000	10986153.460000000	14678332.400000000	10848471.190000000	23648801.580000000	13324547.950000000	15836692.100000000	13542238.880000000
L-Threonine	44156258.560000000	43221979.880000000	25150410.560000000	37796535.120000000	24652222.290000000	54086010.460000000	33437719.070000000	40765032.640000000	29930962.260000000
L-Tryptophan	10403765.180000000	9669030.780000000	6757858.980000000	6934444.550000000	4143688.940000000	9860450.500000000	5708404.290000000	6401621.190000000	5461205.120000000
L-Tyrosine	17462706.540000000	17090978.380000000	11118506.410000000	11134938.380000000	7279250.600000000	18648081.610000000	11665590.440000000	14401812.260000000	14445395.110000000
L-Valine	41867026.950000000	48213983.740000000	56896221.300000000	36611917.610000000	21911334.080000000	23458759.400000000	67580404.240000000	80685326.930000000	69255186.240000000
Levulinic acid	1437835.810000000	1412945.330000000	1168306.390000000	1398721.900000000	1608466.170000000	834216.750000000	394802.540000000	809040.120000000	1514899.670000000
Maleic acid	60809399.500000000	66090202.650000000	42179015.730000000	42931820.300000000	24040809.860000000	64448391.610000000	45729011.640000000	63947866.690000000	59933737.760000000
Malic acid	1741615946.550000000	1854681921.030000000	1538621207.760000000	1658848164.600000000	1762839133.150000000	1738277959.790000000	1346957068.580000000	1220420945.110000000	1508198652.140000000
Mevalonic acid	316268.900000000	485720.340000000	195169.480000000	64094.890000000	109070.130000000	147755.540000000	193037.350000000	257749.180000000	89801.810000000
N-Acetyl-b-D-galactosamine	0.000000000	0.000000000	0.000000000	185821.340000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000
N-Acetyl-L-alanine	98346.980000000	2281467.840000000	86129.070000000	1094187.260000000	790706.640000000	20546.960000000	935722.280000000	2580461.590000000	62478.680000000
N-Acetyl-L-aspartic acid	102405186.490000000	58565450.590000000	25435548.500000000	55980507.950000000	30062246.330000000	128342970.060000000	44865949.860000000	107141963.120000000	53116018.090000000
N-Acetylaspartylglutamic acid	9857549.270000000	5790613.560000000	3432890.510000000	16690638.040000000	13159488.130000000	19314307.800000000	8028860.460000000	14110728.180000000	6858714.350000000
N-Acetylgalactosamine	35583.310000000	30468.680000000	19241.130000000	20286.680000000	35425.760000000	53858.310000000	0.000000000	14265.270000000	18840.740000000
N-Acetylglucosamine 6-phosphate	388877.760000000	321217.090000000	176174.700000000	194672.790000000	74686.050000000	241805.490000000	195077.890000000	174672.000000000	131728.700000000
N-Methyltryptamine	38933.820000000	21006.120000000	21184.700000000	22152.460000000	21964.860000000	32166.410000000	29224.450000000	34474.630000000	23517.810000000
NAD	5294882.520000000	6658961.640000000	5562368.540000000	11997960.000000000	12639915.510000000	13142096.050000000	2489785.320000000	3734263.690000000	1748025.270000000
NADH	1220899.240000000	1300717.350000000	1117362.150000000	1100290.280000000	1131723.710000000	1273784.360000000	931058.410000000	836017.160000000	743187.680000000
NADP	470388.900000000	382186.800000000	192499.040000000	369226.030000000	91598.720000000	339966.670000000	225854.940000000	362208.280000000	276913.140000000
NADPH	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	4723.710000000	0.000000000	0.000000000	0.000000000
Niacinamide	105001259.220000000	113501164.820000000	101749706.490000000	91562310.760000000	128272174.510000000	122518696.860000000	94644716.300000000	99146751.170000000	103151404.860000000
Norepinephrine	44072.500000000	52225.970000000	26265.570000000	40253.380000000	44684.890000000	47248.310000000	69870.660000000	24897.300000000	9493.640000000
Ornithine	2390400.840000000	2156168.670000000	1663838.000000000	1045293.300000000	1019121.280000000	2072395.140000000	2188222.440000000	2236438.610000000	2494230.720000000
Orotic acid	1330188.600000000	2410903.510000000	1156675.550000000	752539.240000000	307214.670000000	918576.880000000	1045209.090000000	1242880.960000000	984581.600000000
Orotidylic acid	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000
Oxalacetic acid	37789.090000000	30750.200000000	41297.340000000	62707.320000000	69727.080000000	118139.830000000	21607.200000000	27231.780000000	22495.580000000
Oxidized glutathione	3613024.590000000	2587670.720000000	2642433.670000000	4040948.680000000	930591.880000000	3812063.170000000	3395404.650000000	2349640.950000000	2083723.240000000
Oxoglutaric acid	10057524.700000000	8159115.420000000	8261606.450000000	12312190.090000000	15393867.540000000	14425137.300000000	6677946.590000000	5738983.430000000	4474895.780000000
p-Octopamine	718915.670000000	778132.340000000	731058.950000000	628512.570000000	706369.810000000	695630.870000000	728067.990000000	844660.220000000	676223.050000000
p-Synephrine	51018.190000000	16132.930000000	16523.010000000	19884.100000000	14242.220000000	41906.370000000	26717.300000000	9175.010000000	7621.160000000
Pantothenic acid	23839740.720000000	25382883.430000000	13284370.310000000	24580591.540000000	12593982.540000000	35197690.810000000	20777391.140000000	21802432.300000000	18130830.410000000
Phenylethylamine	153519.530000000	136859.140000000	118312.540000000	58254.520000000	115105.610000000	188102.060000000	134197.020000000	147657.660000000	103417.390000000
Phosphocreatine	341576.990000000	250544.690000000	245891.020000000	507805.120000000	423974.750000000	457797.150000000	106420.460000000	164445.600000000	138129.450000000
Phosphoenolpyruvic acid	84607548.050000000	68881398.960000000	69483795.220000000	47871712.210000000	16886462.940000000	41905717.640000000	52383836.710000000	55163192.770000000	76864644.180000000
Phosphohydroxypyruvic acid	0.000000000	12284.840000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000
Phosphoribosyl pyrophosphate	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000
Phosphorylcholine	39366129.320000000	29328461.180000000	20247586.180000000	15628997.860000000	9933237.210000000	24633361.110000000	18070314.540000000	21570366.670000000	16015386.620000000
Putrescine	3177677.770000000	2726366.690000000	1545339.470000000	1286210.300000000	440032.660000000	1602415.330000000	2566590.900000000	2141377.410000000	3819616.490000000
Pyruvic acid	11246630.930000000	13340700.340000000	10845587.710000000	21337748.880000000	24802924.120000000	26031567.330000000	11159252.870000000	11571744.830000000	9255297.640000000
Ribose 1,5-bisphosphate	11812231.350000000	10988618.820000000	5723937.260000000	2389684.080000000	4409623.990000000	11532210.740000000	6008482.410000000	7405622.830000000	7679469.960000000
S-Adenosylhomocysteine	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000
S-Adenosylmethionine	2946074.530000000	3034577.130000000	2654335.060000000	2090363.560000000	1374919.550000000	2513167.160000000	2402753.860000000	2649570.990000000	2479955.570000000
Serotonin	462387.810000000	402677.730000000	261865.110000000	191896.090000000	147497.820000000	262189.900000000	247562.290000000	284858.290000000	311548.370000000
Spermidine	442070512.620000000	343987027.680000000	451332713.060000000	261458516.150000000	139176932.950000000	89728416.670000000	68762492.060000000	51032472.000000000	43771165.290000000
Spermine	2710469859.760000000	2706238644.980000000	2610922339.290000000	2547995689.450000000	2552597561.370000000	2604654394.420000000	2604121127.360000000	2556785431.500000000	2542776965.580000000
Succinic acid	130776525.640000000	127711953.070000000	137286604.730000000	152087481.170000000	162114085.030000000	156577513.270000000	114420426.270000000	114177142.540000000	115925628.600000000
Succinic acid semialdehyde	1494307.030000000	1208313.350000000	462289.140000000	466468.160000000	783080.650000000	1346058.400000000	317411.580000000	943855.520000000	934722.840000000
Thiamine	1738943.230000000	2096259.300000000	1425147.700000000	7949.360000000	730617.040000000	1851039.520000000	1675602.160000000	1936809.460000000	1758272.730000000
Thymidine	508915.300000000	616679.020000000	326147.860000000	526046.470000000	279168.570000000	643586.710000000	218359.920000000	302294.430000000	196171.910000000
Thymidine 5'-triphosphate	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000	0.000000000
Thymine	121176.550000000	64239.610000000	64679.250000000	0.000000000	31046.260000000	0.000000000	0.000000000	0.000000000	0.000000000
Tryptamine	179824.830000000	231350.980000000	169079.500000000	186307.980000000	143475.020000000	152816.880000000	225590.340000000	133591.440000000	128879.520000000
Tyramine	436148.100000000	429569.420000000	498461.130000000	652624.630000000	496012.340000000	508269.260000000	642734.460000000	339464.000000000	519808.850000000
Uracil	3002127.900000000	2614150.890000000	1822656.770000000	1503491.250000000	1072288.020000000	2419320.410000000	745954.700000000	880388.070000000	968441.110000000
Ureidosuccinic acid	56130.240000000	48827.740000000	32949.110000000	22293.430000000	0.000000000	22139.520000000	23527.590000000	21196.100000000	40233.310000000
Uric acid	45919.550000000	54081.320000000	26935.700000000	42784.030000000	24209.930000000	49417.880000000	35042.950000000	43177.780000000	124516.170000000
Uridine	2472572.930000000	2556920.570000000	1780727.000000000	1058241.640000000	1639863.390000000	3337154.700000000	1595429.940000000	1741259.410000000	1856764.360000000
Uridine 5'-diphosphate	1453418.570000000	931598.830000000	461384.490000000	1131520.430000000	197329.960000000	1107701.740000000	818891.250000000	1589263.920000000	1221322.500000000
Uridine 5'-monophosphate	6362993.690000000	6814860.290000000	3001844.220000000	4300774.350000000	2802511.600000000	4763109.040000000	3575090.500000000	3982039.640000000	3049391.160000000
Uridine diphosphate glucose	929645.380000000	532624.120000000	277445.910000000	367384.380000000	299266.680000000	675949.270000000	311203.520000000	412782.900000000	189154.580000000
Uridine diphosphate-N-acetylglucosamine	1710441.420000000	1327292.560000000	749887.660000000	799999.870000000	405522.800000000	1069841.940000000	780441.120000000	788022.640000000	666304.230000000
Uridine triphosphate	605556.430000000	290753.310000000	215596.220000000	170278.730000000	0.000000000	105317.380000000	383765.590000000	480125.460000000	378210.140000000
Xanthine	28092288.540000000	24865516.310000000	20151042.470000000	14171017.690000000	10792067.430000000	28309616.870000000	14049262.760000000	14879264.670000000	19443035.050000000
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	RefMet name	KEGG ID
total iron content
2-Ketobutyric acid	3-methyl pyruvic acid	C00109
2,3-Diphosphoglyceric acid	2,3-Diphosphoglyceric acid	C01159
2'-Deoxyguanosine 5'-monophosphate	dGMP	C00362
3-Phosphoglyceric acid	3-Phosphoglyceric acid	C00197
4-Hydroxyproline	cis-4-hydroxyproline	C01157
4,5-Dihydroorotic acid	4,5-Dihydroorotic acid	C00337
5-Aminolevulinic acid	5-amino-levulinic acid	C00430
5-Thymidylic acid	dTMP	C00364
6-Phosphogluconic acid	6-Phosphogluconic acid	C00345
6-Phosphonoglucono-D-lactone	6-Phosphonoglucono-D-lactone	C01236
Acetoacetic acid	Acetoacetic acid	C00164
Acetylcholine	Acetylcholine	C01996
Adenine	Adenine	C00147
Adenosine	Adenosine	C00212
Adenylsuccinic acid	Adenylsuccinic acid	C03794
ADP	ADP	C00008
ADP-glucose	ADP-glucose	C00498
AICAR	AICAR	C04677
Allantoin	Allantoin	C01551
Alpha-ketoisovaleric acid	Ketoisovaleric acid	C00141
AMP	AMP	C00020
Anandamide	Arachidonoyl-EA	C11695
Argininosuccinic acid	Argininosuccinic acid	C03406
ATP	ATP	C00002
Betaine	Betaine	C00719
Carbamoyl phosphate	Carbamoylphosphate	C00169
CDP	CDP	C00112
Choline	Choline	C00114
cis-Aconitic acid	Cis-Aconitic acid	C00417
Citric acid	Citric acid	C00158
Citrulline	Citrulline	C00327
Creatine	Creatine	C00300
Creatinine	Creatinine	C00791
Cytidine	Cytidine	C00475
Cytidine monophosphate	CMP	C00055
Cytidine triphosphate	CTP	C00063
Cytosine	Cytosine	C00380
D-4'-Phosphopantothenate		C03492
D-Erythrose 4-phosphate	Erythrose 4-phosphate	C00279
D-Glyceraldehyde 3-phosphate	Glyceraldehyde-3-phosphate	C00118
D-Ribulose 5-phosphate	Ribulose-5-phosphate	C00199
D-Sedoheptulose 7-phosphate	Sedoheptulose 7-phosphate	C05382
dCDP	dCDP	C00705
dCMP	dCMP	C00239
dCTP	dCTP	C00458
Deoxyadenosine monophosphate	dAMP	C00360
Deoxyadenosine triphosphate	dATP	C00131
Deoxyguanosine	Deoxyguanosine	C00330
Deoxyuridine triphosphate	Deoxyuridine triphosphate	C00460
dGDP	dGDP	C00361
dGTP	dGTP	C00286
Dihydroxyacetone phosphate	Dihydroxyacetone phosphate	C00111
DL-O-Phosphoserine	DL-O-Phosphoserine	C01005
Dopamine	Dopamine	C03758
dUMP	dUMP	C00365
Epinephrine	Epinephrine	C00788
FAD	FAD	C00016
Flavin Mononucleotide	FMN	C00061
Fructose 1-phosphate	Fructose-1-phosphate	C01094
Fructose 1,6-bisphosphate	Fructose 1,6-bisphosphate	C00354
Fructose 6-phosphate	Fructose-6-phosphate	C00085
Fumaric acid	Fumaric acid	C00122
Galactonic acid	Galactonic acid	C00880
Gamma-Aminobutyric acid	Gamma-Aminobutyric acid	C00334
Gluconic acid	Gluconic acid	C00257
Gluconolactone	Gluconolactone	C00198
Glucosamine	Glucosamine	C00329
Glucosamine 6-phosphate	Glucosamine-6-phosphate	C00352
Glucosamine-1P		C06156
Glucose 6-phosphate	Glucose-6-phosphate	C00092
Glutathione	Glutathione	C00051
Glyceric acid	Glyceric acid	C00258
Glyceric acid 1,3-biphosphate	Glyceric acid	C00236
Glycerol 3-phosphate	sn-glycero-3-phosphate	C00093
Glycine	Glycine	C00037
Guanine	Guanine	C00242
Guanosine	Guanosine	C00387
Guanosine diphosphate	GDP	C00035
Guanosine monophosphate	GMP	C00144
Guanosine triphosphate	GTP	C00044
Histamine	Histamine	C00388
Homocysteine	Homocysteine	C05330
Hydroxypropionic acid	Hydroxypropionic acid	C01013
IDP	IDP	C00104
Inosine	Inosine	C00294
Inosinic acid	IMP	C00130
Isocitric acid	Isocitric acid	C00311
L-2-Hydroxyglutaric acid	2-hydroxyglutaric acid	C02630
L-Alanine	Alanine	C00041
L-Arginine	Arginine	C00062
L-Asparagine	Asparagine	C00152
L-Aspartic acid	Aspartic acid	C00049
L-Carnitine	Carnitine	C00318
L-Cystathionine	Cystathionine	C00542
L-Cysteine	Cysteine	C00097
L-Cystine	L-Cystine	C00491
L-Glutamic acid	Glutamic acid	C00025
L-Glutamine	Glutamine	C00064
L-Histidine	Histidine	C00135
L-Homoserine	Homoserine	C00263
L-Isoleucine	Isoleucine	C00407
L-Kynurenine	Kynurenine	C00328
L-Lactic acid	Lactic acid	C00186
L-Leucine	Leucine	C00123
L-Lysine	Lysine	C00047
L-Methionine	Methionine	C00073
L-Phenylalanine	Phenylalanine	C02057
L-Proline	Proline	C00148
L-Serine	Serine	C00065
L-Threonine	Threonine	C00188
L-Tryptophan	Tryptophan	C00078
L-Tyrosine	Tyrosine	C00082
L-Valine	Valine	C00183
Levulinic acid	Levulinic acid	C00430
Maleic acid	Maleic acid	C01384
Malic acid	Malic acid	C00149
Mevalonic acid	Mevalonic acid	C00418
N-Acetyl-b-D-galactosamine		C02262
N-Acetyl-L-alanine	N-Acetyalanine	C01073
N-Acetyl-L-aspartic acid	N-Acetylaspartic acid	C01042
N-Acetylaspartylglutamic acid	N-acetylAsp-Glu	C12270
N-Acetylgalactosamine	N-acetyl-D-galactosamine	C01074
N-Acetylglucosamine 6-phosphate	N-Acetyl-Glucosamine 6-Phosphate	C00357
N-Methyltryptamine	N-Methyltryptamine	C06213
NAD	NAD+	C00003
NADH	NADH	C00004
NADP	NADP+	C00006
NADPH	NADPH	C00005
Niacinamide	Niacinamide	C00153
Norepinephrine	Xi-Norepinephrine	C00547
Ornithine	Ornithine	C00077
Orotic acid	Orotic acid	C00295
Orotidylic acid	Orotidylic acid	C01103
Oxalacetic acid	Oxaloacetic acid	C00036
Oxidized glutathione	Oxidized glutathione	C00127
Oxoglutaric acid	Oxoglutaric acid	C00026
p-Octopamine	Octopamine	C04227
p-Synephrine		C04548
Pantothenic acid	Pantothenic acid	C00864
Phenylethylamine	Phenylethylamine	C05332
Phosphocreatine	Phosphocreatine	C02305
Phosphoenolpyruvic acid	Phosphoenolpyruvic acid	C00074
Phosphohydroxypyruvic acid	Phosphohydroxypyruvic acid	C03232
Phosphoribosyl pyrophosphate	Phosphoribosyl pyrophosphate	C00119
Phosphorylcholine	Choline phosphate	C00588
Putrescine	Putrescine	C00134
Pyruvic acid	Pyruvic acid	C00022
Ribose 1,5-bisphosphate	Ribose 1,5-bisphosphate	C00117
S-Adenosylhomocysteine	S-Adenosylhomocysteine	C00021
S-Adenosylmethionine	S-Adenosylmethionine	C00019
Serotonin	Serotonin	C00780
Spermidine	Spermidine	C00315
Spermine	Spermine	C00750
Succinic acid	Succinic acid	C00042
Succinic acid semialdehyde	Succinic acid semialdehyde	C00232
Thiamine	Thiamine	C00378
Thymidine	Thymidine	C00214
Thymidine 5'-triphosphate	dTTP	C00459
Thymine	Thymine	C00178
Tryptamine	Tryptamine	C00398
Tyramine	Tyramine	C00483
Uracil	Uracil	C00106
Ureidosuccinic acid	N-carbamoylaspartic acid	C00438
Uric acid	Uric acid	C00366
Uridine	Uridine	C00299
Uridine 5'-diphosphate	UDP	C00015
Uridine 5'-monophosphate	UMP	C00105
Uridine diphosphate glucose	UDP-glucose	C00029
Uridine diphosphate-N-acetylglucosamine	UDP-N-acetylglucosamine	C00203
Uridine triphosphate	UTP	C00075
Xanthine	Xanthine	C00385
METABOLITES_END
#END