#METABOLOMICS WORKBENCH Masatomo_Takahashi_20230525_050334 DATATRACK_ID:4042 STUDY_ID:ST002729 ANALYSIS_ID:AN004423
VERSION                          	1
CREATED_ON                       	11-09-2023
#PROJECT
PR:PROJECT_TITLE                 	Role of AICARP, an endogenous AMPK activator, in improved endurance capacity in
PR:PROJECT_TITLE                 	diabetic mice during SGLT2 inhibition.
PR:PROJECT_TYPE                  	Wide targeted metabolomics & lipidomics
PR:PROJECT_SUMMARY               	Diabetes is often associated with increased risk of deleterious muscle mass and
PR:PROJECT_SUMMARY               	function or sarcopenia, thus leading to physical inactivity and metabolic
PR:PROJECT_SUMMARY               	disorders. Sodium-glucose cotransporter 2 (SGLT2) inhibitors are an oral
PR:PROJECT_SUMMARY               	antidiabetic drug that promotes urinary excretion of glucose in the renal
PR:PROJECT_SUMMARY               	proximal tubules. However, how SGLT2 inhibition affects the skeletal muscle
PR:PROJECT_SUMMARY               	function in patients with diabetes remains elusive. Here, we examined the
PR:PROJECT_SUMMARY               	differential effect of CANA on the oxidative soleus and glycolytic EDL muscles
PR:PROJECT_SUMMARY               	from genetically obese diabetic db/db mice.
PR:INSTITUTE                     	Medical Institute of Bioregulation, Kyushu University
PR:DEPARTMENT                    	Metabolomics
PR:LABORATORY                    	Bamba lab.
PR:LAST_NAME                     	Takahashi
PR:FIRST_NAME                    	Masatomo
PR:ADDRESS                       	Maidashi 3-1-1, Higashi-ku, Fukuoka, Fukuoka, 8128582, Japan
PR:EMAIL                         	m-takahashi@bioreg.kyushu-u.ac.jp
PR:PHONE                         	0926426171
PR:PUBLICATIONS                  	https://onlinelibrary.wiley.com/doi/full/10.1002/jcsm.13350
PR:DOI                           	http://dx.doi.org/10.21228/M8VT66
#STUDY
ST:STUDY_TITLE                   	Improved Endurance Capacity of Diabetic Mice during SGLT2 Inhibition: Potential
ST:STUDY_TITLE                   	Role of AICARP, an Endogenous AMPK Activator.
ST:STUDY_SUMMARY                 	Diabetes is associated with an increased risk of deleterious changes in muscle
ST:STUDY_SUMMARY                 	mass and function or sarcopenia, leading to physical inactivity and worsening
ST:STUDY_SUMMARY                 	glycemic control. Given the negative energy balance during sodium-glucose
ST:STUDY_SUMMARY                 	cotransporter 2 (SGLT2) inhibition, whether SGLT2 inhibitors affect skeletal
ST:STUDY_SUMMARY                 	muscle mass and function is a matter of concern. However, how SGLT2 inhibition
ST:STUDY_SUMMARY                 	affects the skeletal muscle function in patients with diabetes remains
ST:STUDY_SUMMARY                 	insufficiently explored. We aimed to explore the effects of canagliflozin
ST:STUDY_SUMMARY                 	(CANA), an SGLT2 inhibitor, on skeletal muscles in genetically diabetic db/db
ST:STUDY_SUMMARY                 	mice.
ST:INSTITUTE                     	Medical Institute of Bioregulation, Kyushu University
ST:LAST_NAME                     	Takahashi
ST:FIRST_NAME                    	Masatomo
ST:ADDRESS                       	Maidashi 3-1-1, Higashi-ku, Fukuoka, Fukuoka, 8128582, Japan
ST:EMAIL                         	m-takahashi@bioreg.kyushu-u.ac.jp
ST:PHONE                         	0926426171
ST:SUBMIT_DATE                   	2023-05-25
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	-	13	Animal:db/db | Treatment:Cana	RAW_FILE_NAME=13
SUBJECT_SAMPLE_FACTORS           	-	14	Animal:db/db | Treatment:Cana	RAW_FILE_NAME=14
SUBJECT_SAMPLE_FACTORS           	-	15	Animal:db/db | Treatment:Cana	RAW_FILE_NAME=15
SUBJECT_SAMPLE_FACTORS           	-	16	Animal:db/db | Treatment:Cana	RAW_FILE_NAME=16
SUBJECT_SAMPLE_FACTORS           	-	61	Animal:db/db | Treatment:Cana	RAW_FILE_NAME=61
SUBJECT_SAMPLE_FACTORS           	-	62	Animal:db/db | Treatment:Cana	RAW_FILE_NAME=62
SUBJECT_SAMPLE_FACTORS           	-	63	Animal:db/db | Treatment:Cana	RAW_FILE_NAME=63
SUBJECT_SAMPLE_FACTORS           	-	64	Animal:db/db | Treatment:Cana	RAW_FILE_NAME=64
SUBJECT_SAMPLE_FACTORS           	-	10	Animal:db/db | Treatment:vehicle	RAW_FILE_NAME=10
SUBJECT_SAMPLE_FACTORS           	-	11	Animal:db/db | Treatment:vehicle	RAW_FILE_NAME=11
SUBJECT_SAMPLE_FACTORS           	-	12	Animal:db/db | Treatment:vehicle	RAW_FILE_NAME=12
SUBJECT_SAMPLE_FACTORS           	-	57	Animal:db/db | Treatment:vehicle	RAW_FILE_NAME=57
SUBJECT_SAMPLE_FACTORS           	-	58	Animal:db/db | Treatment:vehicle	RAW_FILE_NAME=58
SUBJECT_SAMPLE_FACTORS           	-	59	Animal:db/db | Treatment:vehicle	RAW_FILE_NAME=59
SUBJECT_SAMPLE_FACTORS           	-	60	Animal:db/db | Treatment:vehicle	RAW_FILE_NAME=60
SUBJECT_SAMPLE_FACTORS           	-	9	Animal:db/db | Treatment:vehicle	RAW_FILE_NAME=9
SUBJECT_SAMPLE_FACTORS           	-	21	Animal:db/+ | Treatment:Cana	RAW_FILE_NAME=21
SUBJECT_SAMPLE_FACTORS           	-	22	Animal:db/+ | Treatment:Cana	RAW_FILE_NAME=22
SUBJECT_SAMPLE_FACTORS           	-	23	Animal:db/+ | Treatment:Cana	RAW_FILE_NAME=23
SUBJECT_SAMPLE_FACTORS           	-	24	Animal:db/+ | Treatment:Cana	RAW_FILE_NAME=24
SUBJECT_SAMPLE_FACTORS           	-	5	Animal:db/+ | Treatment:Cana	RAW_FILE_NAME=5
SUBJECT_SAMPLE_FACTORS           	-	6	Animal:db/+ | Treatment:Cana	RAW_FILE_NAME=6
SUBJECT_SAMPLE_FACTORS           	-	7	Animal:db/+ | Treatment:Cana	RAW_FILE_NAME=7
SUBJECT_SAMPLE_FACTORS           	-	8	Animal:db/+ | Treatment:Cana	RAW_FILE_NAME=8
SUBJECT_SAMPLE_FACTORS           	-	1	Animal:db/+ | Treatment:vehicle	RAW_FILE_NAME=1
SUBJECT_SAMPLE_FACTORS           	-	17	Animal:db/+ | Treatment:vehicle	RAW_FILE_NAME=17
SUBJECT_SAMPLE_FACTORS           	-	18	Animal:db/+ | Treatment:vehicle	RAW_FILE_NAME=18
SUBJECT_SAMPLE_FACTORS           	-	19	Animal:db/+ | Treatment:vehicle	RAW_FILE_NAME=19
SUBJECT_SAMPLE_FACTORS           	-	2	Animal:db/+ | Treatment:vehicle	RAW_FILE_NAME=2
SUBJECT_SAMPLE_FACTORS           	-	20	Animal:db/+ | Treatment:vehicle	RAW_FILE_NAME=20
SUBJECT_SAMPLE_FACTORS           	-	3	Animal:db/+ | Treatment:vehicle	RAW_FILE_NAME=3
SUBJECT_SAMPLE_FACTORS           	-	4	Animal:db/+ | Treatment:vehicle	RAW_FILE_NAME=4
SUBJECT_SAMPLE_FACTORS           	-	49	Animal:db/+ | Treatment:vehicle	RAW_FILE_NAME=49
SUBJECT_SAMPLE_FACTORS           	-	50	Animal:db/+ | Treatment:vehicle	RAW_FILE_NAME=50
SUBJECT_SAMPLE_FACTORS           	-	51	Animal:db/+ | Treatment:vehicle	RAW_FILE_NAME=51
SUBJECT_SAMPLE_FACTORS           	-	52	Animal:db/+ | Treatment:vehicle	RAW_FILE_NAME=52
#COLLECTION
CO:COLLECTION_SUMMARY            	All mice were housed in a pathogen-free facility and maintained on a 12-h light
CO:COLLECTION_SUMMARY            	and 12-h dark cycle with free access to normal chow diet and water. CANA was
CO:COLLECTION_SUMMARY            	mixed at 0.03% (w/w) with CRF-1 and administered to 8-week-old db/+ and db/db
CO:COLLECTION_SUMMARY            	mice for 4 weeks. Food intake was calculated for 3 consecutive days each week
CO:COLLECTION_SUMMARY            	using the mouse feeder MF-4S. At the end of the experiments, 6 h-fasted mice
CO:COLLECTION_SUMMARY            	were anesthetized with isoflurane and blood samples were obtained from the
CO:COLLECTION_SUMMARY            	inferior vena cava. Skeletal muscles including soleus and extensor digitorum
CO:COLLECTION_SUMMARY            	longus were immediately frozen and stored at -80°C for metabolome and lipidome
CO:COLLECTION_SUMMARY            	analysis.
CO:SAMPLE_TYPE                   	Skeletal muscles
#TREATMENT
TR:TREATMENT_SUMMARY             	All mice were free access to normal chow diet and water. CANA was mixed at 0.03%
TR:TREATMENT_SUMMARY             	(w/w) with CRF-1 and administered to 8-week-old db/+ and db/db mice for 4 weeks.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Metabolites were extracted from frozen and crushed skeletal muscle (~10 mg) or
SP:SAMPLEPREP_SUMMARY            	serum (20 uL) with 1 mL of solvent mixture (methanol:chloroform:water = 10:4:4,
SP:SAMPLEPREP_SUMMARY            	v/v/v) containing piperazine-1,4-bis (2-ethanesulfonic acid) (PIPES) (0.63
SP:SAMPLEPREP_SUMMARY            	umol/L), 2-bromohypoxanthine (0.13 umol/L), free fatty acid (FA) 16:0 (13C16)
SP:SAMPLEPREP_SUMMARY            	(0.13 umol/L), diacylglycerol (DG) 15:0-18:1 (d7) (0.15 umol/L), and
SP:SAMPLEPREP_SUMMARY            	triacylglycerol (TG) 15:0-18:1 (d7) -15:0 (0.35 umol/L) as internal standards.
SP:SAMPLEPREP_SUMMARY            	The samples were vigorously mixed for 1 min and sonicated for 5 min. The
SP:SAMPLEPREP_SUMMARY            	extracts were then centrifuged at 16,000 × g for 5 min at 4°C, and the
SP:SAMPLEPREP_SUMMARY            	resultant supernatant was collected. Protein concentrations in the pellets were
SP:SAMPLEPREP_SUMMARY            	determined using a Pierce BCA Protein Assay Kit (Thermo Fisher Scientific,
SP:SAMPLEPREP_SUMMARY            	Massachusetts, USA). The collected supernatant (700 uL) was mixed with 235 uL of
SP:SAMPLEPREP_SUMMARY            	chloroform, and 155 uL of water, and then centrifuged at 16,000 × g for 5 min
SP:SAMPLEPREP_SUMMARY            	at 4°C. The aqueous (upper) layer (400 µL) was evaporated under vacuum, dried
SP:SAMPLEPREP_SUMMARY            	extracts were stored at −80°C until targeted polar metablome analysis. Prior
SP:SAMPLEPREP_SUMMARY            	to analysis, the dried aqueous layer was reconstituted in 50 uL of water. The
SP:SAMPLEPREP_SUMMARY            	organic (lower) layer (200 µL) was dried under a nitrogen stream, dried
SP:SAMPLEPREP_SUMMARY            	extracts were stored at −80°C until targeted lipidome analysis. Prior to
SP:SAMPLEPREP_SUMMARY            	analysis, the organic aqueous layer was reconstituted in 80 µL of
SP:SAMPLEPREP_SUMMARY            	methanol/chloroform (1/1, v/v)
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	Anionic polar metabolites (i.e., organic acids, sugar phosphates, nucleotides,
CH:CHROMATOGRAPHY_SUMMARY        	etc.) were analyzed via IC/HRMS/MS.
CH:INSTRUMENT_NAME               	Thermo Dionex ICS-5000+
CH:COLUMN_NAME                   	Dionex IonPac AS11-HC (250 x 2mm,4um)
CH:COLUMN_TEMPERATURE            	30℃
CH:FLOW_GRADIENT                 	10-100%A, 0-24.0 min, 100%A, 24.0-27.0 min, 100-10%A, 27.0-27.1 min, 10%A,
CH:FLOW_GRADIENT                 	27.1-35.0 min
CH:FLOW_RATE                     	0.3 mL/min
CH:SOLVENT_A                     	100 mM KOH in H2O
CH:SOLVENT_B                     	1 mM ammonium acetate in MeOH
CH:CHROMATOGRAPHY_TYPE           	Ion exchange
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:MS_COMMENTS                   	MS acquisition: FullMS (posi/nega) Data processing/software: Reifycs Cascade
MS:MS_COMMENTS                   	ver. 1.0
MS:ION_MODE                      	UNSPECIFIED
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	relative peak area
MS_METABOLITE_DATA_START
Samples	13	14	15	16	61	62	63	64	10	11	12	57	58	59	60	9	21	22	23	24	5	6	7	8	1	17	18	19	2	20	3	4	49	50	51	52
Factors	Animal:db/db | Treatment:Cana	Animal:db/db | Treatment:Cana	Animal:db/db | Treatment:Cana	Animal:db/db | Treatment:Cana	Animal:db/db | Treatment:Cana	Animal:db/db | Treatment:Cana	Animal:db/db | Treatment:Cana	Animal:db/db | Treatment:Cana	Animal:db/db | Treatment:vehicle	Animal:db/db | Treatment:vehicle	Animal:db/db | Treatment:vehicle	Animal:db/db | Treatment:vehicle	Animal:db/db | Treatment:vehicle	Animal:db/db | Treatment:vehicle	Animal:db/db | Treatment:vehicle	Animal:db/db | Treatment:vehicle	Animal:db/+ | Treatment:Cana	Animal:db/+ | Treatment:Cana	Animal:db/+ | Treatment:Cana	Animal:db/+ | Treatment:Cana	Animal:db/+ | Treatment:Cana	Animal:db/+ | Treatment:Cana	Animal:db/+ | Treatment:Cana	Animal:db/+ | Treatment:Cana	Animal:db/+ | Treatment:vehicle	Animal:db/+ | Treatment:vehicle	Animal:db/+ | Treatment:vehicle	Animal:db/+ | Treatment:vehicle	Animal:db/+ | Treatment:vehicle	Animal:db/+ | Treatment:vehicle	Animal:db/+ | Treatment:vehicle	Animal:db/+ | Treatment:vehicle	Animal:db/+ | Treatment:vehicle	Animal:db/+ | Treatment:vehicle	Animal:db/+ | Treatment:vehicle	Animal:db/+ | Treatment:vehicle	
1_5-Anhydro-D-glucitol	0.3482	0.3898	0.4783	0.4156	0.0571	0.0843	0.0835	0.1155	0.0155	0.0117	0.0145	0.1223	0.3273	0.6942	0.3499	0.0134	0.0122	0.0138	0.0109	0.0150	0.0220	0.0248	0.0430	0.0253	0.3022	0.0208	0.0302	0.0457	0.3333	0.0298	0.4691	0.2864	3.7509	6.2217	2.0848	2.8088
1_6-Anhydro-beta-D-glucose	0.7045	0.7060	0.5135	0.5231	50.9153	49.8738	61.3822	63.5162	0.9560	0.6682	0.5635	101.9760	95.9830	115.2039	136.3976	0.7338	1.0932	0.9930	0.8763	0.7067	2.3280	1.2215	1.5891	1.6535	0.5412	2.1587	1.9168	1.7367	0.4310	1.8884	0.2925	0.9806	53.2353	69.5354	8.6000	23.6607
2_3-Bisphosphoglycerate	1.3976	1.6699	1.7224	1.6345	4.2937	2.5444	2.7760	10.2791	2.3995	1.8679	1.1221	3.5338	13.1026	6.1450	5.9216	1.8220	1.4467	1.2589	1.7417	1.3943	1.7883	2.8403	1.4431	1.7979	1.1208	1.0918	2.2489	1.6016	1.6615	2.0753	0.8817	1.1960	12.2334	7.8611	0.9328	2.4925
2_3-Pyridinedicarboxylic acid					0.0732	0.0640	0.0827	0.0887				0.0704	0.0595	0.2226	0.0899																		0.0894	0.0598	0.1522	0.1409
2^-Deoxycytidine 5^-monophosphate																																				
2-deoxyribose 5-phosphate																																				
2^-Deoxyuridine 5^-phosphate																																				
2-Ethylhexanoic acid					4.5529	3.3517	4.1498	10.8312				3.4281	7.4962	6.2885	10.8274																		2.8319	7.1527	1.2200	2.6658
2-Hydroxy-3-methylbutyric acid	0.2897	0.1681	0.6153	0.1472	4.9703	5.4109	5.7286	8.4661	0.1825	0.1742	0.2029	10.2514	7.5952	15.9193	9.9204	0.1596	0.1594	0.1441	0.1745	0.1947	0.3079	0.1613	0.3557	0.1555	0.2773	0.2803	0.1782	0.3394	0.1688	0.1624	0.6535	0.1209	11.9423	9.0940	8.7465	9.0060
2-Hydroxy glutaric acid	1.4385	1.2614	1.3734	1.2310	1.9063	1.8592	2.0948	3.7352	4.4860	3.3592	3.8981	1.9863	2.4381	4.7959	2.9526	3.9740	1.4292	1.2891	1.2376	1.2983	5.4312	4.7260	4.7794	3.2027	4.7278	1.2693	1.2231	1.4336	3.7353	1.4439	6.2063	4.0357	3.5678	2.6710	1.7234	1.8469
2-Ketoadipic acid					0.0898	0.1114	0.1521	0.1512				0.1005	0.1973	0.3282	0.1101																		0.1310	0.1578	0.0795	0.0940
2-Ketoglutaric acid	1.7980	1.6062	1.8191	1.7755	11.5043	9.9573	15.4239	24.0171	2.3845	1.7569	1.9239	7.9953	15.3714	33.2291	15.3652	1.9266	1.6132	1.8053	1.4196	1.6731	2.1949	2.0535	2.4115	1.7715	2.0737	1.5690	1.7132	1.7257	2.4448	1.4345	2.6367	2.2316	12.2667	17.9936	4.5685	6.8798
2-Phospho-D-glyceric acid	5.5808	8.1809	11.8159	5.3310	0.9532	0.7633	0.4708	1.5673	6.3015	7.0389	6.1664	0.7768	1.5541	1.0485	0.8948	7.5857	4.8408	7.0244	6.3739	6.2040	6.9973	6.5786	7.9571	6.5839	6.0497	8.1392	6.8831	6.9419	6.5731	8.3146	5.5513	5.1830	1.9145	1.2284	0.2449	0.4723
3-Hydroxy-3-methylglutaric acid	0.0720	0.0480	0.0515	0.0365	0.5054	0.7900	0.6586	1.4228	0.0594	0.0454	0.0435	0.5338	0.5650	1.2607	0.6462	0.0300	0.0356	0.0437	0.0417	0.0408	0.0506	0.0342	0.0683	0.0346	0.0534	0.0498	0.0548	0.0477	0.0384	0.0364	0.0782	0.0383	0.7507	0.5368	1.1192	0.9510
5-aminoimidazole-4-carboxamide-1-β-D-ribofuranosyl 5^-monophosphate									0.0079	0.0132	0.0139					0.0108	0.0083	0.0041		0.0046		0.0033	0.0078	0.0050	0.0063	0.0065	0.0038	0.0080		0.0064		0.0147				
6-Phosphogluconic acid	0.1990	0.1727	0.1359	0.1743					0.2338	0.1059	0.0849					0.0932	0.1902	0.2775	0.1172	0.1175	0.0643	0.0928	0.0778	0.1466	0.1084	0.2314	0.1891	0.1157	0.0747	0.1195	0.0856	0.2072				
Acetylglycine	0.1541	0.1117	0.2931	0.1709	3.4480	5.1286	3.7798	6.1617	0.1613	0.1178	0.1329	1.9548	1.8456	2.3862	2.8397	0.1118	0.1141	0.1386	0.1173	0.1302	0.0928	0.0566	0.0594	0.0559	0.1463	0.0717	0.0673	0.0614	0.1131	0.0716	0.3369	0.1639	5.4801	5.1436	4.1008	4.2887
Adenosine 3^_5^-cyclic monophosphate	0.0118	0.0230	0.0169	0.0122					0.0357	0.0133	0.0191					0.0183	0.0323	0.0176	0.0248	0.0296	0.0201	0.0183	0.0199	0.0197	0.0161	0.0205	0.0278	0.0245	0.0137	0.0215	0.0154	0.0075				
Adenosine 5^-diphosphate	23.5731	24.0857	19.3918	28.1015					17.1857	12.6049	15.7252					13.7589	15.9710	17.0256	19.2485	21.9305	15.2991	18.5121	17.1668	15.1534	18.7019	17.1568	13.1754	14.2056	19.1006	19.0636	21.1130	8.7226	0.1303	0.0881	0.0146	0.0270
Adenosine 5^-diphosphate ribose	0.6061	0.6278	0.5898	0.6056					0.7634	0.4973	0.5206					0.6541	0.8067	0.7994	0.6121	0.6170	0.5100	0.6164	0.5227	0.4488	1.1546	0.7502	0.7776	0.7570	0.9036	0.6780	1.3426	1.5327				
Adenosine 5^-monophosphate	14.0829	10.6529	5.8134	20.3102					10.5768	7.2779	12.6519					13.0164	6.6812	8.0968	7.2320	11.0367	8.8265	14.5869	9.6556	12.0979	16.5549	9.6558	2.8864	3.1388	14.2839	6.3483	20.4968	13.9422				
Adenosine 5^-triphosphate	36.5643	39.6245	47.2531	36.3956					30.2616	24.3916	21.8483					16.3853	33.8923	33.9768	44.1593	40.5115	29.0359	25.1794	31.5198	20.7761	21.1111	30.6574	50.9617	55.0623	25.5584	52.9822	22.9533	4.4240	0.2126	0.0624	0.0092	0.0126
Adenylosuccinic acid	0.5507	0.2365	0.1464	0.5951					0.4735	0.3119	0.3296					0.3999	0.2488	0.2320	0.1363	0.1859	0.3199	0.3377	0.2494	0.3216	1.1393	0.2177	0.1803	0.0895	0.7078	0.1165	1.3698	1.5282				
Allantoic acid	0.0197	0.0108	0.0658	0.0107	0.2494	0.3255	0.2913	0.2701	0.0146	0.0132	0.0132	0.2328	0.3076	0.3873	0.3028	0.0138	0.0092	0.0099	0.0071	0.0080	0.0241	0.0205	0.0212	0.0192	0.0276	0.0112	0.0117	0.0120	0.0175	0.0145	0.0980	0.0155	0.6899	0.3893	0.4814	0.5307
Allantoin	1.0801	0.6619	2.7967	0.7140	21.9425	23.4961	25.4364	28.1127	0.7797	0.6128	0.7244	18.6786	18.6295	26.7060	23.9579	0.7038	0.6016	0.5504	0.5251	0.6087	0.8084	0.6697	0.7357	0.6338	1.2555	0.5552	0.6154	0.6145	0.8012	0.6136	3.4509	0.8227	38.6018	34.4923	30.4061	32.1509
Alpha-Ketovaline	0.1909	0.2150	0.2600	0.1570	6.2501	6.7401	8.4982	9.6894	0.1990	0.1787	0.1476	5.5812	9.3319	13.9024	11.7093	0.1211	0.3165	0.2303	0.2441	0.2071	0.1295	0.1524	0.2032	0.1344		0.3088	0.3115	0.3631		0.3512			7.9780	13.5420	3.4829	5.7658
Azelaic acid	0.0367	0.0475	0.0381	0.0341	0.1481	0.1173	0.2174	0.2399	0.0887	0.0682	0.0439	0.1425	0.1572	0.2438	0.2147	0.0625	0.0547	0.1003	0.0565	0.0780	0.2982	0.0598	0.0532	0.0447	0.0510	0.3665	0.0354	0.0331	0.0387	0.0550	0.0844	0.0651	0.1285	0.1410	0.2528	0.2642
Beta-Lactose	0.1012	0.0843	0.0645	0.1107	0.4108	0.4648	0.3418	0.4766	0.3479	0.2031	0.1717	0.8469	0.7723	0.8813	1.2222	0.2748	0.1754	0.2772	0.1178	0.1013	0.2305	0.1961	0.1595	0.2150	0.1647	0.1028	0.1335	0.1227	0.1380	0.1364	0.1924	0.4183	0.4122	0.4338	0.1331	0.2282
Caproic acid	0.2228	0.2392	0.3239	0.2471	1.0536	1.5054	1.4208	1.8374	0.3853	0.4246	0.4519	1.0230	1.3258	1.9829	2.7247	0.4559	0.2831	0.2943	0.4077	0.4028	0.4594	0.5082	0.4525	0.3577	0.3188	0.2538	0.3347	0.3440	0.3469	0.2907	0.4186	0.2909	1.2235	1.8773	0.5737	0.8731
cis-Aconitic acid	0.2873	0.2521	0.2816	0.2748	3.0731	3.7783	3.8646	5.7482	0.4928	0.5379	0.4430	2.6110	3.5423	5.5649	4.6564	0.4894	0.3023	0.2912	0.3093	0.2668	0.3987	0.2821	0.4434	0.2747	0.3767	0.2829	0.3267	0.3602	0.4116	0.3061	0.5854	0.4154	5.2569	4.6290	5.7124	5.5916
Citric acid	13.4957	11.2478	12.9399	13.8082	103.7371	130.2816	128.6720	184.9570	20.5967	21.6827	19.3185	100.4359	118.6635	194.5772	149.3144	20.1067	11.1978	11.8340	12.3416	11.3300	17.9667	12.6218	18.3294	11.7099	16.2345	11.6931	11.8974	13.6710	17.8263	13.5878	26.9609	21.0677	186.8221	155.7884	124.9585	134.8757
Coenzyme A	0.0567	0.0902	0.0900	0.0870					0.1020	0.0769	0.0895					0.0868	0.0952	0.0997	0.0869	0.1203	0.1452	0.1245	0.1383	0.1150	0.1762	0.0831	0.1035	0.0859	0.1722	0.1118	0.1811	0.1408				
Creatine phosphate	12.0295	14.7701	28.0534	11.1173	0.0371	0.0308	0.0062	0.0183	10.1238	12.2558	6.9124	0.0091	0.0025	0.0242	0.0053	6.4943	10.0575	9.4123	22.0101	15.8153	13.6330	11.8762	18.1113	9.1592	7.3803	9.9081	34.3866	38.9599	14.4515	30.2931	7.2610	2.1735	0.2584	0.1445	0.0722	0.0730
Cytidine 5^-diphosphate	0.2326	0.1758	0.1049	0.2944					0.2555	0.3139	0.2951					0.3645	0.1842	0.2382	0.1664	0.2297	0.2858	0.3007	0.2818	0.2112	0.3643	0.2315	0.1851	0.1550	0.2606	0.1631	0.3024	0.1387				
Cytidine-5^-monophosphate	0.1292	0.0850	0.0485	0.2018					0.1291	0.1458	0.1800					0.3045	0.1274	0.1055	0.0663	0.0976	0.1072	0.1747	0.1230	0.1327	0.2660	0.1313	0.0500	0.0412	0.1499	0.0608	0.2404	0.5583				
Cytidine 5^-triphosphate	0.5024	0.5246	0.5684	0.4291					0.5128	0.4041	0.3450					0.3021	0.4644	0.4581	0.6139	0.5707	0.3950	0.4728	0.5352	0.2874	0.3944	0.3292	0.6735	0.6993	0.4071	0.7496	0.2922	0.0221				
D-Arabitol	0.5320	0.4464	0.6534	0.5070	2.2071	2.3519	2.7071	4.5285	0.5025	0.5810	0.4920	1.7085	3.8802	5.3161	3.5028	0.4661	0.4136	0.4466	0.5220	0.5468	0.4684	0.4253	0.7254	0.3745	0.4806	0.5403	0.4991	0.6616	0.4567	0.5582	0.7224	0.5286	2.2501	3.2124	1.7306	1.8977
Deoxyadenosine 5^-triphosphate	0.0050	0.0059	0.0074	0.0050					0.0049	0.0049	0.0048						0.0057	0.0058	0.0061	0.0067		0.0056	0.0083	0.0039		0.0049	0.0107	0.0085		0.0093	0.0049					
Deoxycytidine 5^-triphosphate	0.0030	0.0029	0.0039							0.0033									0.0039	0.0051			0.0044		0.0042	0.0024	0.0053	0.0047		0.0057						
Deoxythymidine 5^-diphosphate	0.0039	0.0038		0.0051						0.0055	0.0058					0.0072									0.0091				0.0060		0.0099	0.0060				
Deoxythymidine 5^-monophosphate																																				
Deoxythymidine 5^-triphosphate	0.0101	0.0109	0.0099	0.0089					0.0094	0.0085	0.0058					0.0051	0.0062	0.0074	0.0071	0.0084		0.0068	0.0076	0.0049	0.0083		0.0086	0.0085	0.0089	0.0076	0.0069					
D-Fructose 1_6-bisphosphate	16.7871	27.2341	31.8726	16.8395					24.7625	12.9673	16.8049					14.8977	15.4934	26.1226	24.1902	23.6676	17.0509	21.8792	18.4254	17.3204	17.9107	20.4705	22.8157	25.6377	16.5829	31.2826	15.2098	13.0052	0.1770	0.0500	0.0099	
D-Fructose 1-phosphate	0.2818	0.2948	0.7405	0.3608					1.0548	0.4479	0.3560					0.5106	0.1082	0.1738	0.3852	0.3197	0.6633	1.0319	1.1165	0.5383	0.3034	0.1095	0.2108	0.2149	0.3694	0.5975	0.2099	0.1865				
D-Fructose 6-phosphate	0.4209	0.9184	1.1472	0.3897	0.0335	0.0325		0.0743	5.5802	0.5747	0.8377	0.0666	0.0415	0.0596	0.0558	0.5084	4.2243	3.7531	2.5649	4.5117	0.6186	0.8348	1.1244	0.9101	0.3255	3.3802	3.0908	6.2345	0.3234	3.6633	0.4244	0.7788	0.0741	0.0425	0.0080	0.0210
D-Galactosamine	1.9053	1.9936	1.4252	1.5464	108.5822	121.2668	143.2114	142.8098	2.6071	2.0472	1.4999	220.8771	206.2080	249.9469	316.3208	2.0535	2.8234	2.6404	2.4563	1.8618	6.5274	4.2611	4.7919	5.2192	1.6795	5.6257	4.6266	4.1068	1.3340	4.6365	0.7988	2.8308	135.0846	158.3946	21.9903	56.1265
D-Galactose 1-phosphate	0.2017	0.1830	0.2146	0.1671	0.0361	0.0505			0.2825	0.1840	0.2012					0.2040	0.1954	0.2215	0.1932	0.1760	0.1454	0.2084	0.1742	0.1695	0.1938	0.1671	0.1610	0.1385	0.1783	0.1512	0.1977	0.1922	0.0261		0.0222	0.0195
D-Glucaric acid	1.0744	1.0915	1.2449	1.2414	5.3778	4.7906	4.8476	7.4820	1.4434	1.1406	1.2881	4.3154	6.4370	7.7349	6.8346	1.2438	0.9821	1.0113	0.8632	1.0596	1.5021	1.7253	1.7127	1.2568	1.7196	1.0060	1.1816	1.1642	1.8509	1.1085	1.9086	1.6940	5.1550	5.0136	3.2363	3.7447
D-Gluconic acid	0.2699	0.2243	0.3164	0.2591	6.5572	6.5889	6.6663	9.1460	0.4279	0.3800	0.3174	12.6095	11.5372	17.2489	13.4265	0.3894	0.3235	0.3904	0.3401	0.2762	0.6546	0.3240	0.4059	0.3407	0.2490	0.3428	0.3749	0.3870	0.2061	0.3281	0.4144	0.2702	10.7219	7.9620	6.8106	7.4335
D-Glucose 1-phosphate	0.8551	1.2376	1.4948	0.5238					3.6104	0.9042	1.3310					0.7993	2.9963	3.6896	2.3117	2.7833	0.6305	1.1401	1.0706	0.7993	0.7096	2.8853	2.6145	4.4351	0.6223	4.9636	0.7134	0.8447				
D-Glucose 6-phosphate	1.9439	7.7488	7.7848	1.8815	0.2849	0.2532	0.1533	0.3869	26.8137	3.1658	4.0414	0.3951	0.3481	0.4086	0.4718	2.3755	28.6326	28.9032	20.3133	25.9980	3.3871	4.5152	6.7260	4.5533	1.4795	25.0786	26.4118	42.4275	1.1031	39.9920	1.8777	4.7655	0.4571	0.3176	0.0701	0.1286
D-Glucuronic acid	0.0274	0.0228	0.0574	0.0239	1.4280	1.4097	1.3354	2.2674	0.0342	0.0243	0.0268	2.1012	2.9121	2.7537	2.7000	0.0332	0.0255	0.0277	0.0208	0.0220	0.0297	0.0261	0.0369	0.0289	0.0331	0.0245	0.0292	0.0310	0.0250	0.0264	0.0816	0.0360	2.2953	1.9843	2.8029	2.6384
DL-4-Hydroxyphenyllactic acid	0.0739	0.0758	0.0584	0.0534	0.2773	0.2968	0.3503	0.6590	0.0853	0.0872	0.0772	0.9263	0.3970	1.2730	0.3813	0.0898	0.0759	0.0598	0.0699	0.0542	0.1183	0.0762	0.1260	0.0756	0.0699	0.0842	0.0683	0.0884	0.0914	0.0694	0.0766	0.0675	0.5066	0.4254	0.7918	0.7578
DL-Beta-Phenyllactic acid					0.1060	0.1025	0.1356	0.1625				0.3337	0.1703	1.0002	0.2069																		0.1231	0.1026	0.1807	0.1883
D-Mannose 6-phosphate	0.7466	7.7129	9.0131	0.8969	0.1268	0.1058	0.0540	0.1399	13.8882	2.3337	2.5396	0.1753	0.1471	0.1933	0.2027	1.4748	16.9482	15.6442	11.3417	11.6714	2.3140	3.0053	4.2028	2.8810	0.8425	11.8372	13.8977	17.1405	0.6273	16.2185	1.2844	2.3443	0.1706	0.1173	0.0291	0.0523
D-Sedoheputulose 7-phosphate	0.0233	0.0240	0.0237	0.0116					0.1250	0.0281	0.0298					0.0272	0.0848	0.0630	0.0258	0.0288	0.0178	0.0281	0.0285	0.0218	0.0240	0.0218	0.0501	0.0248	0.0214	0.0271	0.0231	0.0491				
D-Sorbitol 6-phosphate	0.0485	0.0552	0.0576	0.0402					0.1226	0.1127	0.1222					0.1004	0.0497	0.0597	0.0497	0.0504	0.0688	0.0819	0.1076	0.0582	0.0565	0.0594	0.0508	0.0829	0.0459	0.0796	0.0452	0.0816				
Flavin adenine dinucleotide	0.0251	0.0248	0.0258	0.0259					0.0522	0.0462	0.0474					0.0484	0.0282	0.0299	0.0288	0.0317	0.0545	0.0533	0.0536	0.0460	0.0512	0.0250	0.0398	0.0363	0.0447	0.0345	0.0514	0.0543				
Fumaric acid	2.0040	2.4403	2.3006	1.9288	0.8173	0.9609	1.1654	2.4026	4.9441	4.1037	3.5701	0.8713	1.3665	2.8610	1.0749	3.5765	2.5659	2.2964	1.8769	1.9448	2.5743	2.6073	3.0193	2.5929	2.5103	1.4571	1.6894	1.3750	2.6262	1.7739	2.7748	2.3979	0.8998	1.0821	0.3699	0.5103
Galactitol	0.3359	0.3047	0.3531	0.3163	1.0772	0.6789	1.0836	0.7045	0.5494	0.5820	0.6275	4.7248	1.3490	8.8758	1.1985	0.4912	0.3989	0.3646	0.3775	0.3842	0.5968	0.5124	0.6581	0.4046	0.4082	0.4023	0.4298	0.5431	0.3353	0.6397	0.5702	0.4018	1.1214	1.9339	0.4324	0.7423
GDP-D-mannose	0.0430	0.0444	0.0455	0.0445					0.0617	0.0545	0.0433					0.0471	0.0510	0.0449	0.0460	0.0467	0.0448	0.0580	0.0636	0.0425	0.0468	0.0309	0.0559	0.0550	0.0448	0.0473	0.0643	0.0412				
Glycerol	0.1290	0.1251	0.1645	0.1371	0.3883	0.4384	0.5340	0.8308	0.1309	0.1882	0.1579	0.1771	0.5682	0.8310	0.5011	0.1286	0.1239	0.1182	0.1746	0.1838	0.1216	0.1103	0.1978	0.0797	0.1332	0.1296	0.1138	0.1698	0.1349	0.1412	0.1558	0.1234	0.2954	0.4292	0.2745	0.2591
Glycerol 3-phosphate	10.2116	16.5542	16.2569	9.5011	3.3993	3.1742	2.6666	2.2883	13.3575	11.1731	11.9295	3.1903	1.8061	3.6493	2.8690	12.1366	15.6016	13.0657	16.7520	15.6170	11.7568	8.7826	12.3226	12.3453	9.1678	15.2947	13.4727	16.5411	8.0934	16.0741	9.5866	14.4603	2.5684	4.3944	0.9688	1.7997
Guanosine 5^-diphosphate	0.5978	0.4935	0.3150	0.6669					0.9616	0.9183	0.9347					1.0944	0.5847	0.6045	0.4163	0.5650	0.9077	0.9643	0.7751	0.7719	1.1055	0.5282	0.5426	0.4216	0.8704	0.3797	1.1604	0.9462				
Guanosine 5^-monophosphate	0.3019	0.1998	0.0808	0.4179					0.4792	0.4379	0.6759					0.9099	0.2103	0.2187	0.1326	0.2469	0.4003	0.6853	0.3905	0.5069	0.8088	0.2219	0.0821	0.0675	0.5187	0.1020	0.8617	2.1178	0.0421			
Guanosine 5^-triphosphate	1.2326	1.3492	1.4328	1.1969					1.5826	1.0718	1.1194					0.9450	1.1872	1.1187	1.3620	1.3740	1.2030	1.5059	1.4007	1.0170	1.1846	0.8581	1.6696	1.5706	1.2372	1.6207	1.0952	0.2336				
Hexose	7.0365	7.1475	5.6064	5.1402	527.9592	518.1294	621.4017	659.4016	9.1708	6.8105	5.4013	1065.7562	1008.0639	1175.6256	1430.0613	6.7938	11.7462	10.1694	9.3266	7.5077	22.4038	11.3685	15.8150	16.6218	5.3686	21.6236	19.2906	17.3599	4.2962	19.4243	2.6218	9.1044	578.5621	729.0591	88.3066	243.7970
Hippuric acid	0.0151	0.0086	0.0397	0.0110	0.4343	0.3717	0.8736	0.5383	0.0420	0.0368	0.0120	0.2897	1.4391	1.2593	0.6053	0.0308	0.0293	0.0262	0.0273	0.0164	0.0557	0.0204	0.0184	0.0151	0.0247	0.0156	0.0197	0.0159	0.0111	0.0154	0.0461	0.0181	0.3205	0.2863	1.4552	1.3762
Hydrocinnamate					1.4477	1.5496	1.9307	0.5085				2.1969	1.7634	1.5987	1.3720																		0.5879	0.9160	0.2140	0.4690
Hydroxybutyric acid (2-Hydroxybutyric acid_ 3-Hydroxybutyric acid_ 2-Hydroxyisobutyric acid_ 3-Hydroxyisobutyric acid)	1.4577	1.2690	4.8872	2.7378	250.5175	284.9735	217.8044	503.0710	4.4351	2.5505	5.3193	133.5463	90.1511	90.4779	96.7676	2.7042	5.6450	5.1453	3.9721	6.3946	1.4704	0.6619	1.2027	0.6286	0.6399	2.4914	1.3728	1.6582	0.5400	1.1295	3.9888	0.6648	69.8546	81.8092	103.6628	99.2883
Hypoxanthine	0.1110	0.0803	0.0484	0.1206					0.1104	0.0984	0.0775					0.1413	0.1795	0.1550	0.0718	0.0950	0.0932	0.0716	0.0739	0.1064	0.1057	0.1519	0.1110	0.0384	0.0762	0.0410	0.1161	0.2880				
Inosine 5^-diphosphate	0.0066	0.0048	0.0033	0.0085					0.0068	0.0101	0.0072					0.0079	0.0081	0.0118	0.0121	0.0083	0.0091	0.0070	0.0153	0.0128	0.0053	0.0072	0.0159	0.0078	0.0048	0.0090						
Inosine 5^-monophosphate	19.6004	14.9509	9.3068	22.0533					20.6454	18.8735	15.8919					25.8973	31.0416	27.7091	13.5424	17.4161	18.7568	15.3663	15.5229	20.9797	20.4321	26.7100	20.2935	7.5153	14.9120	8.1025	22.4572	51.2724	0.6118	0.2380	0.0355	0.0551
Inosine 5^-triphosphate	0.0027																0.0141	0.0163	0.0060							0.0058	0.0137	0.0039		0.0086						
Isocitric acid	0.4124	0.4684	0.5587	0.3979	5.8889	6.7309	7.1424	11.2048	1.1052	1.1519	1.1556	5.5667	6.6635	10.5142	8.3737	1.1480	0.4957	0.4418	0.6165	0.4847	0.9247	0.5393	1.0270	0.5886	1.0159	0.4583	0.5958	0.8131	0.9758	0.6255	1.4128	1.0801	11.4550	8.9240	9.8643	9.6383
Ketoisoleucine	0.1155	0.1659	0.2480	0.0668	7.6643	9.0967	9.9861	16.3556	0.1563	0.0995	0.0730	4.1422	14.3147	23.1276	14.5130	0.0677	0.3878	0.3139	0.2035	0.2697	0.0758	0.0726	0.0972	0.0720		0.1630	0.2606	0.2444	0.0560	0.2100	0.0466		9.1250	16.8293	5.5178	9.4865
Ketoleucine	0.0908	0.1141	0.1992	0.0724	5.8753	6.7845	8.5390	12.7077	0.1423	0.0633	0.0672	4.1841	12.2635	22.9416	11.2029	0.0708	0.3604	0.2758	0.2072	0.2394	0.1196	0.0552	0.0933	0.0565		0.2514	0.2509	0.2118	0.0501	0.1956	0.0515		5.3813	10.1800	3.9900	6.3078
Lactic acid	237.3366	248.5750	176.7951	228.5179	709.0773	792.8269	714.9685	824.3912	224.7825	95.1618	123.7889	1301.1090	927.1485	1537.3499	1367.8067	119.8268	338.7661	276.2385	213.1996	241.9528	103.3443	112.8691	115.8632	132.2336	108.0444	255.5562	219.7265	178.9516	112.1779	203.0344	112.3801	158.3500	926.9604	1273.5990	307.0518	514.0363
Lactitol	0.0987	0.0888	0.1035	0.0912					0.1459	0.1086	0.1249	0.0219	0.0236	0.1224	0.0352	0.1207	0.0528	0.0514	0.0453	0.0444	0.1477	0.1368	0.1321	0.1278	0.1605	0.0450	0.0617	0.0573	0.1482	0.0603	0.2504	0.1887	0.6786	0.9848	0.3030	0.4515
L-Cysteic acid	0.0297	0.0238	0.0617	0.0225	0.0355	0.0557	0.0367	0.0317	0.0163	0.0129	0.0169	0.1421	0.0589	0.1423	0.1338	0.0185	0.0124	0.0083	0.0110	0.0104	0.0266	0.0395	0.0202	0.0239	0.0354	0.0312	0.0250	0.0196	0.0201	0.0286	0.0526	0.0199	0.1537	0.1190	0.0534	0.0657
Leucinic acid	0.0521	0.0301	0.1775	0.0315	2.1474	1.5763	2.3261	3.2217	0.0585	0.0538	0.0530	1.8317	2.1798	3.9589	3.0856	0.0525	0.0572	0.0517	0.0536	0.0610	0.0736	0.0420	0.0601	0.0433	0.0451	0.0482	0.0414	0.0608	0.0272	0.0389	0.2172	0.0260	2.4861	1.9114	3.5995	3.5485
L-Homocysteic acid	0.0760	0.0481	0.0543	0.0780					0.0758	0.0569	0.0596	0.0422	0.0390	0.0587	0.0438	0.0734	0.0679	0.0647	0.0406	0.0451	0.0830	0.0874	0.0867	0.0779	0.0833	0.0646	0.0580	0.0523	0.0633	0.0564	0.0829	0.1470	0.0545	0.0430	0.0233	0.0273
L-Pyroglutamic acid	0.7245	0.7207	0.6669	0.7455	1.4639	2.1742	1.5983	3.0254	0.9995	2.6822	0.8000	1.7309	2.8053	3.1944	2.9197	0.9753	1.0441	1.2871	1.0552	0.9298	1.2012	0.8705	1.0528	0.8870	0.9216	0.8395	0.8466	0.7066	0.8062	0.7402	1.0297	0.8673	2.8825	4.7673	1.4453	2.1022
L-Threonic acid	1.1944	1.3888	1.3328	1.4829	11.6215	9.3113	10.2025	17.3797	4.1122	3.7141	3.9128	8.7414	13.8353	15.5511	17.3573	4.1572	1.8716	1.7261	1.7741	1.4445	4.6473	4.9938	4.5384	3.4624	3.7838	1.4159	2.2366	2.2642	3.8280	1.9000	3.0031	3.8096	11.8254	11.4657	7.2140	8.6206
Maleic acid	0.0444	0.0418	0.0382	0.0398	0.3059	0.3030	0.3940	0.4258	0.0741	0.0429	0.0425	0.2029	0.3331	0.3118	0.4008	0.0381	0.0476	0.0401	0.0406	0.0481	0.0608	0.0372	0.0363	0.0352	0.0623	0.0733	0.0455	0.0421	0.0549	0.0597	0.0850	0.0431	0.2799	0.3619	0.1521	0.1467
Malic acid	25.4236	28.4408	27.3959	25.3829	19.7872	21.2943	27.6291	56.8057	51.1099	40.7343	36.8523	22.1266	32.7228	67.2727	25.2689	33.9827	29.4133	26.5463	25.7242	24.9586	32.2465	31.5003	35.2925	29.2140	36.7975	22.3161	23.3313	24.3266	38.9409	25.5544	41.0443	36.7047	20.4685	27.1123	10.2191	13.8027
Maltotetraose	0.0321	0.0126	0.0167	0.0335					0.0935	0.0970	0.0693					0.0953	0.0324	0.0603	0.0168	0.0142	0.0830	0.0513	0.0777	0.0925	0.0570	0.0380	0.0358	0.0346	0.0279	0.0361	0.0315	0.1780				
Na-Acetyl-L-asparagine	0.0082	0.0063	0.0112	0.0060	0.1721	0.1635	0.2118	0.2509	0.0085	0.0080	0.0092	0.2344	0.1686	0.2663	0.1589	0.0093	0.0046	0.0064	0.0067	0.0062	0.0151	0.0108	0.0090	0.0083	0.0101	0.0076	0.0065	0.0065	0.0086	0.0060	0.0148	0.0071	0.2529	0.2479	0.2522	0.2384
N-Acetyl-D-galactosamine																																				
N-Acetyl-D-glucosamine 1-phosphate	0.0486	0.0440	0.0506	0.0450	0.0480	0.0316	0.0240	0.0771	0.0921	0.0864	0.0794	0.0533	0.0638	0.0698	0.0784	0.1025	0.0602	0.0876	0.0609	0.0566	0.0617	0.0711	0.0819	0.0654	0.0657	0.0373	0.1021	0.0609	0.0568	0.0556	0.0785	0.0802	0.0777	0.0618	0.0230	0.0358
N-Acetyl-D-glucosamine 6-phosphate	0.0389	0.0347	0.0279	0.0367	0.0409			0.0359	0.0405	0.0509	0.0393	0.0401	0.0506			0.0513	0.0310	0.0342	0.0274	0.0328	0.0273	0.0338	0.0392	0.0310	0.0386	0.0221	0.0340	0.0272	0.0377	0.0196	0.0459	0.0561	0.0443		0.0156	0.0185
N-Acetyl-DL-alanine	0.0638	0.0409	0.0595	0.0499	0.4207	0.5602	0.6683	0.8212	0.0672	0.0667	0.0496	0.5273	0.6159	0.9481	0.6544	0.0614	0.0533	0.0590	0.0559	0.0443	0.1187	0.0519	0.0594	0.0588	0.0568	0.0494	0.0503	0.0573	0.0407	0.0533	0.0667	0.0457	0.7774	0.5547	0.7093	0.6205
N-Acetyl-L-aspartic acid	1.7031	1.1049	0.9014	0.8452	0.1025	0.1401	0.1090	0.1851	1.0895	0.7000	0.3653	0.0690	0.1814	0.3212	0.1267	0.3928	0.9399	0.6593	0.8180	0.8227	0.4558	0.3668	0.4768	0.4842	0.5306	0.7933	1.4388	0.8259	0.5399	0.6454	1.4064	0.4783	0.1632	0.1722	0.1799	0.1795
N-Acetyl-L-glutamate	0.0311	0.0234	0.0204	0.0242	0.3947	0.4556	0.5198	0.6600	0.0550	0.0392	0.0276	0.7747	0.5095	1.2495	0.7139	0.0323	0.0404	0.0464	0.0327	0.0297	0.0391	0.0258	0.0396	0.0347	0.0270	0.0354	0.0415	0.0287	0.0255	0.0311	0.0271	0.0259	0.8445	0.6402	0.3197	0.3822
N-Acetyl-L-glutamine	0.0129	0.0110	0.0171	0.0101	0.2633	0.3263	0.2607	0.6602	0.0133	0.0120	0.0120	0.3690	0.3849	0.8778	0.3992	0.0125	0.0090	0.0100	0.0097	0.0106	0.0187	0.0119	0.0176	0.0133	0.0159	0.0112	0.0110	0.0141	0.0114	0.0115	0.0252	0.0102	0.6082	0.7852	0.6777	0.6687
N-Acetyl-L-leucine					0.3258	0.3810	0.3611	0.7807				1.3490	0.8079	1.6097	0.4548																		0.2531	0.2809	0.3789	0.3746
N-Carbamoyl-L-aspartate	0.0035				0.0176			0.0559	0.0097	0.0111	0.0075	0.0300	0.0556	0.0644	0.0438	0.0082		0.0032			0.0101	0.0082	0.0119	0.0062	0.0081	0.0066	0.0042	0.0058	0.0068	0.0048	0.0054	0.0062	0.0488	0.0463	0.0208	0.0265
Nicotinamide adenine dinucleotide	0.2613	0.3107	0.3231	0.2898					0.2451	0.2323	0.2515					0.2098	0.2971	0.2951	0.3427	0.3413	0.2783	0.2883	0.3068	0.2189	0.2252	0.2792	0.4244	0.4158	0.2212	0.3428	0.2450	0.1385				
O-Acetyl-L-homoserine	0.1075	0.0932	0.0981	0.1182	0.4938	0.5478	0.5080	1.3695	0.0647	0.0571	0.0624	0.5570	0.6394	0.8475	1.0694	0.0633	0.0712	0.0694	0.0763	0.0743	0.0614	0.0607	0.0571	0.0539	0.0643	0.0650	0.0723	0.0716	0.0603	0.0904	0.0792	0.0552	0.6723	0.9240	0.7501	0.8074
O-Acetyl-L-serine	0.1155	0.1061	0.0878	0.1247	0.3387	0.3913	0.4359	0.4972	0.0523	0.0836	0.0463	0.5519	0.4591	0.9459	0.4731	0.0611	0.0797	0.0926	0.0971	0.0947	0.0383	0.0382	0.0465	0.0437	0.0675	0.0650	0.0773	0.0775	0.0526	0.0887	0.0626	0.0354	0.8266	0.5564	0.4788	0.4638
O-Phospho-L-serine	0.0097	0.0097	0.0087	0.0110					0.0208	0.0182	0.0145					0.0185	0.0134	0.0146	0.0161	0.0115	0.0171	0.0186	0.0183	0.0153	0.0140	0.0118	0.0160	0.0107	0.0152	0.0110	0.0111	0.0137				
Orotic acid	0.0107	0.0073	0.0124	0.0063	0.1976	0.3161	0.2777	0.4704	0.0134	0.0117	0.0122	0.3448	0.6248	1.2155	0.4926	0.0093	0.0053	0.0065	0.0067	0.0080	0.0170	0.0099	0.0168	0.0096	0.0153	0.0085	0.0081	0.0104	0.0134	0.0066	0.0242	0.0104	0.6894	0.8160	0.5419	0.5838
Pantothenate	0.1679	0.1297	0.2485	0.1108	0.2625	0.3181	0.2142	0.3978	0.5516	0.5022	0.4438	0.5095	0.7364	0.7749	0.7500	0.5049	0.2363	0.2114	0.1772	0.1621	0.6606	0.6345	0.7924	0.5735	0.3285	0.2905	0.2800	0.2734	0.1917	0.3030	1.4685	0.2151	0.4688	0.4947	0.3589	0.3930
Pentose	0.1870	0.1712	0.2195	0.1383	10.8695	10.3517	12.0583	15.0665	0.2900	0.2250	0.1829	19.9131	18.4206	22.0711	29.1782	0.2397	0.2766	0.2641	0.2372	0.1946	0.4845	0.2713	0.3313	0.3541	0.1514	0.4432	0.3999	0.3654	0.1129	0.3994	0.1985	0.2033	14.2348	15.9933	3.0860	6.1753
Pentose monophosphate	0.9296	0.6866	0.6356	1.1041	0.1111	0.0676		0.1313	0.6775	0.8292	0.8059	0.0552	0.0372		0.0604	0.6060	0.2542	0.2582	0.5278	0.5436	0.9925	0.9246	0.8268	1.0817	0.5520	0.1834	0.5730	0.4486	0.8250	0.5513	0.4723	0.6047	0.2502	0.0823	0.0265	0.0493
Phosphoenolpyruvic acid	1.0052	1.5079	2.3421	0.9366					0.7787	0.4477	0.3924					0.4664	1.0573	1.3033	1.2310	1.0323	0.4918	0.5409	0.6072	0.6329	0.7571	1.3279	1.2409	1.3203	0.8284	1.5241	0.6391	0.8486				
Phosphoribosyl pyrophosphate	0.1274	0.1203	0.0951	0.0902					0.0464	0.0126	0.0179					0.0077	0.1218	0.1299	0.0873	0.1001	0.0096	0.0063	0.0210	0.0148	0.0191	0.1053	0.1114	0.1360	0.0200	0.1160	0.0435	0.0050				
Phosphoric acid	151.6534	126.2259	113.8204	170.4627	214.5530	309.2761	262.8123	328.5211	102.1252	90.9796	102.9512	209.3622	277.3249	363.3558	397.6422	109.1760	131.9453	105.8151	104.5305	117.9245	94.4250	100.1234	95.2539	91.0904	102.4250	115.9089	99.8361	84.8454	104.0060	88.0421	122.2753	127.8026	240.2588	324.4638	98.6486	147.1200
Pyridoxal 5^-phosphate	0.1011	0.0998	0.1236	0.1058	0.1034	0.0747	0.0793	0.0906	0.1030	0.0888	0.0975	0.0662	0.0972	0.0933	0.1781	0.0843	0.1000	0.0903	0.1032	0.1024	0.0855	0.0903	0.0918	0.0848	0.0944	0.0743	0.1266	0.1300	0.0900	0.1210	0.1103	0.0731		0.0605	0.0153	0.0320
Pyrophosphate	6.4600	5.5189	4.9547	7.3427	8.1646	12.4320	9.6710	12.8944	4.2508	3.8225	4.3549	8.0586	10.3460	13.9539	15.6795	4.6030	5.7630	4.5624	4.5867	5.1443	3.8585	4.2295	4.1062	3.9010	4.1500	5.0778	4.3076	3.5945	4.2531	3.7684	5.0845	5.2158	9.3355	12.3651	3.8707	5.6794
Pyruvic acid	3.4988	2.5850	1.6647	3.3830	11.4680	5.4114	5.5595	5.5711	0.5473	0.4739	0.4504	24.5214	12.6861	26.8735	15.8162	0.3956	0.5097	1.3688	1.5255	1.7249	0.6652	0.8049	0.5866	0.6091	0.5278	1.9393	1.2730	2.0797	1.0726	2.0842	0.6565	0.3865	24.2082	36.1396	3.3807	10.3924
S-Sulfo-L-cysteine					0.3496	0.3344	0.2406	0.5759				1.0008	0.4219	0.7540	0.6641																		1.3035	1.0008	0.0647	0.2923
Suberic acid	0.0188	0.0139	0.0145	0.0157	0.0860	0.0950	0.1151	0.1722	0.0294	0.0219	0.0161	0.0528	0.1008	0.1648	0.1539	0.0132	0.0200	0.0230	0.0232	0.0245	0.0593	0.0243	0.0278	0.0145	0.0141	0.0490	0.0128	0.0106	0.0180	0.0193	0.0331	0.0181	0.0665	0.0797	0.1112	0.1154
Succinic acid	4.9941	6.5450	4.7620	4.3706	6.6533	6.8188	7.4148	18.3504	7.1772	3.1622	3.2959	8.1519	9.9105	18.5875	12.2383	1.9876	7.3999	4.8870	7.8100	7.3990	3.3182	1.9435	3.4403	2.0623	3.2709	6.0589	5.2451	7.2618	3.7866	6.2673	4.2785	2.5905	5.4450	9.1642	2.3246	3.5376
Tartaric acid	0.0277	0.0306	0.0288	0.0336	0.0797	0.0461	0.0781	0.1210	0.0912	0.0546	0.0677	0.0683	0.1017	0.1145	0.0960	0.0604	0.0511	0.0535	0.0544	0.0378	0.0662	0.0777	0.0559	0.0473	0.0644	0.0280	0.0278	0.0285	0.0395	0.0342	0.0541	0.0913	0.0758	0.0787	0.0504	0.0601
Taurine	203.5498	202.0755	214.4892	225.9349	62.8065	79.3717	65.7130	102.7117	243.9226	191.4059	227.6674	80.1153	74.3023	107.6507	91.6956	226.1509	228.9026	201.5076	216.9491	233.5280	218.3587	225.3454	220.7472	191.3582	204.5959	209.1544	220.6739	222.8760	211.6362	229.2307	237.4905	207.0351	111.2539	109.8159	43.1456	56.9618
Thiamine pyrophosphate	0.0219	0.0222	0.0197	0.0256					0.0343	0.0308	0.0391					0.0407	0.0162	0.0179	0.0202	0.0174	0.0415	0.0409	0.0378	0.0328	0.0398	0.0177	0.0284	0.0267	0.0358	0.0259	0.0469	0.0454				
Thymidine	0.0051	0.0034			0.0533		0.0770			0.0060			0.0695	0.0939	0.0955										0.0069							0.0068	0.1000	0.1001	0.0185	0.0370
UDP-alpha-D-galactose	0.0080	0.0061	0.0050	0.0153					0.0066	0.0094	0.0084					0.0111	0.0064	0.0057	0.0062	0.0060	0.0107	0.0097	0.0122	0.0089	0.0156	0.0049	0.0073	0.0078	0.0113	0.0052	0.0175	0.0120				
UDP-N-acetyl-alpha-D-glucosamine	0.2944	0.2876	0.2769	0.2878					0.4305	0.4051	0.3786					0.4446	0.3037	0.3322	0.2943	0.2949	0.3501	0.3936	0.4120	0.3408	0.3661	0.2503	0.3655	0.3002	0.3152	0.3391	0.3854	0.4086				
Uric acid	0.3306	0.2888	0.2645	0.3549	29.0910	23.0496	22.1349	42.9903	0.4384	0.2978	0.3864	27.9705	26.5111	33.8549	60.8285	0.3625	0.3720	0.4164	0.2858	0.3740	0.2759	0.2000	0.3093	0.2517	0.2670	0.2559	0.2575	0.2514	0.3375	0.2560	0.4040	0.4154	47.7950	54.7262	6.0827	16.9964
Uridine	0.0583	0.0547	0.0409	0.0444	0.1900	0.1901	0.1840	0.2973	0.1476	0.1011	0.0983	0.1575	0.1471	0.2437	0.3656	0.1046	0.1127	0.0855	0.0734	0.0863	0.0713	0.0745	0.0843	0.0749	0.0676	0.0283	0.1037	0.0453	0.0639	0.0469	0.0767	0.1827	0.4412	0.2982	0.0497	0.1151
Uridine 5^-diphosphate	0.7939	0.6008	0.3545	0.9026					1.1017	1.1634	1.1300					1.3000	0.5931	0.7349	0.5459	0.6872	1.0778	1.1860	1.0656	0.9783	1.1713	0.7306	0.7132	0.5424	0.9588	0.4931	1.2104	0.4364				
Uridine 5^-diphosphate glucose	0.0464	0.0467	0.0546	0.0524					0.0578	0.0497	0.0825					0.0615	0.0409	0.0443	0.0455	0.0335	0.0767	0.0672	0.0617	0.0538	0.0749	0.0355	0.0421	0.0436	0.0651	0.0523	0.0793	0.0693				
Uridine 5’-diphosphate (UDP)-D-glucuronate	0.0092	0.0051	0.0033	0.0071					0.0096	0.0074	0.0074					0.0082	0.0061	0.0064	0.0057	0.0036	0.0063	0.0079	0.0088	0.0073	0.0086	0.0057	0.0037	0.0044	0.0065	0.0036	0.0071	0.0110				
Uridine 5^-monophosphate	0.6898	0.5500	0.4233	0.9545					0.9664	1.0349	1.2625					1.6427	0.7266	0.6549	0.4675	0.5028	1.0134	1.2134	0.9228	1.0094	1.5865	0.6912	0.4330	0.4036	1.1393	0.4309	1.5910	2.9493				
Uridine 5^-triphosphate	1.8626	1.9494	2.0822	1.5628					2.3776	1.6177	1.4055					1.2666	1.8707	2.0525	2.2855	2.1390	1.4599	1.7816	1.8799	1.3508	1.3160	1.4871	2.4211	2.4814	1.5374	2.3929	1.1702	0.1138
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	pubchem_id	inchi_key	kegg_id	other_id	other_id_type	ri	ri_type	moverz_quant	
1,5-Anhydro-D-glucitol									
1,6-Anhydro-beta-D-glucose									
2,3-Bisphosphoglycerate									
2,3-Pyridinedicarboxylic acid									
2'-Deoxycytidine 5'-monophosphate									
2-deoxyribose 5-phosphate									
2'-Deoxyuridine 5'-phosphate									
2-Ethylhexanoic acid									
2-Hydroxy-3-methylbutyric acid									
2-Hydroxy glutaric acid									
2-Ketoadipic acid									
2-Ketoglutaric acid									
2-Phospho-D-glyceric acid									
3-Hydroxy-3-methylglutaric acid									
5-aminoimidazole-4-carboxamide-1-β-D-ribofuranosyl 5'-monophosphate									
6-Phosphogluconic acid									
Acetylglycine									
Adenosine 3',5'-cyclic monophosphate									
Adenosine 5'-diphosphate									
Adenosine 5'-diphosphate ribose									
Adenosine 5'-monophosphate									
Adenosine 5'-triphosphate									
Adenylosuccinic acid									
Allantoic acid									
Allantoin									
Alpha-Ketovaline									
Azelaic acid									
Beta-Lactose									
Caproic acid									
cis-Aconitic acid									
Citric acid									
Coenzyme A									
Creatine phosphate									
Cytidine 5'-diphosphate									
Cytidine-5'-monophosphate									
Cytidine 5'-triphosphate									
D-Arabitol									
Deoxyadenosine 5'-triphosphate									
Deoxycytidine 5'-triphosphate									
Deoxythymidine 5'-diphosphate									
Deoxythymidine 5'-monophosphate									
Deoxythymidine 5'-triphosphate									
D-Fructose 1,6-bisphosphate									
D-Fructose 1-phosphate									
D-Fructose 6-phosphate									
D-Galactosamine									
D-Galactose 1-phosphate									
D-Glucaric acid									
D-Gluconic acid									
D-Glucose 1-phosphate									
D-Glucose 6-phosphate									
D-Glucuronic acid									
DL-4-Hydroxyphenyllactic acid									
DL-Beta-Phenyllactic acid									
D-Mannose 6-phosphate									
D-Sedoheputulose 7-phosphate									
D-Sorbitol 6-phosphate									
Flavin adenine dinucleotide									
Fumaric acid									
Galactitol									
GDP-D-mannose									
Glycerol									
Glycerol 3-phosphate									
Guanosine 5'-diphosphate									
Guanosine 5'-monophosphate									
Guanosine 5'-triphosphate									
Hexose									
Hippuric acid									
Hydrocinnamate									
Hydroxybutyric acid (2-Hydroxybutyric acid, 3-Hydroxybutyric acid, 2-Hydroxyisobutyric acid, 3-Hydroxyisobutyric acid)									
Hypoxanthine									
Inosine 5'-diphosphate									
Inosine 5'-monophosphate									
Inosine 5'-triphosphate									
Isocitric acid									
Ketoisoleucine									
Ketoleucine									
Lactic acid									
Lactitol									
L-Cysteic acid									
Leucinic acid									
L-Homocysteic acid									
L-Pyroglutamic acid									
L-Threonic acid									
Maleic acid									
Malic acid									
Maltotetraose									
Na-Acetyl-L-asparagine									
N-Acetyl-D-galactosamine									
N-Acetyl-D-glucosamine 1-phosphate									
N-Acetyl-D-glucosamine 6-phosphate									
N-Acetyl-DL-alanine									
N-Acetyl-L-aspartic acid									
N-Acetyl-L-glutamate									
N-Acetyl-L-glutamine									
N-Acetyl-L-leucine									
N-Carbamoyl-L-aspartate									
Nicotinamide adenine dinucleotide									
O-Acetyl-L-homoserine									
O-Acetyl-L-serine									
O-Phospho-L-serine									
Orotic acid									
Pantothenate									
Pentose									
Pentose monophosphate									
Phosphoenolpyruvic acid									
Phosphoribosyl pyrophosphate									
Phosphoric acid									
Pyridoxal 5'-phosphate									
Pyrophosphate									
Pyruvic acid									
S-Sulfo-L-cysteine									
Suberic acid									
Succinic acid									
Tartaric acid									
Taurine									
Thiamine pyrophosphate									
Thymidine									
UDP-alpha-D-galactose									
UDP-N-acetyl-alpha-D-glucosamine									
Uric acid									
Uridine									
Uridine 5'-diphosphate									
Uridine 5'-diphosphate glucose									
Uridine 5’-diphosphate (UDP)-D-glucuronate									
Uridine 5'-monophosphate									
Uridine 5'-triphosphate									
METABOLITES_END
#END