#METABOLOMICS WORKBENCH JiamengSun99_20240924_123714 DATATRACK_ID:5220 STUDY_ID:ST003495 ANALYSIS_ID:AN005736 PROJECT_ID:PR002144
VERSION             	1
CREATED_ON             	September 25, 2024, 6:23 am
#PROJECT
PR:PROJECT_TITLE                 	Hepatocyte Period 1 dictates oxidative substrate selection independent of the
PR:PROJECT_TITLE                 	core circadian clock
PR:PROJECT_SUMMARY               	This project contains metabolomic data generated in the paper titled "Hepatocyte
PR:PROJECT_SUMMARY               	Period 1 dictates oxidative substrate selection independent of the core
PR:PROJECT_SUMMARY               	circadian clock"
PR:INSTITUTE                     	Washington University in St. Louis
PR:LAST_NAME                     	Sun
PR:FIRST_NAME                    	Jiameng
PR:ADDRESS                       	660 S. Euclid Ave
PR:EMAIL                         	jiameng@wustl.edu
PR:PHONE                         	3149349954
#STUDY
ST:STUDY_TITLE                   	Hepatocyte Period 1 dictates oxidative substrate selection independent of the
ST:STUDY_TITLE                   	core circadian clock
ST:STUDY_SUMMARY                 	We treated Per1fl/fl or Per1LKO mice with or without FGF21, fasted or refed
ST:INSTITUTE                     	Washington University in St. Louis
ST:LAST_NAME                     	Sun
ST:FIRST_NAME                    	Jiameng
ST:ADDRESS                       	660 S. Euclid Ave
ST:EMAIL                         	jiameng@wustl.edu
ST:PHONE                         	3149349954
#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           	-	DBLiver_pP_1A	Treatment:WT_Fast | Sample source:Mouse liver	phase=positive; RAW_FILE_NAME(Raw file name)=DBLiver_pP_1A.mzML
SUBJECT_SAMPLE_FACTORS           	-	DBLiver_pP_1B	Treatment:WT_Fast | Sample source:Mouse liver	phase=positive; RAW_FILE_NAME(Raw file name)=DBLiver_pP_1B.mzML
SUBJECT_SAMPLE_FACTORS           	-	DBLiver_pP_2A	Treatment:WT_Fast | Sample source:Mouse liver	phase=positive; RAW_FILE_NAME(Raw file name)=DBLiver_pP_2A.mzML
SUBJECT_SAMPLE_FACTORS           	-	DBLiver_pP_4A	Treatment:LKO_Fast | Sample source:Mouse liver	phase=positive; RAW_FILE_NAME(Raw file name)=DBLiver_pP_4A.mzML
SUBJECT_SAMPLE_FACTORS           	-	DBLiver_pP_5A	Treatment:LKO_Fast | Sample source:Mouse liver	phase=positive; RAW_FILE_NAME(Raw file name)=DBLiver_pP_5A.mzML
SUBJECT_SAMPLE_FACTORS           	-	DBLiver_pP_5B	Treatment:LKO_Fast | Sample source:Mouse liver	phase=positive; RAW_FILE_NAME(Raw file name)=DBLiver_pP_5B.mzML
SUBJECT_SAMPLE_FACTORS           	-	DBLiver_pP_3A	Treatment:WT_Fast_FGF21 | Sample source:Mouse liver	phase=positive; RAW_FILE_NAME(Raw file name)=DBLiver_pP_3A.mzML
SUBJECT_SAMPLE_FACTORS           	-	DBLiver_pP_3B	Treatment:WT_Fast_FGF21 | Sample source:Mouse liver	phase=positive; RAW_FILE_NAME(Raw file name)=DBLiver_pP_3B.mzML
SUBJECT_SAMPLE_FACTORS           	-	DBLiver_pP_3C	Treatment:WT_Fast_FGF21 | Sample source:Mouse liver	phase=positive; RAW_FILE_NAME(Raw file name)=DBLiver_pP_3C.mzML
SUBJECT_SAMPLE_FACTORS           	-	DBLiver_pP_6C	Treatment:LKO_Fast_FGF21 | Sample source:Mouse liver	phase=positive; RAW_FILE_NAME(Raw file name)=DBLiver_pP_6C.mzML
SUBJECT_SAMPLE_FACTORS           	-	DBLiver_pP_6D	Treatment:LKO_Fast_FGF21 | Sample source:Mouse liver	phase=positive; RAW_FILE_NAME(Raw file name)=DBLiver_pP_6D.mzML
SUBJECT_SAMPLE_FACTORS           	-	DBLiver_pP_6E	Treatment:LKO_Fast_FGF21 | Sample source:Mouse liver	phase=positive; RAW_FILE_NAME(Raw file name)=DBLiver_pP_6E.mzML
SUBJECT_SAMPLE_FACTORS           	-	DBLiver_pP_2B	Treatment:WT_Fast_Refeed | Sample source:Mouse liver	phase=positive; RAW_FILE_NAME(Raw file name)=DBLiver_pP_2B.mzML
SUBJECT_SAMPLE_FACTORS           	-	DBLiver_pP_2C	Treatment:WT_Fast_Refeed | Sample source:Mouse liver	phase=positive; RAW_FILE_NAME(Raw file name)=DBLiver_pP_2C.mzML
SUBJECT_SAMPLE_FACTORS           	-	DBLiver_pP_2D	Treatment:WT_Fast_Refeed | Sample source:Mouse liver	phase=positive; RAW_FILE_NAME(Raw file name)=DBLiver_pP_2D.mzML
SUBJECT_SAMPLE_FACTORS           	-	DBLiver_pP_6A	Treatment:LKO_Fast_Refeed | Sample source:Mouse liver	phase=positive; RAW_FILE_NAME(Raw file name)=DBLiver_pP_6A.mzML
SUBJECT_SAMPLE_FACTORS           	-	DBLiver_pP_6B	Treatment:LKO_Fast_Refeed | Sample source:Mouse liver	phase=positive; RAW_FILE_NAME(Raw file name)=DBLiver_pP_6B.mzML
SUBJECT_SAMPLE_FACTORS           	-	DBLiver_nP_1A	Treatment:WT_Fast | Sample source:Mouse liver	phase=negative; RAW_FILE_NAME(Raw file name)=DBLiver_nP_1A.mzML
SUBJECT_SAMPLE_FACTORS           	-	DBLiver_nP_1B	Treatment:WT_Fast | Sample source:Mouse liver	phase=negative; RAW_FILE_NAME(Raw file name)=DBLiver_nP_1B.mzML
SUBJECT_SAMPLE_FACTORS           	-	DBLiver_nP_2A	Treatment:WT_Fast | Sample source:Mouse liver	phase=negative; RAW_FILE_NAME(Raw file name)=DBLiver_nP_2A.mzML
SUBJECT_SAMPLE_FACTORS           	-	DBLiver_nP_4A	Treatment:LKO_Fast | Sample source:Mouse liver	phase=negative; RAW_FILE_NAME(Raw file name)=DBLiver_nP_4A.mzML
SUBJECT_SAMPLE_FACTORS           	-	DBLiver_nP_5A	Treatment:LKO_Fast | Sample source:Mouse liver	phase=negative; RAW_FILE_NAME(Raw file name)=DBLiver_nP_5A.mzML
SUBJECT_SAMPLE_FACTORS           	-	DBLiver_nP_5B	Treatment:LKO_Fast | Sample source:Mouse liver	phase=negative; RAW_FILE_NAME(Raw file name)=DBLiver_nP_5B.mzML
SUBJECT_SAMPLE_FACTORS           	-	DBLiver_nP_3A	Treatment:WT_Fast_FGF21 | Sample source:Mouse liver	phase=negative; RAW_FILE_NAME(Raw file name)=DBLiver_nP_3A.mzML
SUBJECT_SAMPLE_FACTORS           	-	DBLiver_nP_3B	Treatment:WT_Fast_FGF21 | Sample source:Mouse liver	phase=negative; RAW_FILE_NAME(Raw file name)=DBLiver_nP_3B.mzML
SUBJECT_SAMPLE_FACTORS           	-	DBLiver_nP_3C	Treatment:WT_Fast_FGF21 | Sample source:Mouse liver	phase=negative; RAW_FILE_NAME(Raw file name)=DBLiver_nP_3C.mzML
SUBJECT_SAMPLE_FACTORS           	-	DBLiver_nP_6C	Treatment:LKO_Fast_FGF21 | Sample source:Mouse liver	phase=negative; RAW_FILE_NAME(Raw file name)=DBLiver_nP_6C.mzML
SUBJECT_SAMPLE_FACTORS           	-	DBLiver_nP_6D	Treatment:LKO_Fast_FGF21 | Sample source:Mouse liver	phase=negative; RAW_FILE_NAME(Raw file name)=DBLiver_nP_6D.mzML
SUBJECT_SAMPLE_FACTORS           	-	DBLiver_nP_6E	Treatment:LKO_Fast_FGF21 | Sample source:Mouse liver	phase=negative; RAW_FILE_NAME(Raw file name)=DBLiver_nP_6E.mzML
SUBJECT_SAMPLE_FACTORS           	-	DBLiver_nP_2B	Treatment:WT_Fast_Refeed | Sample source:Mouse liver	phase=negative; RAW_FILE_NAME(Raw file name)=DBLiver_nP_2B.mzML
SUBJECT_SAMPLE_FACTORS           	-	DBLiver_nP_2C	Treatment:WT_Fast_Refeed | Sample source:Mouse liver	phase=negative; RAW_FILE_NAME(Raw file name)=DBLiver_nP_2C.mzML
SUBJECT_SAMPLE_FACTORS           	-	DBLiver_nP_2D	Treatment:WT_Fast_Refeed | Sample source:Mouse liver	phase=negative; RAW_FILE_NAME(Raw file name)=DBLiver_nP_2D.mzML
SUBJECT_SAMPLE_FACTORS           	-	DBLiver_nP_6A	Treatment:LKO_Fast_Refeed | Sample source:Mouse liver	phase=negative; RAW_FILE_NAME(Raw file name)=DBLiver_nP_6A.mzML
SUBJECT_SAMPLE_FACTORS           	-	DBLiver_nP_6B	Treatment:LKO_Fast_Refeed | Sample source:Mouse liver	phase=negative; RAW_FILE_NAME(Raw file name)=DBLiver_nP_6B.mzML
#COLLECTION
CO:COLLECTION_SUMMARY            	All mouse studies were approved by the Institutional Care and Use Committee at
CO:COLLECTION_SUMMARY            	Washington University in Saint Louis. To perform infusion studies, a catheter
CO:COLLECTION_SUMMARY            	(Instech, C20PU-MJV1301) was placed in the right jugular vein and connected to a
CO:COLLECTION_SUMMARY            	vascular access button (Instech, VABM1B/25) implanted subcutaneously in the back
CO:COLLECTION_SUMMARY            	of the mice. All surgeries were performed at the Hope Center for Neurological
CO:COLLECTION_SUMMARY            	Diseases, Washington University. Mice were allowed to recover from surgery for
CO:COLLECTION_SUMMARY            	at least one week before tracer infusion. U13C-Glucose (CIL, CLM-1396-PK) was
CO:COLLECTION_SUMMARY            	fresh prepared in saline at a concentration of 200mM. The mice were weighed to
CO:COLLECTION_SUMMARY            	calculate the tracer infusion rate. To begin infusion, the vascular access
CO:COLLECTION_SUMMARY            	button of individual mice was connected to the infusion line with a swivel
CO:COLLECTION_SUMMARY            	(Instech, SMCLA), tether (Instech, KVABM1T/25), and infusion pump (CHEMYX,
CO:COLLECTION_SUMMARY            	Fusion 100T). The infusion line was prefilled with 200mM U13C-Glucose. Prime
CO:COLLECTION_SUMMARY            	infusion was initiated at 1ul/min/g for 2 minutes to clear the catheter locking
CO:COLLECTION_SUMMARY            	solution, followed by continued infusion at 0.1ul/min/g for 2 hours. Following
CO:COLLECTION_SUMMARY            	completion of the glucose infusion, mice were anesthetized and blood was
CO:COLLECTION_SUMMARY            	collected by cardiac puncture. Tissues were subsequently collected as quickly as
CO:COLLECTION_SUMMARY            	possible (in 10 min or less) following euthanasia and snap frozen in liquid
CO:COLLECTION_SUMMARY            	nitrogen. Tissues were stored at −80 °C until processing for LC/MS analysis.
CO:SAMPLE_TYPE                   	Liver
#TREATMENT
TR:TREATMENT_SUMMARY             	Mice are treated with or without FGF21, mice were either 16h-fasted or
TR:TREATMENT_SUMMARY             	14h-fasted plus 2h-refed
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	The liver tissue was mixed with ice-cold methanol:acetonitrile:water (2:2:1),
SP:SAMPLEPREP_SUMMARY            	and subjected to two cycles of 7m/s (30 s/cycle) using an Omni Bead Ruptor Elute
SP:SAMPLEPREP_SUMMARY            	Homogenizer. For every 1 mg of tissue wet weight, 40 L of extraction solvent
SP:SAMPLEPREP_SUMMARY            	was added. Samples were then incubated at -20 C for 1 h to precipitate
SP:SAMPLEPREP_SUMMARY            	protein. Tissue extracts were centrifuged at 20,000 g and 4 C for 10 min, and
SP:SAMPLEPREP_SUMMARY            	the supernatant was transferred into LC/MS vials.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	HILIC
CH:INSTRUMENT_NAME               	Thermo Scientific QExactive Plus Mass Spectrometer
CH:COLUMN_NAME                   	HILICON iHILIC-(P)-Classic column
CH:SOLVENT_A                     	20 mM ammonium bicarbonate, 2.5 M medronic acid, 0.1% ammonium hydroxide in
CH:SOLVENT_A                     	water:acetonitrile 95:5
CH:SOLVENT_B                     	water:acetonitrile 5:95
CH:FLOW_GRADIENT                 	linear gradient
CH:FLOW_RATE                     	0.25 mL min-1: 0 – 1min, 90% B; 12min, 35% B; 12.5 – 14.5min, 25% B; 15min,
CH:FLOW_RATE                     	90% B
CH:COLUMN_TEMPERATURE            	40
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive Plus Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	Other
MS:ION_MODE                      	NEGATIVE
MS:MS_COMMENTS                   	LC/MS data were processed and analyzed with the open-source Skyline software
MS:MS_COMMENTS                   	[Please cite: 10.1021/acs.jproteome.9b00640] Natural-abundance correction of 13C
MS:MS_COMMENTS                   	was performed with AccuCor [Please cite: 10.1021/acs.analchem.7b00396].
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	Raw Area
MS_METABOLITE_DATA_START
Samples	DBLiver_nP_1A	DBLiver_nP_1B	DBLiver_nP_2A	DBLiver_nP_4A	DBLiver_nP_5A	DBLiver_nP_5B	DBLiver_nP_3A	DBLiver_nP_3B	DBLiver_nP_3C	DBLiver_nP_6C	DBLiver_nP_6D	DBLiver_nP_6E	DBLiver_nP_2B	DBLiver_nP_2C	DBLiver_nP_2D	DBLiver_nP_6A	DBLiver_nP_6B
Factors	Treatment:WT_Fast | Sample source:Mouse liver	Treatment:WT_Fast | Sample source:Mouse liver	Treatment:WT_Fast | Sample source:Mouse liver	Treatment:LKO_Fast | Sample source:Mouse liver	Treatment:LKO_Fast | Sample source:Mouse liver	Treatment:LKO_Fast | Sample source:Mouse liver	Treatment:WT_Fast_FGF21 | Sample source:Mouse liver	Treatment:WT_Fast_FGF21 | Sample source:Mouse liver	Treatment:WT_Fast_FGF21 | Sample source:Mouse liver	Treatment:LKO_Fast_FGF21 | Sample source:Mouse liver	Treatment:LKO_Fast_FGF21 | Sample source:Mouse liver	Treatment:LKO_Fast_FGF21 | Sample source:Mouse liver	Treatment:WT_Fast_Refeed | Sample source:Mouse liver	Treatment:WT_Fast_Refeed | Sample source:Mouse liver	Treatment:WT_Fast_Refeed | Sample source:Mouse liver	Treatment:LKO_Fast_Refeed | Sample source:Mouse liver	Treatment:LKO_Fast_Refeed | Sample source:Mouse liver
Glucose	480156800	882604928	499437696	125763656	293439328	485249152	678298752	223717440	163012528	133915584	159170640	374747040	1395069440	758731328	2395122432	521610816	498379872
Glucose-6-phosphate	43197532	64558536	23987820	2586056	16285684	33237972	43083460	3992633	3388081	3137489	2889526	12840053	42202428	61310848	274516320	28321278	50239020
2-PG	12374171	21356494	6991031	7964541	6085206	6305328	20715944	3960325	3455312	5526133	6124147	4181681	19532216	25861020	34636208	8686202	7582216
Phosphoenolpyruvate	866342	791281	643324	539494	64193	45430	589308	3109	549157	543435	532061	16457	700669	775258	465119	607412	686933
Pyruvate	18866746	19151740	18832384	13439330	13128332	11897089	16212395	11663147	11850837	12418637	17297960	13334051	14460763	16539466	35076656	14823320	14777251
Lactate	9621530624	16057648128	12883002368	10296256512	5899410432	8729619456	16923632640	5113273344	4451938304	10232492032	11137055744	7193425408	41485320192	39288979456	44350894080	15849614336	12110410752
Ribose-5-phosphate	58113688	77858008	49686776	32878508	22795652	45343520	50863772	22255588	24847362	41208376	47779248	50443940	42148724	27552896	249951792	23975352	31399300
6-Phosphogluconic acid	1323099	2439484	681286	153625	327969	663307	911147	75063	27277	38200	101589	540475	1234848	1053630	10063038	380069	1253981
Sedoheptulose 7-phosphate	16544717	33985264	15007709	5508506	6672661	17239472	19178208	5519113	4697487	5852050	9128590	13715090	32709426	23213958	139359808	12311577	20244984
Citrate	516644544	1057949952	363808512	441217824	385878880	421823552	590001600	285443936	297473248	266429872	373263232	299494848	535257536	586427072	1563259904	326879648	450276352
a-KG	38488920	77399888	30338852	46262640	22987268	37852520	45603312	19830480	19539756	15973742	28363184	19769698	32300342	40774748	128373552	24280408	16380314
Succinate	244890064	990918144	346444352	574207424	159856656	398876832	187628848	410825856	325499392	440717728	463554400	231071968	1767231232	1367043968	1872652672	408123392	164991280
Fumarate	168015968	415871328	209233616	294795744	154898480	169733456	277902528	102796176	146060384	233125264	278398688	163063824	232233552	434228992	1020489536	178681472	154631392
Malate	3604358144	8854284288	4832132096	5582373888	3704126976	4308620288	5194343936	2451381760	3721732352	5701744128	6773993472	4197372672	5252085760	9807814656	20193597440	4252018944	3903304704
2-hydroxyglutaric acid	240765040	825519168	260398896	278296992	249163776	373898112	177928304	305018816	243820944	144612320	139004864	226134400	350968224	804880512	804263296	285909984	240192032
Aspartate	1055731840	1476190336	781636352	1266182144	836472384	679047232	975629120	571958976	848326784	1230984832	1112811776	756839104	782186880	1143199232	2868512768	548496256	669335168
Glycine	68259800	106545992	57118048	31243582	36928052	60373144	73587328	32204002	45130420	40838872	105111984	41843624	63783196	54582116	157860416	41773148	37478568
Glycerol	73243960	99021328	89861336	43207972	34509376	84685680	81468648	61619548	53207004	52757584	33911688	59128916	85955800	66929504	316067648	43596280	52405924
Glycerol 3-phosphate	564143936	1060724544	480222656	250911472	270049920	565568128	600453312	272594016	238152832	349461344	236401712	419648256	828040000	715006528	2262191616	442825568	293300832
Glutarate	14431437	44466192	26085316	43003760	5991175	19447814	5313032	22010828	19069610	16114518	78457504	12001544	15402151	60868664	25226802	8397559	5896338
Uracil	43099168	61078876	61937444	121360000	39847292	27087522	34376548	40135768	54211464	103717120	86324616	49796976	65216880	60468896	98995096	15633902	23699420
Thymine	13530674	16347498	16985918	13188573	16005537	3712636	10228676	4218043	17774708	4800205	3542304	13351751	11655512	24446440	30974994	2396955	12398025
Uridine	193236864	262677264	317376032	188203488	106877824	230363440	191453088	224638512	183001296	238417520	190345920	280565952	355148000	146109584	720596224	134106504	139375904
Glutathione, reduced	1755520256	1721422592	1583189632	649499776	964865344	1734273280	1775248896	704842176	1184387328	997023744	1081554304	1270212608	2871291904	3527170048	8062845440	1974977024	1934427904
Glutathione, oxidized	31223032	102938944	26094398	17623056	23541216	26369286	29750114	26404576	19720642	22217976	19624424	24529796	55212576	42646844	258181520	23241062	31151010
CMP	26673190	24600076	19325264	10145936	18694758	15256873	14926639	9824421	17955596	17048254	24275226	19548478	14256870	22817016	57435980	9092801	13079652
NADH	4043572	13123770	3110380	4181453	4986809	11545408	4729106	10337629	10218804	12716837	9047429	5422194	8118237	14166142	12101767	7645597	4529963
NADP+	3357187	6851003	3748773	1783630	1836469	3747216	2845240	3172994	3684371	2952860	3597391	3510369	1951523	2709891	10906322	1341561	2859912
NADPH	1324209	3103453	1263168	22942	553486	1867970	1249932	816162	1463816	1246077	723018	1176339	356000	1039178	6947540	366688	1817538
UDP-glucose / UDP-galatose	82560712	146521648	45100788	20150600	30173508	64986004	69313904	47957700	51073092	27047722	27206286	57198708	100358512	90304856	238876448	50079260	54746476
Uridine 5'-diphosphoglucuronic acid	43897508	40392416	26171820	12656164	24112846	26406326	16889358	13886182	27506414	7867397	22550402	27891988	12143989	54983488	169467968	31210834	36279032
UDP-N-acetylglucosamine	85376168	101022840	96928248	61732040	60039864	70777200	77434000	57915780	72271272	115419248	131307664	90567008	69535592	99039752	186122176	51145932	51451748
Glucosamine-6-phosphate	2812156	5421571	2037934	1848528	1340984	2581054	2619829	2013957	2158125	2018198	1500236	1680246	3337227	4228220	6432239	1677624	1585147
GlcNAc-Phosphate	0	0	0	0	0	5718	0	0	0	0	7659	0	0	0	0	0	0
UDP-N-acetyl muraminate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Acetyl-CoA	1169654	890158	1674608	649039	586669	3117003	530068	731420	2134511	2106972	1299321	1516314	389411	537678	197791	485526	326333
Orotic acid	10477674	12608065	12531349	19543038	5879762	4950648	10127371	6640715	6565998	32464250	40434212	9302370	17159926	45768736	38087936	19607708	14476646
Palmitate	3229979648	2189756416	2274438656	1067930496	1837095936	3229257728	3272381440	1473772288	2061260800	1653724288	1898000896	2345625088	937142144	2530629888	5915772928	2055014528	2629861632
Oleate	769002560	590274880	741495040	371477120	544163072	713695936	573362560	351071616	587644800	267307392	255609056	752795968	224233040	231786528	2359258624	363161792	569086592
Stearate	876690176	573144256	745127936	529670592	571861120	1002561920	902027328	541457216	578117760	874611264	997961024	799515072	317304992	1077764352	1204598784	795790976	859489472
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	retention index	quantified m/z	PubChem ID	KEGG ID
Glucose	6.09	179.06	3565	C00267
Glucose-6-phosphate	8.1	259.02	3392	C00092
2-PG	8.33	184.99	3904	C00631
Phosphoenolpyruvate	7.58	166.98	3374	C00074
Pyruvate	1.29	87.01	3324	C00022
Lactate	2.06	89.02	3555	C00256
Ribose-5-phosphate	7.06	229.01	3417	C00117
6-Phosphogluconic acid	8.77	275.02	3638	C00345
Sedoheptulose 7-phosphate	7.76	289.03	7756	C05382
Citrate	8.77	191.02	3458	C00158
a-KG	7.11	145.01	3328	C00026
Succinate	6.87	117.02	3344	C00042
Fumarate	6.7	115.00	3422	C00122
Malate	7.48	133.01	3780	C00497
2-hydroxyglutaric acid	7.06	147.03	5610	C02630
Aspartate	6.69	132.03	3351	C00049
Glycine	6.71	74.02	3339	C00037
Glycerol	2.89	91.04	3416	C00116
Glycerol 3-phosphate	6.93	171.01	3393	C00093
Glutarate	6.76	131.03	3772	C00489
Uracil	2.25	111.02	3406	C00106
Thymine	1.97	125.04	3478	C00178
Uridine	3.14	243.06	3593	C00299
Glutathione, reduced	6.41	306.08	3353	C00051
Glutathione, oxidized	8.57	611.14	3427	C00127
CMP	7.51	322.04	3357	C00055
NADH	6.47	664.12	3306	C00004
NADP+	8.36	742.07	3308	C00006
NADPH	8.79	744.08	4114	C00857
UDP-glucose / UDP-galatose	7.88	565.05	3331/3354	C00029/C00052
Uridine 5'-diphosphoglucuronic acid	9.42	579.03	3467	C00167
UDP-N-acetylglucosamine	7.28	606.07	3345	C00043
Glucosamine-6-phosphate	7.1	258.04	3645	C00352
GlcNAc-Phosphate	6.28	300.05	7115	C04501
UDP-N-acetyl muraminate	7.74	678.10	4292	C01050
Acetyl-CoA	6.41	808.12	3326	C00024
Orotic acid	2.52	155.01	3589	C00295
Palmitate	0.93	255.23	3548	C00249
Oleate	0.92	281.25	3978	C00712
Stearate	0.92	283.26	4692	C01530
METABOLITES_END
#END