#METABOLOMICS WORKBENCH Unok_20241119_004824 DATATRACK_ID:5381 STUDY_ID:ST003586 ANALYSIS_ID:AN005890 PROJECT_ID:PR002216
VERSION             	1
CREATED_ON             	November 21, 2024, 8:35 pm
#PROJECT
PR:PROJECT_TITLE                 	Metabolomics of the liver after administration of adenovirus associated with
PR:PROJECT_TITLE                 	metabolic liver zonation
PR:PROJECT_SUMMARY               	Metabolic zonation in the liver is broadly defined as spatiotemporal variability
PR:PROJECT_SUMMARY               	in the intra-hepatic distribution of nutrients. R-spondin3 (Rspo3) regulates
PR:PROJECT_SUMMARY               	metabolic features around hepatic central veins. Herein, we demonstrate that
PR:PROJECT_SUMMARY               	altered hepatic metabolic zonation due to Rspo3 contributes to maintaining
PR:PROJECT_SUMMARY               	systemic glucose metabolism and body composition via inter-organ communication
PR:PROJECT_SUMMARY               	mechanism. Hepatic Rspo3 induction in obesity improves obesity-associated
PR:PROJECT_SUMMARY               	features by restoring insulin sensitivity, reversing adipose tissue enlargement
PR:PROJECT_SUMMARY               	and reversing overstimulated adaptive thermogenesis. These remote effects partly
PR:PROJECT_SUMMARY               	consist of neuronal communication via the afferent vagus from the liver. In
PR:PROJECT_SUMMARY               	contrast, hepatic Rspo3 suppression exacerbates diabetes due to insulin
PR:PROJECT_SUMMARY               	resistance and develops fatty liver.
PR:INSTITUTE                     	Teikyo University
PR:LAST_NAME                     	Uno
PR:FIRST_NAME                    	Kenji
PR:ADDRESS                       	2-11-1 Kaga, Itabashi-ku, Tokyo
PR:EMAIL                         	unok@med.teikyo-u.ac.jp
PR:PHONE                         	81339641211
#STUDY
ST:STUDY_TITLE                   	Metabolomics of the murine liver
ST:STUDY_SUMMARY                 	To examine whether a molecule associated with metabolic liver zonation has an
ST:STUDY_SUMMARY                 	effect on systemic metabolism, we first administer adenoviruses expressing Rspo3
ST:STUDY_SUMMARY                 	or LacZ (control) into the murine liver. Then, by performing metabolome
ST:STUDY_SUMMARY                 	analyses, we compare the results of Rspo3-mice with those of LacZ-mice.
ST:INSTITUTE                     	Teikyo University
ST:LAST_NAME                     	Uno
ST:FIRST_NAME                    	Kenji
ST:ADDRESS                       	2-11-1 Kaga, Itabashi-ku, Tokyo
ST:EMAIL                         	unok@med.teikyo-u.ac.jp
ST:PHONE                         	81339641211
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
#FACTORS
#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           	-	ob-LacZ-1	Sample source:liver | Group:ob-LacZ	
SUBJECT_SAMPLE_FACTORS           	-	ob-LacZ-2	Sample source:liver | Group:ob-LacZ	
SUBJECT_SAMPLE_FACTORS           	-	ob-LacZ-3	Sample source:liver | Group:ob-LacZ	
SUBJECT_SAMPLE_FACTORS           	-	ob-LacZ-4	Sample source:liver | Group:ob-LacZ	
SUBJECT_SAMPLE_FACTORS           	-	ob-Rspo3-1	Sample source:liver | Group:ob-Rspo3	
SUBJECT_SAMPLE_FACTORS           	-	ob-Rspo3-2	Sample source:liver | Group:ob-Rspo3	
SUBJECT_SAMPLE_FACTORS           	-	ob-Rspo3-3	Sample source:liver | Group:ob-Rspo3	
SUBJECT_SAMPLE_FACTORS           	-	ob-Rspo3-4	Sample source:liver | Group:ob-Rspo3	
#COLLECTION
CO:COLLECTION_SUMMARY            	Liver tissues were rapidly removed on day 7 after adenovirus administration,
CO:COLLECTION_SUMMARY            	frozen on liquid nitrogen and stored at –80°C until further processing. Then,
CO:COLLECTION_SUMMARY            	liver samples were weighed at approximately 40mg and subjected to the experiment
CO:COLLECTION_SUMMARY            	of metabolomics.
CO:SAMPLE_TYPE                   	Liver
#TREATMENT
TR:TREATMENT_SUMMARY             	Recombinant adenoviruses expressing LacZ or Rspo3 were administered into the
TR:TREATMENT_SUMMARY             	liver of standard diet-fed ob/ob mice through tail vein injection. Liver tissues
TR:TREATMENT_SUMMARY             	were taken on day 7 after adenovirus administration, subjected to the experiment
TR:TREATMENT_SUMMARY             	of metabolomics.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Approximately 40 mg of frozen liver tissues were placed in a homogenization
SP:SAMPLEPREP_SUMMARY            	tube, along with zirconia beads (5mmφ and 3mmφ). These tissues with internal
SP:SAMPLEPREP_SUMMARY            	standards were homogenized with ice-cold acetonitrile:water (50:50) and
SP:SAMPLEPREP_SUMMARY            	centrifuged at 2,300 × g for 5 min at 4 °C. The supernatant was filtered
SP:SAMPLEPREP_SUMMARY            	through a 5-kDa cut-off filter (Ultrafree-MC-PLHCC, Human Metabolome
SP:SAMPLEPREP_SUMMARY            	Technologies, Japan) at 9,100 × g for 180 min at 4 °C. The filtrate was
SP:SAMPLEPREP_SUMMARY            	evaporated to dryness under vacuum and reconstituted in 50 µL of Milli-Q water
SP:SAMPLEPREP_SUMMARY            	for metabolome analysis at HMT.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	CE
CH:INSTRUMENT_NAME               	Agilent 7100 CE
CH:COLUMN_NAME                   	Fused silica capillary i.d. 50 um x 80 cm
CH:SOLVENT_A                     	Anion Buffer Solution (p/n : I3302-1023)
CH:SOLVENT_B                     	N/A
CH:FLOW_GRADIENT                 	N/A
CH:FLOW_RATE                     	N/A
CH:COLUMN_TEMPERATURE            	N/A
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Agilent 6230 TOF
MS:INSTRUMENT_TYPE               	TOF
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	NEGATIVE
MS:MS_COMMENTS                   	The spectrometer was scanned from m/z 50 to 1,000. Peaks were extracted using
MS:MS_COMMENTS                   	automatic integration software MasterHands (ver. 2.19.0.2 Keio University,
MS:MS_COMMENTS                   	Japan). Signal peaks corresponding to isotopomers, adduct ions, and other
MS:MS_COMMENTS                   	product ions of known metabolites were excluded, and remaining peaks were
MS:MS_COMMENTS                   	annotated with putative metabolites from the HMT metabolite database based on
MS:MS_COMMENTS                   	their migration times (MTs) and m/z values. The tolerance range for the peak
MS:MS_COMMENTS                   	annotation was configured at ±0.5 min for MT and ±10 ppm for m/z. In addition,
MS:MS_COMMENTS                   	peak areas were normalized against those of the internal standards and then the
MS:MS_COMMENTS                   	resultant relative area values were further normalized by sample amount.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	arbitrary unit
MS_METABOLITE_DATA_START
Samples	ob-LacZ-1	ob-LacZ-2	ob-LacZ-3	ob-LacZ-4	ob-Rspo3-1	ob-Rspo3-2	ob-Rspo3-3	ob-Rspo3-4									
Factors	Sample source:liver | Group:ob-LacZ	Sample source:liver | Group:ob-LacZ	Sample source:liver | Group:ob-LacZ	Sample source:liver | Group:ob-LacZ	Sample source:liver | Group:ob-Rspo3	Sample source:liver | Group:ob-Rspo3	Sample source:liver | Group:ob-Rspo3	Sample source:liver | Group:ob-Rspo3
Propionic acid	2.6E-04	N.D.	N.D.	N.D.	2.7E-04	3.1E-04	N.D.	3.0E-04									
Pyruvic acid	3.8E-03	3.5E-03	3.5E-03	3.4E-03	3.0E-03	3.1E-03	4.3E-03	2.7E-03									
Isobutyric acid"	1.5E-04	8.9E-05	1.2E-04	1.2E-04	2.9E-04	3.1E-04	2.1E-04	3.0E-04									
Lactic acid	2.9E-01	2.4E-01	2.5E-01	2.1E-01	2.5E-01	2.5E-01	2.4E-01	2.2E-01									
Valeric acid"	N.D.	N.D.	N.D.	N.D.	8.5E-05	8.0E-05	N.D.	9.7E-05									
2-Hydroxyisobutyric acid	N.D.	N.D.	N.D.	1.4E-04	1.9E-04	2.3E-04	2.2E-04	2.8E-04									
2-Hydroxybutyric acid	5.9E-04	7.2E-04	8.7E-04	4.6E-04	8.3E-04	6.1E-04	4.4E-04	5.7E-04									
3-Hydroxybutyric acid	3.0E-03	2.9E-03	2.6E-03	3.1E-03	4.5E-03	3.1E-03	4.1E-03	8.4E-03									
Fumaric acid	2.0E-03	1.6E-03	1.2E-03	1.3E-03	3.9E-03	4.1E-03	3.7E-03	4.2E-03									
Hexanoic acid	1.6E-04	1.4E-04	1.3E-04	1.4E-04	1.8E-04	2.1E-04	2.0E-04	1.8E-04									
N-Acetylglycine	N.D.	N.D.	N.D.	4.7E-05	9.6E-05	7.2E-05	9.2E-05	1.0E-04									
Succinic acid	1.6E-02	1.9E-02	1.3E-02	1.8E-02	2.3E-02	1.7E-02	1.6E-02	1.6E-02									
2-Hydroxyvaleric acid	2.3E-04	2.1E-04	1.8E-04	2.7E-04	6.7E-04	2.7E-04	3.2E-04	3.8E-04									
Isethionic acid	2.0E-03	2.0E-03	2.7E-03	2.4E-03	8.3E-04	1.5E-03	9.4E-04	8.3E-04									
5-Oxoproline	9.8E-04	8.4E-04	9.6E-04	1.3E-03	2.3E-03	2.6E-03	2.5E-03	3.8E-03									
Itaconic acid	N.D.	N.D.	N.D.	N.D.	4.0E-04	3.4E-04	3.1E-04	4.4E-04									
2-Oxohexanoic acid"	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	8.5E-05									
Heptanoic acid	1.0E-04	4.0E-05	N.D.	5.3E-05	N.D.	6.9E-05	7.6E-05	5.4E-05									
N-Acetylalanine	2.0E-04	1.3E-04	1.5E-04	2.0E-04	3.2E-04	4.0E-04	3.6E-04	5.8E-04									
Methylsuccinic acid"	2.8E-04	N.D.	4.0E-04	N.D.	N.D.	3.7E-04	N.D.	N.D.									
3-Ureidopropionic acid	2.9E-04	1.8E-04	2.1E-04	1.9E-04	7.6E-04	7.7E-04	6.1E-04	6.8E-04									
Malic acid	1.2E-02	8.9E-03	4.8E-03	4.6E-03	2.3E-02	2.4E-02	2.0E-02	2.5E-02									
m-Toluic acid"	1.7E-03	1.1E-03	1.0E-03	9.5E-04	1.1E-03	1.1E-03	1.5E-03	1.5E-03									
Ethanolamine phosphate	2.2E-03	1.7E-03	1.8E-03	1.8E-03	5.3E-03	5.0E-03	4.8E-03	6.2E-03									
N-Ethylmaleimide_+H2O	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.									
Octanoic acid	1.4E-04	1.2E-04	1.1E-04	1.0E-04	1.2E-04	1.5E-04	1.6E-04	1.4E-04									
4-Acetamidobutanoic acid	1.5E-04	2.2E-04	3.3E-04	1.8E-04	2.8E-04	3.8E-04	3.9E-04	2.1E-04									
2-Hydroxyglutaric acid	1.0E-03	8.8E-04	8.4E-04	1.1E-03	2.3E-03	1.7E-03	2.0E-03	1.8E-03									
Oxypurinol	N.D.	N.D.	N.D.	N.D.	N.D.	6.9E-05	N.D.	1.3E-04									
Pelargonic acid	3.7E-04	2.9E-04	2.9E-04	3.0E-04	2.9E-04	3.0E-04	3.2E-04	3.7E-04									
Terephthalic acid	1.6E-04	1.3E-04	1.2E-04	1.2E-04	1.3E-04	1.2E-04	1.6E-04	1.4E-04									
XA0012	1.2E-04	1.3E-04	1.6E-04	1.5E-04	2.1E-04	2.1E-04	1.7E-04	2.0E-04									
Phosphoenolpyruvic acid	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.									
Uric acid	8.9E-05	1.2E-04	7.0E-05	4.7E-05	1.9E-03	6.6E-04	6.0E-04	1.3E-03									
Dihydroxyacetone phosphate	2.4E-03	7.4E-04	9.2E-04	1.1E-03	2.5E-03	3.2E-03	3.4E-03	3.6E-03									
Glyceraldehyde 3-phosphate	N.D.	N.D.	N.D.	N.D.	7.4E-05	7.7E-05	6.6E-05	6.5E-05									
Glycerol 3-phosphate	1.3E-02	1.6E-02	1.5E-02	1.5E-02	2.0E-02	1.5E-02	1.7E-02	1.7E-02									
Decanoic acid	1.4E-04	1.0E-04	9.3E-05	1.6E-04	1.8E-04	1.3E-04	1.6E-04	1.2E-04									
N-Acetylleucine"	1.3E-04	1.3E-04	1.6E-04	1.1E-04	1.1E-04	1.2E-04	1.5E-04	1.1E-04									
cis-Aconitic acid	1.2E-04	9.2E-05	N.D.	N.D.	3.1E-04	2.3E-04	2.5E-04	3.3E-04									
N-Acetylasparagine	N.D.	7.9E-05	8.9E-05	N.D.	1.5E-04	9.8E-05	9.9E-05	N.D.									
Formiminoglutamic acid	N.D.	N.D.	N.D.	N.D.	1.1E-04	6.4E-05	9.6E-05	5.4E-05									
N-Acetylaspartic acid	N.D.	N.D.	N.D.	N.D.	2.3E-04	1.4E-04	1.1E-04	1.4E-04									
Ascorbic acid	1.6E-02	1.3E-02	1.4E-02	1.3E-02	3.3E-02	3.9E-02	3.5E-02	3.6E-02									
Hippuric acid	5.5E-05	7.3E-05	N.D.	6.9E-05	1.1E-04	5.0E-05	N.D.	N.D.									
Hydroxyphenyllactic acid"	2.3E-04	1.9E-04	2.8E-04	2.2E-04	1.1E-04	1.1E-04	1.3E-04	1.5E-04									
3-Phosphoglyceric acid	1.7E-04	1.8E-04	1.4E-04	9.5E-05	2.1E-04	1.7E-04	2.1E-04	2.1E-04									
XA0017	1.4E-04	1.0E-04	1.3E-04	1.2E-04	1.1E-04	7.8E-05	1.5E-04	1.0E-04									
N-Acetylglutamine	6.3E-04	9.6E-04	7.4E-04	6.9E-04	1.5E-03	1.3E-03	1.4E-03	1.1E-03									
Azelaic acid	7.5E-05	6.8E-05	N.D.	N.D.	7.1E-05	9.5E-05	N.D.	7.3E-05									
N-Acetylglutamic acid	7.6E-04	9.0E-04	1.1E-03	1.2E-03	2.4E-03	1.7E-03	2.5E-03	1.7E-03									
N-Acetylmethionine	1.8E-04	1.2E-04	1.1E-04	1.3E-04	3.6E-04	2.8E-04	2.4E-04	4.3E-04									
XA0019	1.5E-03	2.4E-03	1.6E-03	2.2E-03	3.2E-03	3.1E-03	3.6E-03	3.1E-03									
Citric acid	2.6E-03	1.8E-03	1.7E-03	1.6E-03	6.5E-03	4.5E-03	5.4E-03	7.5E-03									
Phenaceturic acid	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.	N.D.									
Glucuronic acid-1"	1.8E-04	2.9E-04	2.3E-04	2.2E-04	6.1E-04	5.4E-04	6.5E-04	6.0E-04									
Glucuronic acid-2"	1.6E-03	1.6E-03	1.4E-03	1.6E-03	1.4E-03	1.8E-03	1.7E-03	2.2E-03									
Gluconic acid	7.8E-03	8.7E-03	6.6E-03	6.2E-03	1.5E-02	1.2E-02	1.5E-02	1.5E-02									
Lauric acid	8.9E-04	5.7E-04	5.8E-04	7.0E-04	6.5E-04	5.9E-04	6.4E-04	6.3E-04									
"6,8-Thioctic acid"	N.D.	N.D.	N.D.	N.D.	6.5E-05	7.0E-05	5.7E-05	6.3E-05									
Glucaric acid	8.7E-05	8.0E-05	7.3E-05	6.0E-05	7.3E-05	N.D.	1.1E-04	N.D.									
Mucic acid	9.8E-05	1.6E-04	1.9E-04	1.9E-04	1.9E-04	2.3E-04	2.9E-04	2.3E-04									
3-Indoxylsulfuric acid	N.D.	6.0E-05	5.1E-05	4.8E-05	9.8E-05	N.D.	1.0E-04	8.3E-05									
Pantothenic acid	2.6E-04	2.1E-04	2.6E-04	2.4E-04	2.4E-04	3.5E-04	2.9E-04	4.3E-04									
Myristoleic acid	2.3E-04	2.0E-04	2.2E-04	2.6E-04	2.1E-04	2.4E-04	2.0E-04	2.3E-04									
Myristic acid	5.4E-04	4.6E-04	5.0E-04	5.3E-04	4.9E-04	6.3E-04	4.0E-04	4.8E-04									
Ribulose 5-phosphate	8.3E-03	8.1E-03	8.7E-03	8.0E-03	8.1E-03	8.2E-03	9.3E-03	8.8E-03									
Ribose 5-phosphate	9.6E-04	8.4E-04	7.4E-04	1.0E-03	1.4E-03	1.1E-03	1.6E-03	1.2E-03									
XA0033	4.9E-03	2.8E-03	5.3E-03	2.5E-03	8.4E-03	7.6E-03	7.6E-03	8.9E-03									
-Glu-Taurine	1.1E-04	6.8E-05	9.5E-05	1.1E-04	1.7E-04	2.6E-04	1.3E-04	2.5E-04									
Ascorbate 2-sulfate"	N.D.	N.D.	N.D.	N.D.	8.3E-05	9.1E-05	1.2E-04	N.D.									
XA0035	2.9E-04	3.0E-04	2.8E-04	2.3E-04	2.9E-04	3.1E-04	3.9E-04	2.8E-04									
Ascorbate 2-phosphate	1.2E-04	1.7E-04	9.7E-05	1.1E-04	1.1E-04	N.D.	1.1E-04	1.1E-04									
myo-Inositol 3-phosphate"	5.0E-04	4.8E-04	5.2E-04	4.9E-04	4.2E-04	3.5E-04	4.5E-04	5.1E-04									
Glucose 6-phosphate	1.7E-02	1.5E-02	1.3E-02	1.6E-02	2.5E-02	2.6E-02	2.7E-02	3.1E-02									
myo-Inositol 2-phosphate	3.2E-04	3.5E-04	3.2E-04	2.9E-04	3.4E-04	4.5E-04	3.9E-04	5.0E-04									
Fructose 6-phosphate	3.8E-03	3.3E-03	2.8E-03	3.7E-03	6.5E-03	6.8E-03	6.8E-03	7.9E-03									
Glucose 1-phosphate	3.4E-03	3.0E-03	2.7E-03	3.0E-03	3.2E-03	3.7E-03	3.5E-03	4.1E-03									
"2,3-Diphosphoglyceric acid"	1.3E-03	1.6E-03	1.6E-03	1.2E-03	3.8E-03	2.0E-03	2.9E-03	3.0E-03									
6-Phosphogluconic acid	7.8E-04	7.6E-04	6.3E-04	6.3E-04	9.0E-04	7.3E-04	7.2E-04	9.1E-04									
Xanthosine	3.1E-04	2.8E-04	2.9E-04	1.8E-04	3.4E-04	3.7E-04	3.0E-04	4.3E-04									
Orotidine	N.D.	N.D.	N.D.	N.D.	4.1E-05	4.2E-05	6.1E-05	N.D.									
Sedoheptulose 7-phosphate	7.1E-03	6.5E-03	5.6E-03	6.3E-03	8.7E-03	8.1E-03	7.8E-03	9.6E-03									
N-Acetylglucosamine 6-phosphate	1.5E-04	1.4E-04	1.7E-04	1.5E-04	2.6E-04	3.0E-04	2.9E-04	3.6E-04									
N-Acetylglucosamine 1-phosphate	1.6E-04	1.5E-04	1.7E-04	1.1E-04	1.4E-04	1.7E-04	2.3E-04	2.2E-04									
N-Acetylneuraminic acid	1.2E-04	1.2E-04	1.2E-04	1.3E-04	2.3E-04	1.9E-04	2.0E-04	2.3E-04									
"Ribulose 1,5-diphosphate"	9.9E-05	7.9E-05	N.D.	N.D.	1.2E-04	N.D.	1.0E-04	N.D.									
CMP	1.2E-03	1.4E-03	1.4E-03	1.5E-03	1.3E-03	1.3E-03	1.7E-03	1.4E-03									
UMP	9.9E-03	9.0E-03	9.6E-03	9.1E-03	8.7E-03	9.0E-03	1.1E-02	1.1E-02									
N-Glycolylneuraminic acid	6.9E-04	6.1E-04	4.2E-04	5.2E-04	1.1E-03	1.0E-03	9.5E-04	1.0E-03									
5-Aminoimidazole-4-carboxamide ribotide	7.4E-05	6.5E-05	8.3E-05	4.5E-05	N.D.	5.6E-05	5.9E-05	N.D.									
Ascorbate 2-glucoside	1.8E-04	1.6E-04	1.7E-04	1.9E-04	2.4E-04	3.9E-04	3.2E-04	3.5E-04									
"Fructose 1,6-diphosphate"	8.8E-04	2.8E-04	3.5E-04	4.0E-04	2.2E-03	3.2E-03	2.7E-03	3.9E-03									
AMP	6.3E-02	6.9E-02	5.9E-02	6.9E-02	6.6E-02	6.7E-02	7.1E-02	5.3E-02									
IMP	7.3E-03	6.8E-03	8.7E-03	5.7E-03	5.3E-03	6.2E-03	8.2E-03	1.2E-02									
GMP	9.0E-03	9.0E-03	8.4E-03	9.4E-03	9.8E-03	1.0E-02	1.1E-02	9.9E-03									
XA0055	4.2E-04	N.D.	1.5E-04	1.9E-04	9.3E-04	1.4E-03	1.1E-03	1.9E-03									
NADPH_divalent	1.3E-04	1.2E-04	1.2E-04	1.7E-04	N.D.	N.D.	1.0E-04	N.D.									
CoA_divalent	4.7E-03	4.3E-03	4.8E-03	4.7E-03	3.5E-03	3.2E-03	4.6E-03	2.9E-03									
FAD_divalent	5.8E-04	6.3E-04	6.3E-04	7.2E-04	6.0E-04	5.6E-04	6.2E-04	6.0E-04									
CDP	N.D.	N.D.	6.5E-05	5.8E-05	4.3E-05	N.D.	N.D.	N.D.									
UDP	2.6E-04	2.4E-04	2.4E-04	2.6E-04	2.2E-04	1.6E-04	2.0E-04	1.5E-04									
Acetyl CoA_divalent	1.0E-04	1.3E-04	1.2E-04	6.8E-05	7.3E-05	N.D.	N.D.	N.D.									
Cholic acid	1.2E-04	2.3E-04	1.6E-04	2.8E-04	1.6E-03	2.5E-04	1.4E-03	1.7E-03									
Isobutyryl CoA_divalent	8.9E-05	6.3E-05	7.0E-05	8.1E-05	9.3E-05	6.1E-05	6.1E-05	N.D.									
Thiamine diphosphate	1.3E-04	1.5E-04	8.7E-05	7.9E-05	4.8E-05	N.D.	N.D.	N.D.									
Adenosine 5'-phosphosulfate	6.3E-05	5.5E-05	6.3E-05	5.7E-05	N.D.	N.D.	N.D.	N.D.									
ADP	1.1E-02	1.2E-02	1.2E-02	1.1E-02	7.2E-03	6.8E-03	9.0E-03	6.0E-03									
GDP	4.9E-04	5.5E-04	4.7E-04	4.9E-04	6.2E-04	5.7E-04	6.0E-04	5.8E-04									
XA0065	9.5E-04	9.4E-04	1.2E-03	8.6E-04	9.0E-04	8.5E-04	9.5E-04	1.2E-03									
Adenylosuccinic acid	1.5E-03	1.5E-03	1.4E-03	1.5E-03	2.9E-03	3.4E-03	3.3E-03	3.0E-03									
Glycocholic acid	N.D.	N.D.	3.4E-05	4.9E-05	6.1E-05	N.D.	N.D.	N.D.									
CDP-choline	4.8E-04	5.2E-04	5.2E-04	3.5E-04	4.3E-04	5.6E-04	4.2E-04	5.9E-04									
ATP	1.3E-03	1.5E-03	1.7E-03	1.6E-03	7.7E-04	5.2E-04	1.0E-03	5.7E-04									
Taurocholic acid	4.1E-02	5.1E-02	4.2E-02	5.5E-02	6.1E-02	3.2E-02	2.8E-02	4.0E-02									
GTP	6.5E-05	6.3E-05	N.D.	5.7E-05	N.D.	N.D.	N.D.	N.D.									
ADP-ribose	4.5E-03	6.1E-03	4.1E-03	3.4E-03	2.0E-03	8.7E-04	1.8E-03	1.8E-04									
dTDP-glucose	1.1E-04	9.6E-05	1.2E-04	1.0E-04	1.2E-04	1.4E-04	1.6E-04	1.6E-04									
UDP-glucose"	1.3E-02	1.3E-02	1.1E-02	1.2E-02	2.1E-02	2.3E-02	1.9E-02	1.9E-02									
UDP-glucuronic acid	1.2E-02	1.5E-02	1.0E-02	9.9E-03	1.6E-02	1.1E-02	1.5E-02	1.4E-02									
ADP-glucose"	2.1E-04	1.9E-04	1.8E-04	2.1E-04	2.9E-04	3.0E-04	3.1E-04	3.3E-04									
GDP-glucose"	4.9E-04	5.3E-04	4.3E-04	4.7E-04	4.6E-04	4.8E-04	4.1E-04	3.7E-04									
UDP-N-acetylglucosamine"	6.1E-03	6.0E-03	6.8E-03	7.3E-03	9.7E-03	9.6E-03	1.0E-02	1.2E-02									
CMP-N-acetylneuraminate	5.1E-05	5.5E-05	N.D.	4.7E-05	1.4E-04	1.1E-04	1.4E-04	1.5E-04									
NAD+	1.5E-03	3.4E-03	2.0E-03	2.0E-03	9.4E-04	5.9E-04	8.6E-04	4.6E-04									
3'-Dephospho CoA	1.1E-03	8.0E-04	1.0E-03	1.0E-03	1.2E-03	1.3E-03	1.4E-03	1.4E-03									
NADP+	5.7E-04	9.1E-04	7.7E-04	8.1E-04	7.5E-04	6.7E-04	1.1E-03	6.1E-04
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name
Propionic acid
Pyruvic acid
Isobutyric acid"
Lactic acid
Valeric acid"
2-Hydroxyisobutyric acid
2-Hydroxybutyric acid
3-Hydroxybutyric acid
Fumaric acid
Hexanoic acid
N-Acetylglycine
Succinic acid
2-Hydroxyvaleric acid
Isethionic acid
5-Oxoproline
Itaconic acid
2-Oxohexanoic acid"
Heptanoic acid
N-Acetylalanine
Methylsuccinic acid"
3-Ureidopropionic acid
Malic acid
m-Toluic acid"
Ethanolamine phosphate
N-Ethylmaleimide_+H2O
Octanoic acid
4-Acetamidobutanoic acid
2-Hydroxyglutaric acid
Oxypurinol
Pelargonic acid
Terephthalic acid
XA0012
Phosphoenolpyruvic acid
Uric acid
Dihydroxyacetone phosphate
Glyceraldehyde 3-phosphate
Glycerol 3-phosphate
Decanoic acid
N-Acetylleucine"
cis-Aconitic acid
N-Acetylasparagine
Formiminoglutamic acid
N-Acetylaspartic acid
Ascorbic acid
Hippuric acid
Hydroxyphenyllactic acid"
3-Phosphoglyceric acid
XA0017
N-Acetylglutamine
Azelaic acid
N-Acetylglutamic acid
N-Acetylmethionine
XA0019
Citric acid
Phenaceturic acid
Glucuronic acid-1"
Glucuronic acid-2"
Gluconic acid
Lauric acid
"6,8-Thioctic acid"
Glucaric acid
Mucic acid
3-Indoxylsulfuric acid
Pantothenic acid
Myristoleic acid
Myristic acid
Ribulose 5-phosphate
Ribose 5-phosphate
XA0033
-Glu-Taurine
Ascorbate 2-sulfate"
XA0035
Ascorbate 2-phosphate
myo-Inositol 3-phosphate"
Glucose 6-phosphate
myo-Inositol 2-phosphate
Fructose 6-phosphate
Glucose 1-phosphate
"2,3-Diphosphoglyceric acid"
6-Phosphogluconic acid
Xanthosine
Orotidine
Sedoheptulose 7-phosphate
N-Acetylglucosamine 6-phosphate
N-Acetylglucosamine 1-phosphate
N-Acetylneuraminic acid
"Ribulose 1,5-diphosphate"
CMP
UMP
N-Glycolylneuraminic acid
5-Aminoimidazole-4-carboxamide ribotide
Ascorbate 2-glucoside
"Fructose 1,6-diphosphate"
AMP
IMP
GMP
XA0055
NADPH_divalent
CoA_divalent
FAD_divalent
CDP
UDP
Acetyl CoA_divalent
Cholic acid
Isobutyryl CoA_divalent
Thiamine diphosphate
Adenosine 5'-phosphosulfate
ADP
GDP
XA0065
Adenylosuccinic acid
Glycocholic acid
CDP-choline
ATP
Taurocholic acid
GTP
ADP-ribose
dTDP-glucose
UDP-glucose"
UDP-glucuronic acid
ADP-glucose"
GDP-glucose"
UDP-N-acetylglucosamine"
CMP-N-acetylneuraminate
NAD+
3'-Dephospho CoA
NADP+
METABOLITES_END
#END