#METABOLOMICS WORKBENCH cwilso6_20200527_060231 DATATRACK_ID:2021 STUDY_ID:ST001402 ANALYSIS_ID:AN002344 PROJECT_ID:PR000962
VERSION             	1
CREATED_ON             	June 22, 2020, 2:24 pm
#PROJECT
PR:PROJECT_TITLE                 	Ontogeny related changes in the pediatric liver metabolome
PR:PROJECT_SUMMARY               	A major challenge in implementing personalized medicine in pediatrics is
PR:PROJECT_SUMMARY               	identifying appropriate drug dosages for children. The majority of drug dosing
PR:PROJECT_SUMMARY               	studies have been based on adult populations, often with modification of the
PR:PROJECT_SUMMARY               	dosing for children based on size and weight. However, the growth and
PR:PROJECT_SUMMARY               	development experienced by children between birth and adulthood represents a
PR:PROJECT_SUMMARY               	dynamically changing biological system, with implications for effective drug
PR:PROJECT_SUMMARY               	dosing, efficacy as well as potential drug toxicity. The purpose of this study
PR:PROJECT_SUMMARY               	was to apply a metabolomics approach to gain preliminary insights into the
PR:PROJECT_SUMMARY               	ontogeny of liver function from newborn to adolescent.
PR:INSTITUTE                     	Moffitt Cancer Center
PR:LAST_NAME                     	Fridley
PR:FIRST_NAME                    	Brooke
PR:ADDRESS                       	12902 USF Magnolia Dr
PR:EMAIL                         	brooke.fridley@moffitt.org
PR:PHONE                         	813-745-1461
#STUDY
ST:STUDY_TITLE                   	Ontogeny related changes in the pediatric liver metabolome
ST:STUDY_SUMMARY                 	A major challenge in implementing personalized medicine in pediatrics is
ST:STUDY_SUMMARY                 	identifying appropriate drug dosages for children. The majority of drug dosing
ST:STUDY_SUMMARY                 	studies have been based on adult populations, often with modification of the
ST:STUDY_SUMMARY                 	dosing for children based on size and weight. However, the growth and
ST:STUDY_SUMMARY                 	development experienced by children between birth and adulthood represents a
ST:STUDY_SUMMARY                 	dynamically changing biological system, with implications for effective drug
ST:STUDY_SUMMARY                 	dosing, efficacy as well as potential drug toxicity. The purpose of this study
ST:STUDY_SUMMARY                 	was to apply a metabolomics approach to gain preliminary insights into the
ST:STUDY_SUMMARY                 	ontogeny of liver function from newborn to adolescent.
ST:INSTITUTE                     	Moffitt Cancer Center
ST:LAST_NAME                     	Fridley
ST:FIRST_NAME                    	Brooke
ST:ADDRESS                       	12902 USF Magnolia Drive
ST:EMAIL                         	brooke.fridley@moffitt.org
ST:PHONE                         	813-745-1461
#SUBJECT
SU:SUBJECT_TYPE                  	Human
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
SU:AGE_OR_AGE_RANGE              	0-18 years old
SU:GENDER                        	Male and female
#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           	-	CMH1055	GROUP_DESCRIPTION:< 1 year of age	
SUBJECT_SAMPLE_FACTORS           	-	CMH1157	GROUP_DESCRIPTION:< 1 year of age	
SUBJECT_SAMPLE_FACTORS           	-	CMH1281	GROUP_DESCRIPTION:< 1 year of age	
SUBJECT_SAMPLE_FACTORS           	-	CMH1296	GROUP_DESCRIPTION:< 1 year of age	
SUBJECT_SAMPLE_FACTORS           	-	CMH1325	GROUP_DESCRIPTION:< 1 year of age	
SUBJECT_SAMPLE_FACTORS           	-	CMH1547	GROUP_DESCRIPTION:< 1 year of age	
SUBJECT_SAMPLE_FACTORS           	-	CMH1860	GROUP_DESCRIPTION:6 to 11.99 years	
SUBJECT_SAMPLE_FACTORS           	-	CMH346	GROUP_DESCRIPTION:1 to 5.99 years	
SUBJECT_SAMPLE_FACTORS           	-	CMH435	GROUP_DESCRIPTION:< 1 year of age	
SUBJECT_SAMPLE_FACTORS           	-	CMH569	GROUP_DESCRIPTION:< 1 year of age	
SUBJECT_SAMPLE_FACTORS           	-	CMH617	GROUP_DESCRIPTION:1 to 5.99 years	
SUBJECT_SAMPLE_FACTORS           	-	CMH64	GROUP_DESCRIPTION:12 to 18 years	
SUBJECT_SAMPLE_FACTORS           	-	CMH677	GROUP_DESCRIPTION:1 to 5.99 years	
SUBJECT_SAMPLE_FACTORS           	-	CMH689	GROUP_DESCRIPTION:1 to 5.99 years	
SUBJECT_SAMPLE_FACTORS           	-	CMH70898	GROUP_DESCRIPTION:6 to 11.99 years	
SUBJECT_SAMPLE_FACTORS           	-	CMH70994	GROUP_DESCRIPTION:12 to 18 years	
SUBJECT_SAMPLE_FACTORS           	-	CMH71000	GROUP_DESCRIPTION:6 to 11.99 years	
SUBJECT_SAMPLE_FACTORS           	-	CMH71281	GROUP_DESCRIPTION:12 to 18 years	
SUBJECT_SAMPLE_FACTORS           	-	CMH759	GROUP_DESCRIPTION:< 1 year of age	
SUBJECT_SAMPLE_FACTORS           	-	CMH774	GROUP_DESCRIPTION:< 1 year of age	
SUBJECT_SAMPLE_FACTORS           	-	CMH780	GROUP_DESCRIPTION:< 1 year of age	
SUBJECT_SAMPLE_FACTORS           	-	CMH792	GROUP_DESCRIPTION:1 to 5.99 years	
SUBJECT_SAMPLE_FACTORS           	-	CMH825	GROUP_DESCRIPTION:< 1 year of age	
SUBJECT_SAMPLE_FACTORS           	-	CMH86	GROUP_DESCRIPTION:< 1 year of age	
SUBJECT_SAMPLE_FACTORS           	-	CMH872	GROUP_DESCRIPTION:1 to 5.99 years	
SUBJECT_SAMPLE_FACTORS           	-	CMH885	GROUP_DESCRIPTION:12 to 18 years	
SUBJECT_SAMPLE_FACTORS           	-	CMH8902	GROUP_DESCRIPTION:6 to 11.99 years	
SUBJECT_SAMPLE_FACTORS           	-	CMH8906	GROUP_DESCRIPTION:12 to 18 years	
SUBJECT_SAMPLE_FACTORS           	-	CMH8910	GROUP_DESCRIPTION:12 to 18 years	
SUBJECT_SAMPLE_FACTORS           	-	CMH8917	GROUP_DESCRIPTION:6 to 11.99 years	
SUBJECT_SAMPLE_FACTORS           	-	CMH8920	GROUP_DESCRIPTION:6 to 11.99 years	
SUBJECT_SAMPLE_FACTORS           	-	CMH8925	GROUP_DESCRIPTION:6 to 11.99 years	
SUBJECT_SAMPLE_FACTORS           	-	CMH8926	GROUP_DESCRIPTION:1 to 5.99 years	
SUBJECT_SAMPLE_FACTORS           	-	CMH8935	GROUP_DESCRIPTION:12 to 18 years	
SUBJECT_SAMPLE_FACTORS           	-	CMH9003	GROUP_DESCRIPTION:6 to 11.99 years	
SUBJECT_SAMPLE_FACTORS           	-	CMH9006	GROUP_DESCRIPTION:6 to 11.99 years	
SUBJECT_SAMPLE_FACTORS           	-	CMH9011	GROUP_DESCRIPTION:1 to 5.99 years	
SUBJECT_SAMPLE_FACTORS           	-	CMH9013	GROUP_DESCRIPTION:6 to 11.99 years	
SUBJECT_SAMPLE_FACTORS           	-	CMH9023	GROUP_DESCRIPTION:1 to 5.99 years	
SUBJECT_SAMPLE_FACTORS           	-	CMH9027	GROUP_DESCRIPTION:12 to 18 years	
SUBJECT_SAMPLE_FACTORS           	-	CMH9032	GROUP_DESCRIPTION:12 to 18 years	
SUBJECT_SAMPLE_FACTORS           	-	CMH9036	GROUP_DESCRIPTION:1 to 5.99 years	
SUBJECT_SAMPLE_FACTORS           	-	CMH9101	GROUP_DESCRIPTION:1 to 5.99 years	
SUBJECT_SAMPLE_FACTORS           	-	CMH9127	GROUP_DESCRIPTION:12 to 18 years	
SUBJECT_SAMPLE_FACTORS           	-	CMH9608	GROUP_DESCRIPTION:1 to 5.99 years	
SUBJECT_SAMPLE_FACTORS           	-	CMH9609	GROUP_DESCRIPTION:1 to 5.99 years	
SUBJECT_SAMPLE_FACTORS           	-	CMH9611	GROUP_DESCRIPTION:6 to 11.99 years	
SUBJECT_SAMPLE_FACTORS           	-	CMH9612	GROUP_DESCRIPTION:1 to 5.99 years	
#COLLECTION
CO:COLLECTION_SUMMARY            	Postmortem pediatric human liver tissue samples were obtained through the Brain
CO:COLLECTION_SUMMARY            	and Tissue Bank for Developmental Disorders at the University of Maryland
CO:COLLECTION_SUMMARY            	(Baltimore, MD), the Liver Tissue Cell Distribution System (LTCDS; University of
CO:COLLECTION_SUMMARY            	Pittsburgh and University of Minnesota), and XenoTech LLC (Lenexa, KS). The use
CO:COLLECTION_SUMMARY            	of these tissues was classified as nonhuman subject research by the Children's
CO:COLLECTION_SUMMARY            	Mercy Hospital Pediatric Institutional Review Board A replication set of
CO:COLLECTION_SUMMARY            	post-mortem liver tissue samples from autopsy of fetuses (from therapeutic
CO:COLLECTION_SUMMARY            	abortions or stillbirths) and infants was provided by the Erasmus Medical Center
CO:COLLECTION_SUMMARY            	Tissue Bank, Sophia Children’s Hospital, Rotterdam, The Netherlands. Tissue
CO:COLLECTION_SUMMARY            	was procured at the time of autopsy within 24 h after death and snap-frozen at
CO:COLLECTION_SUMMARY            	−80 °C for later research use. The Erasmus Medical Center Research Ethics
CO:COLLECTION_SUMMARY            	Board waived the need for formal ethics approval according to the Dutch Law on
CO:COLLECTION_SUMMARY            	Medical Research in Humans. Tissue was collected when parental written informed
CO:COLLECTION_SUMMARY            	consent for both autopsy and the explicit use of the tissue for research was
CO:COLLECTION_SUMMARY            	present. Samples were selected based on the absence of a clinical diagnosis or
CO:COLLECTION_SUMMARY            	medications affecting the liver (CMH and Erasmus), and tissue that was
CO:COLLECTION_SUMMARY            	histologically normal (Erasmus). Samples were stratified into four age groups:
CO:COLLECTION_SUMMARY            	less than one year of age (age group 1), one to less than six years (age group
CO:COLLECTION_SUMMARY            	2), six to less than 12 years (age group 3), and 12 to 18 years of age (age
CO:COLLECTION_SUMMARY            	group 4). In total 98 liver samples were available for metabolomic analysis.
CO:SAMPLE_TYPE                   	Liver
#TREATMENT
TR:TREATMENT_SUMMARY             	No treatment.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Experiment 1 The first experiment was completed using the first set of samples
SP:SAMPLEPREP_SUMMARY            	(N = 48) (referred to as “batch 1”). Metabolite extraction and detection
SP:SAMPLEPREP_SUMMARY            	were performed at Metabolon Inc. (Durham, NC, USA) as previously described
SP:SAMPLEPREP_SUMMARY            	(Evans et al., 2009). Briefly, liver samples were extracted through the
SP:SAMPLEPREP_SUMMARY            	automated MicroLab STAR® system (Hamilton Company, UT, USA), centrifuged, and
SP:SAMPLEPREP_SUMMARY            	the resulting supernatants were analyzed by UPLC-MS/MS in a positive and
SP:SAMPLEPREP_SUMMARY            	negative ion mode (UPLC: Waters, Milford, MA; mass spectrometer: Thermo-Finnigan
SP:SAMPLEPREP_SUMMARY            	LTQ, Thermo Fisher Scientific, Waltham, MA, scan range, 80–1000 m/z) and by
SP:SAMPLEPREP_SUMMARY            	GC-MS (Thermo-Finnigan Trace DSQ fast-scanning single-quadrupole mass
SP:SAMPLEPREP_SUMMARY            	spectrometer, scan range 50–750 m/z). The final experiment 1 metabolomic
SP:SAMPLEPREP_SUMMARY            	dataset comprised a total of 751 biochemicals, 478 scompounds of known identity
SP:SAMPLEPREP_SUMMARY            	(named biochemicals) and 273 compounds of unknown structural identity. As
SP:SAMPLEPREP_SUMMARY            	initial statistical analysis revealed an age-dependent effect that could not be
SP:SAMPLEPREP_SUMMARY            	distinguished from a tissue source-related effect, a replication set of group 1
SP:SAMPLEPREP_SUMMARY            	samples was obtained through collaboration with Erasmus Medical Center/Sophia
SP:SAMPLEPREP_SUMMARY            	Children’s Hospital. Experiment 2 Given that the metabolomic platform changed
SP:SAMPLEPREP_SUMMARY            	between the first analysis and the sample set containing the replication
SP:SAMPLEPREP_SUMMARY            	samples, the second experiment examined the entire set of 98 samples. The same
SP:SAMPLEPREP_SUMMARY            	48 samples previously processed in Experiment 1 and designated as “batch 1”
SP:SAMPLEPREP_SUMMARY            	above were re-analyzed on the new platform, with the results designated “batch
SP:SAMPLEPREP_SUMMARY            	2”. The replication samples from Erasmus/Sophia Children’s Hospital and
SP:SAMPLEPREP_SUMMARY            	additional samples from CMH (N=50) are designated as “batch 3”. Following
SP:SAMPLEPREP_SUMMARY            	the sample extraction, the resulting extract was analyzed using a Waters ACQUITY
SP:SAMPLEPREP_SUMMARY            	ultra-performance liquid chromatography (UPLC) and a Thermo Scientific
SP:SAMPLEPREP_SUMMARY            	Q-Exactive high resolution/accurate mass spectrometer interfaced with a heated
SP:SAMPLEPREP_SUMMARY            	electrospray ionization (HESI-II) source and Orbitrap mass analyzer operated at
SP:SAMPLEPREP_SUMMARY            	35,000 mass resolution (Evans et al., 2014). Four methods were utilized: two
SP:SAMPLEPREP_SUMMARY            	separate reverse phase (RP)/UPLC-MS/MS methods with positive ion mode
SP:SAMPLEPREP_SUMMARY            	electrospray ionization (ESI), RP/UPLC-MS/MS with negative ion mode ESI, and
SP:SAMPLEPREP_SUMMARY            	HILIC/UPLC-MS/MS with negative ion mode ESI. The MS analysis alternated between
SP:SAMPLEPREP_SUMMARY            	MS and data-dependent MSn scans using dynamic exclusion. The scan range varied
SP:SAMPLEPREP_SUMMARY            	slighted between methods but covered 70-1000 m/z. The final experiment 2
SP:SAMPLEPREP_SUMMARY            	metabolomic dataset comprised a total of 971 biochemicals, 779 compounds of
SP:SAMPLEPREP_SUMMARY            	known identity (named biochemicals) and 192 compounds of unknown structural
SP:SAMPLEPREP_SUMMARY            	identity.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	UPLC
CH:INSTRUMENT_NAME               	Thermo Trace 1310
CH:COLUMN_NAME                   	Waters Acquity BEH C8 (100 x 2.1mm, 1.7um)
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Trace DSQ
MS:INSTRUMENT_TYPE               	Single quadrupole
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	UNSPECIFIED
MS:MS_COMMENTS                   	Metabolon
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	estimated abundances
MS_METABOLITE_DATA_START
Samples	CMH1157	CMH1281	CMH1296	CMH1325	CMH1547	CMH1860	CMH346	CMH435	CMH569	CMH617	CMH64	CMH677	CMH689	CMH70898	CMH70994	CMH71000	CMH71281	CMH759	CMH774	CMH780	CMH792	CMH825	CMH86	CMH872	CMH885	CMH8902	CMH8906	CMH8910	CMH8917	CMH8920	CMH8925	CMH8926	CMH8935	CMH9003	CMH9006	CMH9011	CMH9013	CMH9023	CMH9027	CMH9032	CMH9036	CMH9101	CMH9127	CMH9608	CMH9609	CMH9611	CMH9612
Factors	GROUP_DESCRIPTION:< 1 year of age	GROUP_DESCRIPTION:< 1 year of age	GROUP_DESCRIPTION:< 1 year of age	GROUP_DESCRIPTION:< 1 year of age	GROUP_DESCRIPTION:< 1 year of age	GROUP_DESCRIPTION:6 to 11.99 years	GROUP_DESCRIPTION:1 to 5.99 years	GROUP_DESCRIPTION:< 1 year of age	GROUP_DESCRIPTION:< 1 year of age	GROUP_DESCRIPTION:1 to 5.99 years	GROUP_DESCRIPTION:12 to 18 years	GROUP_DESCRIPTION:1 to 5.99 years	GROUP_DESCRIPTION:1 to 5.99 years	GROUP_DESCRIPTION:6 to 11.99 years	GROUP_DESCRIPTION:12 to 18 years	GROUP_DESCRIPTION:6 to 11.99 years	GROUP_DESCRIPTION:12 to 18 years	GROUP_DESCRIPTION:< 1 year of age	GROUP_DESCRIPTION:< 1 year of age	GROUP_DESCRIPTION:< 1 year of age	GROUP_DESCRIPTION:1 to 5.99 years	GROUP_DESCRIPTION:< 1 year of age	GROUP_DESCRIPTION:< 1 year of age	GROUP_DESCRIPTION:1 to 5.99 years	GROUP_DESCRIPTION:12 to 18 years	GROUP_DESCRIPTION:6 to 11.99 years	GROUP_DESCRIPTION:12 to 18 years	GROUP_DESCRIPTION:12 to 18 years	GROUP_DESCRIPTION:6 to 11.99 years	GROUP_DESCRIPTION:6 to 11.99 years	GROUP_DESCRIPTION:6 to 11.99 years	GROUP_DESCRIPTION:1 to 5.99 years	GROUP_DESCRIPTION:12 to 18 years	GROUP_DESCRIPTION:6 to 11.99 years	GROUP_DESCRIPTION:6 to 11.99 years	GROUP_DESCRIPTION:1 to 5.99 years	GROUP_DESCRIPTION:6 to 11.99 years	GROUP_DESCRIPTION:1 to 5.99 years	GROUP_DESCRIPTION:12 to 18 years	GROUP_DESCRIPTION:12 to 18 years	GROUP_DESCRIPTION:1 to 5.99 years	GROUP_DESCRIPTION:1 to 5.99 years	GROUP_DESCRIPTION:12 to 18 years	GROUP_DESCRIPTION:1 to 5.99 years	GROUP_DESCRIPTION:1 to 5.99 years	GROUP_DESCRIPTION:6 to 11.99 years	GROUP_DESCRIPTION:1 to 5.99 years
1-arachidonoylglycerophosphocholine (20:4n6)*	118848	90439	78450	145721	117439	66561	68421	81355		81384	96115	188119	74026	138649		63451		146353	57117	31647		77317	125429		129612	120868	61806	88105	52925	116157	41296	144135	98913	293490	36022	26467	132717	91404	224314	28758	56874		116765	88105	48332	62521	84191
1-arachidonoylglycerophosphoethanolamine*	828049	281597	259658	454191	395708	465601	246154	248305	131353	538560	293275	466099	424706	662771	60545	349513	44960	767216	591306	334283	264047	234400	617397	251121	511646	389141	590887	205694	210650	475765	212469	348954	322040	996835	162874	155240	652641	283183	800115	141357	233499	179660	504432	257194	271095	206113	305518
1-arachidonoylglycerophosphoinositol*	552979	372155	284372	316795	487025	718286	376073	1511903	357121	344805	403137	671603	385897	3637006	294841	616706	191966	1008096	351996	486366	172648	1106127	2382490	202401	1507616	1281365	543051	231377	432890	1375818	342364	502129	543286	2489788	316272	303741	2463771	352995	2027908	402549	752663	522960	874004	502787	312093	595332	912312
1-docosahexaenoylglycerophosphocholine (22:6n3)*			53283	262102	114043	325766	84559		244636		114043	319877	58479	48807			133691		130031	36214	104285	254676		73586			185969	22137	42425		43675		112665		296824	143327		41637			60881	164118	76110	428026	138192		
1-eicosatrienoylglycerophosphocholine (20:3)*	35412	33724		261497	115219	246566	57345	31347	231536	23037	96241	191358	140855	130454		61073			125620	133263	143908	251859	135074		66830		201171	25531	71617	133319			85377		288975	153699	51190	90755	87806	55145	168769	63841	81892	433990	183466		157754
1-linoleoylglycerophosphocholine (18:2n6)	499027		325804	855792	476231		621582		627147	125882	706475	1433300	677173	1135450	125620	536508		57833	609217	808286	142094	1335731	747095		781264	154839		180066	148271	506369	298878	53620	292806	58282	552553		280531	510780	49648	290294		622304	667341		416049	66395	772229
1-linoleoylglycerophosphoethanolamine*	653815	261170	255939	369290	312177	318789	155411	158318	155683	400805	195673	373333	431667	299784	30103	649951	38686	497830	295302	217384	92555	172298	409492	130813	237606	323260	574080	185889	154748	355641	231793	177577	182565	530729	114188	76778	405687	183210	298661	89271	108562	173326	529356	168168	137251	108382	223196
1-linoleoylglycerophosphoinositol*	231385	183834	124932	166517	215594	198141	186240	372615	156395	170209	397138	342455	219069	1148171	167276	555867	49804	552383	79288	164478	59329	515808	653693	47436	410925	485772	474092	104719	76325	533968	157907	215729	204267	1073551	141040	179237	651423	232104	1461647	186348	180321	177660	514914	184830	161507	297603	453158
1-linoleoylglycerophosphoserine*	328178	182333	278547	350798	86576	262468	92187		181131	242743	208255	222618	225686	66136		106782			131969	102210	25955	39316	52335	71900	45660	104793	102561	62853	45160	66289	58547	54289	43903	358809			53837	35887	96788		9784	66538	40752		39940	30062	102391
1-margaroylglycerophosphocholine (17:0)			30137	30834	52843	125466	102233		122528		97241	206493	134413	92381	35443	107012	86581			31771	83413	709144	42041				147567	22555	29188	25511	47479		44975		88481	78346					126087	191610		199778	45872		75792
1-margaroylglycerophosphoethanolamine*	17955	13586	11194	4889	9154	17806	17927	23205	41409	7350	22501	58449	81101	47995	13177	191338	11492	85854	7467	21446	11919	181201	11876	4129	12005	20400	80450	25369	21158	27543	18310	16045	19135	64997	7369	17938	30483	20779	61281	8472	23339	32929	47348	27690		16173	47631
1-methylimidazoleacetate	39055	42908	49792	38748		15631		59307	128907	30410	10852	22501	26901	125325	124430	22953			30474	20106		38748	116435	7883	30369	62570		43662	24784	54665	42116	20942	61652	31131	36550	26756	49096	28468	46089	47610	35859		26873		71393		
1-myristoylglycerophosphocholine (14:0)	33787			162388	107109	117708	47853	35323	166869		78782	83954	59804	95741		46281			51697	128707	60197	237004		88231	59312	28424	53914			55228	45702		99479		167615	52783	31024	109404			108872	124848	26300	150037	90422		85250
1-oleoylglycerol (1-monoolein)	161005	144623	24626	129871	213441	123105	54607	698925	146373	93240	39407	233098	188706	352451		1020719	92983	274079	66592	48025	41258	348992	245621	32103	378573	707521	215624	928395	287161	343812	443362	849115	240999	525800	143430	89356	374844	359848	533651	256526	162793	250243	613904	263545	172019	621705	789503
1-oleoylglycerophosphocholine (18:1)	330816	13586	283086	953746	602406	1389742	1965387		1337210	128576	1060257	2526212	1292083	1311238	421371	520509	723699		646266	1131470	629294	4356424	651095	371358	543642	60393	1106577	108379	215783	388937	447531	48200	234256	66092	2526340	602406	154226	527109	105625	293864	1890866	1332783	455535	3368650	1113753	68989	934417
1-oleoylglycerophosphoethanolamine	467519	417656	181502	335314	322846	363585		260675	779812	199394	341339	842151	573242	800076	283203	2380917	153279	488305	216332	266038	183091	1783212	366741	100949	248328	265718	476589	346413	321908	340863	299913	265616	165886	810272	372158	204557	546626	103998	446787	153562	174595	448854	709971	562764	290484	139688	379095
1-oleoylglycerophosphoinositol*	89495	170492		180601	199172	242278	14209	669880	346904	91943	90239	316902	390816	729031	51983	1002644	347359	316990	76619	37061	79930	350668	574045	85870	314949	600849	416250	171955	91605	168560	207109	140658	223849	1585936	278911	233064	897053	228794	1174980	106873	306581	277136	778911	367964	161923	199395	904607
1-palmitoleoylglycerophosphocholine (16:1)*			91401	102694	103171	311926	375482		245192	103705	111989	387143	267299	392369	179725	187243	178424		139607		265445	692743	113399	96364	182142	18252	225075		50583	187243	124194		99797		1014062	313932	63541	211995		130503	512617	272305	141895	1462244	601658		222396
1-palmitoylglycerol (1-monopalmitin)	419686	349953	88541	449487	398630	285292	202331	1698079	656940	265906	127853	366728	320113	1317959	111142	1481925	305588	587802	211958	161011	322702	1960121	1287677	140863	1135926	2284584	751533	1730660	874773	1626017	907447	1496914	982973	2488083	819603	718109	1519681	954784	2463817	924043	726701	761103	1243528	862452	757730	1404971	1409139
1-palmitoylglycerophosphocholine (16:0)	2114851	80716	3855066	6756906	4523897	11563416	6203503	334919	12476520	1052538	6283849	11107313	8342155	11054756	3434837	4046732	4251273	116904	4442939	8189796	7326784	22993936	3330918	2899444	6637569	961615	9388983	945523	1895467	2613493	2504346	474440	3313348	450270	7712508	5043388	841158	2856812	463730	2129970	9343896	9636266	3291167	13372361	5439592	457514	4955405
1-palmitoylglycerophosphoethanolamine	962704	851062	637633	471270	486946	462688	359526	512230	1946807	501163	336312	818419	1288580	1182801	578596	1951353	342331	1887276	509736	585970	870568	4280642	812391	217628	702726	824241	915492	509999	514878	1045855	579859	404405	753749	2100557	618662	537936	1170380	715930	1319916	322992	670418	891738	876566	1081138	524885	438184	839204
1-palmitoylglycerophosphoglycerol*	113816	159144	110140	77310	40949	141774	41956	235911	642613	113675	97444	70414	117605	595859	61726	959713	118646	426038	43951	30296	69295	1625203	208820	48920	134414	190257	142752	51813	107896	331667	80369	33358	120808	1723994	27667	61482	242929	92856	878441	74450	117149	222259	95509	246093	63716	109886	347021
1-palmitoylglycerophosphoinositol*	337412	307019	240770	319219	373828	221202	127395	449350	847776	263706	163670	210104	267621	518046	109153	1061797	240742	283785	210063	172125	628820	815121	606840	90841	540944	689036	435086	269089	218007	288826	304525	245821	464319	1445508	498533	365450	597484	271454	821549	160882	436165	329191	616347	361626	224319	125384	335381
1-stearoylglycerol (1-monostearin)	246794	339683	99977	399705	354153	383179	292784	795638	429722	140497	163804	605802	356044	601830	134156	876751	297144	495099	210999	168858	394104	1497297	582427	144814	623706	865738	509768	783720	619503	946506	562160	620388	521982	831004	645348	573687	650462	347749	745944	510455	445446	575681	617255	929993	661402	647489	703056
1-stearoylglycerophosphocholine (18:0)	1460691		219652	2301056	1091461	1374682	1505982		3759890	75020	3077050	5571242	1791059	917360	529308	431713	877946	81268	947652	3636393	2090823	9905856	2431712	944688	699612	66961	5625486	90737	252656	131093	890032	38067	545667		4755647	469552	70755	273968	150444	184656	962233	7052153	296956	6974243	1029446	118683	1329986
1-stearoylglycerophosphoethanolamine	1736291	1497322	1131997	890674	995690	973244	899163	806048	3925767	645834	1092624	2023598	4074449	1625743	796410	5828191	728077	2850382	720217	1104651	901534	4691252	1034980	357631	896915	1054595	2255763	762741	1093867	1034065	597567	797041	880466	2338727	622486	523137	934870	797943	1767684	309339	592235	1438205	2116101	1382858	551368	703756	1318220
1-stearoylglycerophosphoglycerol	91206	112602	64198	37629	16582	100970	27093	54123	372769	71365	30834	45437	80234	468557	40579	305008	97905	310804	49700	28843	35654	1045783	58711	22539	31761	79980	47632	7641	72200	139198	39265	15230	103669	432756	28586	18845	95561	43059	523920		96070	151479	59669	123850	25380	68727	149013
1-stearoylglycerophosphoinositol	2806929	1660076	2195086	1548451	2504349	1729289	1700687	1871307	2673460	1631049	1813619	2499873	3043707	3485182	1184517	2357665	1479698	2437370	1119193	1397100	1563315	3826104	1374250	614905	2504735	1462886	1306025	1165810	1132080	1219705	871764	1276662	1139376	2877855	733284	1231224	1983741	1042672	2237184	518356	1087081	1263011	2055114	1064588	503486	537399	1595820
1-stearoylglycerophosphoserine*	596350	535409	541140	269064	412447	448202	356885	195107	1116780	265825	394180	570481	611755	273513	112468	520269	342053	589380	296620	424547	656796	630797	167891	144642	294779	145023	276560	203932	462410	146115	220978	267454	205229	363122	225294	229821	147526	268716	339329	66755	200609	252215	273164	248199	172291	164502	226199
1,2-propanediol	734169	7654352	279363	3685062	436011	671157	1460963	2528593	1871922	250615	2179864	1668895	1058482	542692	737870	371943	233367	577327	393644	1022441	557808	374817	424342	463301	540664	336621	253509	465097	230037	306588	221664	224529	201659	330431	398043	324036	246615	347933	300443	428692	358314	268696	297709	348993	327324	313474	204190
1,5-anhydroglucitol (1,5-AG)	343050	89277	788050	3005264	857103	1871833	4460710	544749	1180612	696155	2225210	2447360	1835308	502802		725160		382236	548561	744572	279316	617565	231157	2554008	645554	519285	102929	282834	478570	519285	159323	240639	214113	481515	399397	500831	283030	397253	439159	902000	517533	636139	289097	535998	817895	579242	370079
10-heptadecenoate (17:1n7)	618405	434571	341783	342117	421384	469368	388886	2181685	401113	547967	378653	933192	781321	2058856	782458	2784190	551148	3174030	481539	464866	381449	915517	1628765	328594	2174235	1837644	1780907	3235734	2180095	2779152	1923249	2895718	1606685	6521767	2071148	840447	3289878	3432058	6095056	2125053	1662683	1684764	1863100	2794094	1194836	2804633	2822225
10-nonadecenoate (19:1n9)	278205	163028	116472	155062	131777	165386	177768	1499613	150410	232460	125255	429730	244297	1121859	178277	1041025	149184	1453292	182698	165505	126592	744279	481261	104568	1157244	521428	589568	918154	711459	1144336	472652	959846	542018	2802493	532516	266404	2030533	1057513	1273209	576209	530930	580002	815685	976785	383615	785536	993090
13-HODE + 9-HODE	629361	297698	172898	360358	425728	219177	701016	1930878	195656	236555	247424	337434	498003	291365	283741	380649	132848	1099126	237856	294485	410692	326772	447735	81247	307565	738539	422033	1331094	1493080	1270905	1152894	930205	767604	1257533	651213	698803	1520708	1737503	2006702	479202	348557	1257971	841638	329134	475997	364050	896235
13-methylmyristic acid																66350	27838	523010		21666					75670			98087	98793	83783	58940	73161		185309	48686		86168	62819	60018		70651	74031				128097	69546
15-methylpalmitate (isobar with 2-methylpalmitate)	332422	277025	236276	226725	238541	565498	377915	1223362	225972	239595	308333	851867	488289	1864745	615103	1193208	366131	1872508	314129	436030	434253	1754630	758209	305599	1782045	1153914	1101695	1721723	983337	2195507	1041527	1228602	1068908	4126401	1271484	653295	2780143	1525154	929351	1155855	981658	927672	1127893	1481573	820910	1248404	1330101
2-aminoadipate	122021	120618	1904462	229571	430032	157710	156166	447295	1775790	193847	267605	151559	873941	424449	372564	369471	115470	1361136	150200	130474	148657	217169	246952	129984	395775	143403	242445	674568	1192318	1125613	2711441	929288	822816	447577	1257975	1944102	1144116	812305	495865	429750	3479627	677013	318462	1474000	629601	1508820	526989
2-aminobutyrate	8519736	8883035	6020671	11464049	6145137	5654697	5886791	91641496	9708573	8851488	6568595	11945853	27159156	41729388	8670794	28645530	6992245	20107898	5394304	5164789	10484977	1366700	55263804	4369581	212117376	4995164	10983975	54217436	40840704	11846354	46397968	50977688	12166215	11715273	17245246	17020146	22588286	24330574	44814564	5228463	16317225	15997366	24685032	18899576	39092700	36613332	55823520
2-arachidonoylglycerophosphocholine*	188299	41582	592202	1917750	1254908	4105145	1592926	28077	1990272	242890	1591601	2691926	1598411	3043735	479647	509049	1084425		918328	1988451	1458721	5578094	776660	1343096	1532930	180234	1936407	147565	259145	485026	420827	78700	866717		1698808	1086011		602616	69439	587721	1918866	1118565	508059	3653878	1548102	78863	1087597
2-arachidonoylglycerophosphoethanolamine*	499776	90512	134795	217979	205959	188448	156095	167952	75523	181374	133038	311597	271891	297412	32103	335123	40676	464937	340740	228864	147128	131278	221150	117062	205482	341071	523731	146214	118707	170085	148460	261860	167581	376099	102697	133525	236870	164651	321071	60672	209666	114978	554597	152421	175026	99419	232210
2-arachidonoylglycerophosphoinositol*					90308							166907	62127				45191				36483			33609	273845	392558	112588	115404	109936		141398	124753	122261			115404								95723		184073	
2-docosahexaenoylglycerophosphocholine*			174977	497506	389505	867625	505624	58749	380208	53771	221067	992181	525861	575201	134192	228853	276540	123839	381707	276540	441344	1028713	181874	519504	250608	76929	466627	73782	67711	319532	99745	65905	223780	82913	557754	290517	306655	128214	46397	159691	378366	306868	226447	1098134	426081	83696	157027
2-docosahexaenoylglycerophosphoethanolamine*	237761	52512	292082	788611	480360	1217009	486280	55909	680850	179309	378180	1173091	841455	961968	398234	357326	569505		699649	677220	1110431	1399912	512178	1259622	640247	102681	643677	141031	205611	197859	158375	55831	278732	78355	578478	419966	119880	299972	46999	164662	786688	627920	359571	1103660	599085	99098	348040
2-docosapentaenoylglycerophosphoethanolamine*			122364	182995	120745	731013	132105		268776		289863	590227	223860	255080	57657	137473	321820		133334	229571	60492	1111680		236417	164927	31887	408852	62126	110872	67396	50483		145161		294969			97453		148779	279900	205303	158552	488783	176619		154557
2-ethylhexanoate (isobar with 2-propylpentanoate)	65027	86122	118304	79910	123055	122623	128009	108254	178915	64607	113750	104131	136914	204688	280495	212870	302867	87446	110528	57652	115257	127374	129211	69378	166379	111214	159644	208342	178263	58000	75811	96951	179904	52815	135391	181647	43706	68800	55614	140654	179138	266566	156764	158695	147953	86837	101022
2-hydroxybutyrate (AHB)	1732830	3817879	3612979	2222549	864058	1681593	2551931	887292	3329078	1596369	1851757	1217911	1750374	1059595	678639	1151098	727961	947060	827409	1059580	586574	1478717	690068	1843757	3189587	921105	416467	1065081	1452539	647151	1236390	563116	425820	969482	904833	1165783	554931	849826	947863	632481	1638822	875841	643099	534983	827460	741779	996241
2-hydroxyglutarate	140531	93393	230762	113661	174623	144835	166749	114100	258284	61835	195029	218608	169435	157177	23954	135453	46769	229655	72372	222651	116901	42767	143908	47260	81856	231769	386248	157200	296247	352159	325605	212520	540746	391270	533997	368858	119449	220040	675889	168286	143206	262232	188692	395751	338957	127678	317249
2-hydroxypalmitate	126430	49767	69776	149098	134691	83419	49554	129662	220110	66499	103186	149440	143235	159714	92000	114936	44696	191211	96204	128073	123928	23576	227953	57408	174030	128290	173470	275222	131385	152778	173129	157215	146574	199251	207340	215349	383672	173669	273196	90106	138003	116708	220303	118452	81220	50226	88336
2-hydroxystearate	59132	27815	52453	37515	57615	81652	100228	69541	63659	51997	77342	69501	137556	54365	61332	50296	27886	83888	36925	69164	67242	45886	92098	32536	66598	26785	95991	158385	67481	185095	195561	111679	146550	102476	126492	80133	363624	131695	154662	60654	39742	74767	163211	69879	54814	17557	72857
2-linolenoylglycerophosphocholine(18:3n3)*				88544	73658	162483			89992	42751	116113	123541	77835	54259		79562	99341			105504	22821	60837	63335	36486	51257		186489	43970		66318	85911		119849		441379	118972		45109			145480	196437	53849	453455	219787	27601	84220
2-linoleoylglycerophosphocholine*	703077		1022888	2532455	1794979	4596689	1815885	36956	2445670	532270	2814809	3459518	1755778	6231026	1186230	1387664	2072997	100959	1431729	2825625	544296	6264526	1459977	1439899	2305090	218004	3236629	305168	434400	1169186	790724	112686	978031	104122	2465091	1715167	315732	1358137	84716	717788	3705237	2245691	1445853	6683252	2271484	154690	1828598
2-linoleoylglycerophosphoethanolamine*	354378	111736	137412	180736	165683	182168	113508	71127	74843	188354	129480	260936	309796	119819		279887	28152	244616	143724	110985		82303	168761	62568	130966	201994	531637	104753	49532	145158	129480	94151	120989	185565	46355	63838	129995	70564	143239	31498	91506	84813	336521	101573	111821	44560	171940
2-methylbutyrylcarnitine (C5)	387468	490049	157923	44849	64879	151909	123818	232524	254888	256555	243517	86025	85713	1040282	704570	375792	699130	810104	309742	203084	71777	72445	353116	118709	381972	1192292	299604	1432493	870783	596800	574896	670120	1153349	689242	391991	868953	401138	1201878	1052305	1149762	818964	602583	436345	892626	525257	631339	538468
2-methylmalonyl carnitine		16296	21638	13378			28706		50582		17608	24415	31915	32125	25634	44055		40238	18426	31788		43456	37573		54431	35240		35405	25278	36696	29657	35174	31661	13856	31197	19208		39224	44412	26402	19900	33686	50836	65157	37839	21050	30419
2-oleoylglycerol (2-monoolein)	2191	6838			22315	6037		40917		6089		18654		27827		65790		15071	13467	2488		74165	17206		49185	28624	21457	68393	23450		43457	38591	24616	24082			44891	22352	43576	29722	30147	19766	23549			33572	
2-oleoylglycerophosphocholine*			612555	1425682	1090447	2302222	903425		3013828	219079	1300897	1733195	1538541	1858714	696835	734111	1206758	21446	967673	1225400	779561	3436921	1090447	689754	1370028	205375	1818956	296992	412844	829588	800301		765593		4319335	1096430	365857	658406		537586	2981078	1715968	677469	4549397	1892826	173964	1193822
2-oleoylglycerophosphoethanolamine*	108936	37345	26291	48587	40742	36422	21836	29114	33490	32690	43628	49369	69918	41193	26098	138475		56189	37375	56408	13717	67611	67909	26350	31729	31414	64151	42155	16880	36184	46155	5765	27768	68335	47178	40290	92745	39439	66140	15186	13043	61393	87240	26556	62487	23403	72337
2-palmitoleoylglycerophosphocholine*				68990	79234	312165	86685		308566		41414	167450	88792	139928	128748	63236	194672		53358		159762	330139	71572	54535	119529		224267		47089	106344	101784		124365		718200	166431	24946	144911		84987	249522	245730	70468	1272130	298242		133130
2-palmitoylglycerol (2-monopalmitin)	234724	286099		157421	272090		175877	493620	267363	226520	102390	290263	205575	524325	47459	451771		457492	176805		193077	627250	530452		557828	903300	572563	807149	370782	549699	455353	711192	465158	945657	380262	301409	634532	548486	932316	413536		403092	423766	451771	379602	680515	456276
2-palmitoylglycerophosphocholine*	115307		153570	343141	242069	643244	166339		786898	79695	297668	379058	300332	690334	162067	144764	285911		354827	397128	533816	1886320	130473	314325	263597	58543	260114	66216	84035	186547	78807	33676	144299	51031	429349	227192		104879		152085	378011	272225	138422	748903	285564	21397	203277
2-palmitoylglycerophosphoethanolamine*	84159	69784	37476	30943	43568	10914		51586	190413	46371		89161	151583	93945	19434	229804	24126	136974		34886	69097	283914	56188	12948	33601	63470	113661	43865	39388	84913	46354	35360	53617	179514	37921	30666	122711	54192	97993	16833	53487	69078	104669	66421	22403	45132	71588
2-phosphoglycerate		13646				16647	11235	52394	34914			9810	4742	15744	7804	23356	121407				24722	22323	75722	3997	34114	54558	15310	77585	77702	33603	181599	46351	44611	35395	78411	103217	71145	28117	58601	48436	99050	33526	54122	65907	45481	50784	66560
2-stearoylglycerophosphoethanolamine*	37900	35629	44989	70644	58711	165341	78569		883291	36009	88847	103428	125151	116584	21656		60642	25239	88970	130101	96304	951901	45664	49923	47951	53690	268530		70157	36549	37677		57187		124894	52703		69658	21099	66942	72000	241256	32621	268340	54342		38196
2-stearoylglycerophosphoinositol*	101894	63017	78485	86444	140243	80811	56139	90861	118453	66744	67392	118268	119022	102010	61895	140983	49075	76116	39410	51006	62598	131383	55609	21712	79142	39783	68243	44474	49555	39128	31773	42935	40349	106442	30804	37457	63720	38752	77900		25404	35469	94807	45811		28441	67376
2'-deoxyadenosine 3'-monophosphate	22207	15349				26534		24350				29616						57121							21732	60079		29295		68302	18836	39546	19602	66482	19813		84885	39891	17312	17840			21574	33622	17386	32693	37140
2'-deoxyguanosine								5669		4109				6370	4937	4703	5662	5199		2889		3644	5686		8904	12075	6267	9952	5786	15044	4850	9139	6487	19372	6163		17428	8974	8198	5369	5652	3840	8907	15359	8815	8105	6267
2'-deoxyinosine	7744			2794	3071	5511	6751	11576	2581	5297	4150	3873	3423	6830	10425	6201	17054	13036	6002	5579	5493	4467	12523		14164	13031	9385	11017	12430	19514	8459	15666	10879	16326	7060	11431	16729	8922	11731	5659	6468	8168	12922	15255	10870	13645	10570
3-(4-hydroxyphenyl)lactate	7870	11924	41045	29438	19513	23231	21904	38199	35224	28396	11812	10735	108188	9693	40375	55690	13676	39447		15098	9805	4169	76476	12433	41652	27355	7516	54114	54481	10744	173440	48878	17751	11350	74744	89011	27386	31522	37553	18536	32201	6020	42268	47609	27610	20158	41905
3-(cystein-S-yl)acetaminophen*	1128745		110489	25015		923841		111413	1536671		787831			2962038	281858	534201	30941	35129				2602090	102409		2451879		39476	68854	736191		723901	693974	37858		261147	248434	90708		215989			408392	255020	148756		254562	
3-(N-acetyl-L-cystein-S-yl) acetaminophen*	24481		3605			5759			81714		8595			44356	9151	4641						27685	3189		52672			2920	13317		10899	17036				4449	2028		22729			7404	11440			3892	
3-aminoisobutyrate	2809575	2896199	1482646	1792645	1257460	933117	699435	1189728	2626918	1804830	686842	1043409	1193723	2010683	2247018	836211	709721	1072577	1135509	1150402	1306641	1712349	662540	885410	958403	1464328	495707	1308518	607104	644533	839475	726398	699145	361174	759471	434092	363765	2015458	1574511	999434	2089061	1567761	1178582	426784	1459708	652766	792376
3-dehydrocarnitine*	947658	1036048	483092	48316	239055	342233	248661	549439	24505	445886	145589	195922	909078	488722	140798	217534	170922	188475	873938	314306	214384	268440	174137	373850	832567	227412	146347	557276	335069	245995	240738	108652	576205	186876	250248	167619	102570	94091	396351	185908	232657	246820	144292	140593	233798	224826	336069
3-hydroxybutyrate (BHBA)	1702248	1023526	2799805	1133881	1181842	2030490	1417196	8896323	5736574	1023075	1533132	1753778	1738188	3135583	1337974	651878	578010	1756940	918153	1040243	956000	911562	968239	1902371	1067720	1878962	875605	2716695	664986	1279489	1159568	632983	661449	1119381	655066	1057620	984177	1368581	1174068	1533362	1975456	757463	1255722	1105926	698122	1057108	1033611
3-methoxytyramine sulfate	2744	13850	5828	19051	5228					1423				13765	53358	3790						66760		2930		20437		25817		34285	16265		61472	47506	20483	15405	65738		11369	19004	36582	30187		86139	15514	62442	43790
3-methyl-2-oxobutyrate	11722	14398	9028			17364	9193	5531	15334	9268	16522	9163	10569	21540		15164	16264	11680	11965	11581	16229	17026	14393	12391	18810	11212	17009		22078	8819	10231	12032	10483	15209	12871	14928	17617	13237	16429		21703	19836	18447	23366	29887	14660	13396
3-methyl-2-oxovalerate	32931	46258	25693	25615	18740	32148	19867	25063	22531	19893	29773	19887	20562	60230	20837	37773	40758	42919	22072	32228	18773	33337	27009	19073	62946	35665	36137	28020	48149	47711	23497	26989	37418	56927	22622	40690	25301	51250	43295	23122	39724	44935	35016	62037	45161	35501	34120
3-methylglutarylcarnitine (C6)	56777	45386	106077	36210	52985	75264	196873	105259	253575	41585	144976	171246	139197	262780	137757	106112	124045	90107	36073	125238	26880	202765	837248	81725	235525	116848	218884	392019	202623	558481	209594	253466	215042	101194	165791	156171	168590	185950	345742	274898	258854	173539	229709	192267	159747	163136	313411
3-phosphoglycerate	236896	604090	120300	358619	366029	689990	628318	1801477	1525653	60434	259433	614173	411084	811807	775204	1149512	5049576	116603	316938	148969	1054267	1087083	5786565	281852	1897825	2662410	729293	2704421	2956927	2653313	7387377	1854094	2314350	1764899	4397525	5225327	4757924	1890672	3250247	2751250	3931633	1911019	2804055	3861340	2196994	2102332	2308842
3'-dephosphocoenzyme A	15631	16841	16914	5179		5405	75582	244600		46684	36029	67048	8074	245888	78654	113425	131775	328194	27816	93488		232932	200726		226207	1004017	437434	352599	33397	902933	431040	221360	237778	872476	403734	123222	292475	683101	223595	245281	537527	306667	331348	436169	267996	185666	922488
4-acetaminophen sulfate	42772		12937	3377		104935		2115	337618		32737			42408	16706	18525						110813			96915			9699	24936		46634	20343				1654	2080		19332			20996	19332	2421		17623	
4-guanidinobutanoate	18751	73272		15869	27802	15978	35000		66800	37700	16367	33394	34765		47329	16986	22467	23960		25658	15339	17800		34496		26256	27305		33069			24419	8865	105870	25272	19986	20824	20695	160467	27632	28460			36841	8915	23535	24674
4-hydroxybutyrate (GHB)	82737	99814	88209	94058	76815	131223	111380	185272	45047	85883	120532	192911	216749	115893	17313	52609	22006	157180	131071	125221	82629	10436	21133	148398	69431	63935	105940	92308	40695	59145	102576	71397	49374	61936	82366	104093	103376	93415	96429	59836	52823	44319	91464	98688	64875	65092	82430
4-hydroxyhippurate		10185	4086	4787					44934			5694				3513	32580					44136				155744		4336	45431	10232	3728	6011			6011		6011				4003	55346	7249	7876		3832	3142
4-hydroxyphenylpyruvate	66129	122735	73939	34022	35855	78737	24358	22023	13703	28061	20675	24915	35189	34167	16986	31163	18729	54720	33431	35045	18864	18224	17043	27660	79712	14326	107199	76378	33137	26465	17502	35754	19272	39451	30326	24605	27836	72042	36381	36073	50320	37596	79417	91414	47533	147124	102900
4-methyl-2-oxopentanoate	115215	122764	101197	111183	57742	131627	72630	57744	80798	84675	107461	63891	85631	114602	48862	76329	94601	78651	102539	79389	80919	76478	56817	108058	139581	70881	81269	85413	95064	116307	59122	58226	96156	140358	66964	68012	53438	91529	101815	50426	83870	110654	92716	154791	116023	104324	114240
5-aminovalerate	654992	739630	739206	509873	797885	333613	811540	664119	1814282	486275	650921	893444	947023	449100	568752	779991	769209	643973	618453	569717	288853	669212	338905	393843	374229	1146898	360226	809632	816008	558841	479643	473476	477842	688702	401927	478332	424644	434552	568714	178530	398445	491000	460001	807046	556522	563969	563586
5-methyltetrahydrofolate (5MeTHF)	16939	5255	20388	20439			10119	73772	4747	8478	23788	16042	4234	109362	41647	30045	43822	61090		8282		66487	54173		49417	73280	30991	77419	19839	92307	49821	49259	57521	71048	58645	49540	79482	58921	55794	46194	35575	63700	70442	36832	64249	63607	87904
5-oxoproline	226161	360967	420200	466075	392776	436076	252468	795717	365224	282676	265676	394703	534853	937060	577033	512392	203860	415628	176586	281413	284748	269640	990822	341749	1378230	319437	809015	854853	1217136	404561	792455	920778	321123	267804	1172557	1320765	1158174	592932	609271	510120	1069617	775277	835869	471429	1036268	469157	573841
5,15-DiHETE		7706				9957	5148	34892	6003			9170	11199	5221	6815	9180		10205			41290	13291	9152			13965	4416	8784	8280	10573		12429	4461	6471	15076	9175	10279	6137	29601	4437	11322	19141	7734	11093	3720	9155	18561
6-phosphogluconate	21561	10960	28320	10656	28913	14414	31856	32386	8784	10992	11389	22823	30025	31709	38066	46477	41084	23731	16388	32519	10469	33720	13659	6949	25377	30309	44128	21683	53505	38214	30811	27263	25677	21625	32628	27677	26376	27856	20205	27076	17939	68448	19189	25812	16383	19086	26511
6'-sialyllactose				100247	74936	151383		286702	240009			115819	100382	191060		181835		8420			87645	215094	265936	50494	172738	258072	299434	424631	138574	293086	326305	264888	282157	244514	343163	380904	218087	162597	233603	263915	412147	279869	222575	225576	228981	276213	310192
7-alpha-hydroxycholesterol	19926			14461	6382	11571	20666	18060	6806			11902	26882		19137	11684		26387		10757	120118	11892	12736	11942			7521	52746	48974	20775	35919	23628	27532		23057	9814	24425	15303	26798	17042		24838	24820	18014			20214
7-beta-hydroxycholesterol	52951	28114		44461	22716	38457	36136	53591	16109	11030		20321	47028	16957		23956	14195	43737	27794		201476	25676	20386	22644	23521	23088	28349	105967	93046	60276	61693	37889	58348	45641	38725	27868	70342	44563	41673	13874		34376	54637		36129	19170	43734
Ac-Ser-Asp-Lys-Pro-OH	126055	105213	31480	46567	95550	99070	87444	29220	67717	100445	109568	147531	88101	150498	17081	31917	42838	93691	74657	75429	65017	58711	42261	43250	24770	51227	54453	20682	36398	31846	22857	78817	15960	47461	16479	23997	22442	41929	40980	24374	43827	40737	21533	35943	48137	33534	39749
acetylcarnitine	1493646	2019835	1348882	1364010	581712	1256942	1823955	210802	2061847	798605	1541802	847963	2051256	293703	879516	503484	215124	542629	1297730	920779	1227575	194111	2297813	1918439	424072	380699	173019	9937745	755698	296933	3021275	1123162	1347245	514280	492696	1380942	1254782	325848	1212648	3125242	263952	315313	173257	512063	790197	830159	164999
acisoga	24639	56754	61121	39271	29622	80357	87108		490153	39046		29441	38821			44734			24709	29855	74465	112553			38045	37059	24253	29862	26129	53460		69486	30540									47273					
adenine	97574	39888	47444	53359	88923	77406	83319	70686	37337	64074		67269	67666	98875	39917	46839	33757	85729	69074	65288	37979	69278	15727	37076	79863	91949	65885	127298	64719	151220	77906	79809	62101	59569	53561	23070		83681	107848	45779	75286	72095	111374	65424	108542	86601	84467
adenosine	48674	39282	79150	111347	117493	119486	88745	185904	49060	65277	55534	121025	64585	171834	86628	147127	90032	49363	41427	53141	107241	175275	282063	59966	133742	237643	278032	151242	117078	218864	288382	186036	181417	219564	232919	205683	170369	176221	164626	99794	254563	243378	228374	201434	132491	195043	291760
adenosine 2'-monophosphate (2'-AMP)	53932	19569	73146	68188	46692	7792	109396	49863	40917	52989	57838	123386	60424	22270	36120	43049	32193	112777	59276	60834	73249	26089	155840	15888	81061	93580	83792	108641	96322	198915	184305	172316	93353	82545	154216	48948	68599	166864	160256	153117	47816	46685	80959	236725	176336	120530	113977
adenosine 3'-monophosphate (3'-AMP)	26119	41596	75065	44091	21814	87429	83374	116899	102098	45420	64087	54602	58949	118688	17725	133033	76422	37090	22386	76992	60463	197056	40754	31776	109153	74536	80420	59760	96309	111425	50603	37499	33391	60598	92797	74228	22956	44493	68404	26393	47923	250973	102464	78859	73227	30384	174115
adenosine 5'-monophosphate (AMP)	39618	51599	67976	88813	66324	103282	80974	206830	116820	55749	77948	117975	79029	206621	58964	101595	89577	270464	33300	65525	35853	126263	1321701	25114	122129	262037	130417	342657	95454	319827	436771	134608	182078	208221	203105	159700	311508	166835	184011	73635	206242	222520	194822	99323	122107	233371	356392
adenylosuccinate														3052				3803					61099			83542	49072	63137		110416	122356	9121	171339	72782	102407	11026	33561	63281	30676	13129	132537	154731		79489	97865	50750	42718
adipate	246282	109569	104264	100223	38987	647232		143980	136933	102286		108305	75114	379249	74034	89502	89994	135801	120343	123831	76124		85676	137217	223003	98991	95718	123599	239485	69896	89014	137460	112156	119963	157748	86715	92173	80604	166745	98144	143879	49748	113445	84009	97755	67207	123228
adrenate (22:4n6)	3724749	2443066	1604355	2097436	2428110	2637268	1725350	2622588	3879703	1848660	1756752	2736652	2388978	4541754	1220720	3768086	1348584	2646332	1819204	1498294	1631684	5236529	3884848	1220308	2543271	2681307	1890237	1548895	1631272	3399234	1486967	2421973	1363880	4238356	1981700	1956412	4229806	1828234	3332245	1899686	2113406	1997670	1466973	2235120	1671674	1816007	3016945
alanine	279346464	228651952	242581392	288235168	312068416	273833568	329095488	269613472	180875024	209669840	267733696	378972608	315061984	232725520	203055712	308791520	275172672	329456896	224673872	219932016	172610768	234522160	218392016	202114128	330863712	360481216	261220144	276022880	302480256	362101536	337885216	247704560	247040944	353293856	316163456	333136544	266255936	320491008	274134304	194753472	313542880	282230464	275825952	339884320	277714528	318205024	238205296
alanylglycine	25848	30377	30748	26171	34215	22402	39774	23983	13244	20199	23299	31514	30090	21628	52426	20558	80420	45516	46815	27591	25597	24383	26273	22996	29705	40461	15627	35197	28140	35117	33453	33121	30360	46695	19466	16390	8586	34138	26962	18542	29658	26414	24197	38587	19603	11663	23662
alanylleucine	55741	51567	72917	92718	73219		61918		19083	116438	60611	51580	95912		9969	28894		56308	94616	63608	50228	16600	24403	37432	15664	34740		54652		50228	77887	32215	22189	36719	34146	7916	36389	64761	65816	15353	21065		27970	33758	67328		68145
alpha-hydroxyisovalerate		119075	227666	335378	48487	148562	175289	107421	314098		81345	49327	144409	63174		114438		109600	105242		48297			96485	274401	190877		29159	129172			55427		98569	208206	89819			313288		66997	67769		199041	64449	39156	
alpha-tocopherol	1135885	762462	269381	852299	627550	238103	302953	167262	435559	512498	538046	445539	213801	283339	863853	262473	416100	232330	417125	310446	59534	664359	174580	218197	103939	591217	225453	155988	105565	315033	190360	139818	170710	107015	230716	192366	110748	169732	104295	79048	184133	247602	223002	231225	188555	392348	459031
amitriptyline	8832377	12153006	13893640	15712938	14052098	21765804	12470376	4279646	16347056	10598749	15652103	16299490	17059216	14696175	14259497	7910556	17723098	7630209	13139083	14387135	22294478	18642152	10404884	22793040	11592657	5530354	15238668	6733209	8615325	9508484	10130045	6561986	11288449	6231360	16254226	10714841	5605385	9008308	5761336	12388122	14029639	13340381	8535225	20057172	13168755	5422845	8870013
andro steroid monosulfate 1*	35239	277207	12293	40289	28973				40791	38317	6682	3981				60711	10110	263320	70533		329991		10310	40836			5327	9101	18558		6241	7548	6464						9020								116514
arabitol	106584	88642	132961	125015	108278	148531	199154	65026	390391	36417	143868	232867	169792	122073	54373	80346	39217	78790	57700	141898	95254	63162	117325	73146	66686	128559	132221	369458	62859	125315	89810	57020	281353	110222	85173	66464	115035	62942	124028	85557	184457	105931	55684	63997	52210	96887	80905
arabonate	63075	144128	148187	129321	87699	194041	105631	49021	195026	64766	82770	152113	126366	42131	44268	45781	25175	55504	84155	61507	65525	32776	64664	63748	74665	98532	59311	63059		80448	59463	21502	75121	95052	49553	32283	61977	46691	123373	151804	79768	74716	64715	44245	99638	55388	53899
arachidonate (20:4n6)	20588220	29152298	12637898	27849516	29704374	25383736	17104098	16613381	36086576	15213168	17804698	34173624	25893448	23062452	9751577	26990286	12316597	19768574	14365947	14382793	18832224	35578592	11668561	11759737	13810333	17324060	11713486	9125687	12549750	13276977	7056152	13977374	8429536	18608946	9699693	8917499	14347944	8033070	13471667	8480448	14117882	13950841	9329209	10787429	6606330	8903952	11905598
arginine	554640	480877	781546	954003	1378656	667850	778409	1214889	356917	734831	611270	1306396	1353404	1365111	642133	3865831	1406765	5690006	668793	1977640	498956	372058	1949791	410919	1465736	2058503	1369224	3783064	944554	2183571	711392	763875	466865	5242898	1384809	772866	1164948	1115515	1072294	863930	663810	524985	1800458	2427689	873249	991540	716200
ascorbate (Vitamin C)	7578549	2815094	1272626	8188047	4031269	4616946	4349212	11787335	5724641	3642082	7870062	13293083	6011581	19471426	7188529	9366997	4037337	19538418	2509286	8517950	1529246	6108203	20270548	395761	24286502	37204568	21679392	28524614	18425098	21639546	18411860	29095990	21192596	11705545	32834322	39770776	11705270	20257898	29358100	12233514	30011798	32326502	27272058	23532020	20834890	35806352	22456192
asparagine	6622760	2862249	8169511	5766117	8698061	4136450	9465174	8804295	3083167	5848543	7810608	6956634	4121039	4194680	9224295	12019416	10731909	8531142	6541189	7410762	3561693	9248040	6704641	2348698	1684514	8779566	5217723	9842511	9104953	6286933	6565189	5403955	5695321	9316938	6303491	6765792	6261455	3608750	5839179	1190820	4948902	5165807	6762211	13925925	7842735	7405727	7737911
asparagylleucine	32406		13425	26549	29992		17032			48968		38322	17870				19875	65257	16115	14646			24414		20617	93604		50136		97818	183437	64989	55057	104293	42813	19218	59295	120070	77916	26042	17582		19930	71078	59354	26520	36897
aspartate	17549674	15892661	16535338	22504996	29467696	29969188	33963656	50749556	21984400	21029074	22485360	42193248	26726008	69159296	57286132	75371856	69934504	25200616	25737974	16225080	13717559	51328472	19532490	13608131	47293184	49594564	36692980	34678536	57888704	42397000	33820536	29400382	38505892	27934376	46347892	68237000	36604900	50467524	34766624	27294296	100461056	61321344	37834868	82606088	71067280	81713448	28316392
aspartylleucine	1160163	696200	446527	967838	1298378	156099	897469	205957	250566	1301041	555565	1963679	1232503	21186	25672	267328	113430	1308928	1681952	460188	926119	48543	135027	315721	454339	712557	131708	735493	273321	746467	1196194	1066754	1279058	917928	497915	157891	338071	1010128	749787	118007	119643	82381	244650	394067	399752	452322	369610
aspartylphenylalanine	120673	32121	24637	56213	93033		74906	49432		102237	27818	214925	49629			50147		334558	120032	51105	179246		18435		78420	178370	22864	133861	39034	136377	348167	244875	371622	170052	95067	26725	96810	203721	134380	20705	15929	20811	63806	57181	67442	99691	40994
aspartylvaline	130557	64277	48990	80332	86413	10345	49507	51696	44975	142723	46345	149715	87784		32859	81083		240336	155278	69319	180035	20697	25557	31113	80372	120535	47311	55683	50247	98936	160509	211160	175922	142703	102798	40104	61704	181022	120915	44710			51769	45922	51040	59566	66745
azelate (nonanedioate)	20004	14334	16164	23388	8002	12272	24907	24047	16012	11787	14026	7591	15673	10654	11139	11450	8815	42269	14358	18907	32504	12603	14837	8643	11342	7508	13450	24128	28578	25353	46097	20681	25274	24999	19264	29165	26932	35410	32491	15179	8653	15689	23351	14581	12422	7784	15670
benzoate	205986	244489	172137	269194	183885	358751	188440	226671	316050	168461	157318	166910	168321	359771	319270	198439	415486	256499	169813	170292	178974	222326	298355	188332	226063	355757	187260	244371	375365	359885	193991	424789	1655267	822245	777966	1047026	333178	2528592	217295	865660	286890	1477959	1761605	2983354	1243125	1203525	1719362
beta-alanine	11666200	9566110	7099887	8025388	8259163	9045862	7802574	4046137	6110970	7742909	5537126	9930876	6440005	5133173	1854646	4077330	2760285	8762313	9250525	4064012	9618837	4228338	2106464	4597725	5495537	3956683	1196839	1957294	4233920	1398314	2389091	2978253	1882213	1360173	1555150	1909835	1475409	3938809	3844212	1015665	4603730	3012644	1999331	2068895	1276287	1917126	3338190
betaine	4586780	4716569	1843387	2640905	3284807	2247299	2077198	4957056	2114192	2495511	1830550	2217011	1847797	2332421	152328	620751	504913	679544	1994955	2339168	2710157	1092071	1413937	2126817	2493895	1457863	570969	433396	1782265	593015	571154	1052049	577530	1826191	765755	4251767	644149	1010395	866493	461815	1183467	1447214	706283	268806	2171197	885612	587445
bilirubin (Z,Z)		7791						2786						5042	10903	14059	4613	4635				5266	9088		5073	6096	7273	6224						35055	6224	6373			4764	8529	5739	3274		44896		4987	24401
biliverdin	4949	8898	6065	6453	3745	4684	7815	2377	10410	6173	5092	8533	5911	4722	6074	7478	4496		8597	4336		6926	4436		5016	3550	5133	6261	2991		3813			9810	4596			4543	4802	5044	4986	3817		11452		2324	5044
biopterin					16459	16658	24905	18680	24805			23929	17354		19215							19499		21780	13222	49329	31365	26178	19355		24036	17558	37311	33946	23552		28270		24401		11942	20022	31036		20009	17520	31100
butyrylcarnitine	128393	58865	65403	28374	24202	64218			391150		47468	70234	77556		10580		33326	85773	72251	17548	131702		67813	234029		62119	41156	732865	269068	13188	1266033	121768	1419556	104474	152141	258649	83546	16696	373459	145771	11761	118821	35398		31595	69830	25669
C-glycosyltryptophan*	207005	223847	220142	147289	129301	165853	179438	261634	477654	187837	158952	181238	139679	342708	125385	218874	164903	188878	183367	172386	108623	320068	232201	105613	237018	204371	209061	276352	318364	324815	189966	319737	178332	227688	179952	243801	160910	223991	206427	187202	219645	244771	188370	197452	278434	260530	279076
caprate (10:0)	62181	81814	45111	65931	49722	63919	47198	73478	69797	54812	102616	36392	32149	85724	59847	57759	59771	55410	61458	50910	49131	67596	70597	43148	58340	89602	44736	41935	45048	51905	56420	38343	70304	44386	57007	61771	41451	49268	63076	29280	70363	66435	44753	55840	52607	56427	71850
caproate (6:0)	12856	9781	21748	14421		20486	26520	16823	14258	10304	21726	8472	24234	14925	19812	12447	21490	28626	5698	10961	54826		13530	16274	11140	14936	5502	19500	27621	10692	17740	11561	34327	18373	18490	25309	16274	17969	17264	14388	17960	17945	19049	13623	12582	11561	15997
caprylate (8:0)	15981	19696	20624	22377	12206	30122	16523	20463	19194	31230	68121	15505	11696	36533	19589	37022	31153	15404	20167	22896	18490	26732	23058	23577	12810	24397		17379	17818	62685	40063	21423	145003	23542	20296	27196	32812	19080	32374	19790	26159	200471	28202	26934	22547	32962	43834
carnitine	7342016	6583002	7020853	7741708	6231244	3139766	5378319	6015668	3751776	7815066	6207488	7071076	9616707	9684940	8188641	7567390	4425527	6948114	7728904	6705344	4661217	3854280	9474561	6783895	9532502	7258841	9519627	19520646	8442004	6182574	13167683	9657200	14093783	7357742	10719118	8070027	7308494	8767189	8669932	10286489	13084311	12819898	12145575	6752994	8729630	8133736	8679374
catechol sulfate			48884		3922	6657	6504		47814		14827	5561													4310		4698						3431				2449		2811	1845			3651				3773
chenodeoxycholate	24272	27092	8342	27021	24475	18301	82397	3954	7652	61885	35295	82269	47778	6584		17174	4826		24595	125677	6161	8833		28679	8731	10436	5677										7526	17174			8868	5004					
cholate	92372	37854	5140	72249	91567		78646		8722	81246	29990	82683	69441		9321	8677	4452	6853	63667	165501	5550	24797	6054	23048	20265			3495	3376	5388	4850	4045		8780	5821	5315	4378	13518	7874		8574			6803	5718		
cholesterol	29010758	20712954	14503276	24285542	24076120	25464766	24607378	24035102	24755314	19598970	19373476	28504354	20453762	33327328	18323686	28852464	20263024	22586802	24537280	15702981	20803744	53253840	22795730	15873940	23573940	30756410	20655842	28247228	22179294	28431392	19638724	23779450	18846648	32223364	26753204	27852416	17429806	21364034	21945426	13719589	31896666	25606892	23238244	28004072	25808264	24887438	35460012
choline	4140968	5751672	3355536	3215711	3540160	7302373	4003049	4235552	6860487	4235951	4854947	4918006	3685426	8804961	4504255	5273721	3357113	6042099	3772621	3513459	4525353	9556344	6754461	2706388	5134561	5735540	4894582	5401258	4902920	6277663	3390353	2970470	3819349	7024974	4690044	6918199	4523640	5994733	4277805	3886773	8471184	8181848	3758690	5116916	4528036	4756179	5216202
choline phosphate	2849187	1431244	1173595	1055753	1204945	556420	901755	709727	1190502	1156192	1481503	1248579	1076519	1296453	546453	1808486	618246	1100904	1967406	1031367	714186	775581	1770864	551088	459645	735484	692967	2116310	2716049	642611	653090	1297240	660224	1126652	1019126	2625040	589725	2463837	678551	364261	619084	1184233	864018	592165	3029971	1055316	1157573
cis-vaccenate (18:1n7)	4116533	1733664	1141235	1232641	1123332	3196620	6660359	8900489	2274358	2097255	1402931	4252731	4206938	7718332	3145246	9178719	3034596	10141257	2714671	1400988	1239763	3711035	3004319	1469689	5537587	3969412	2727902	7080371	7956628	7426763	4302578	5855456	2946110	7960336	4281952	2653043	6694247	7167630	4899204	2750030	5841007	4191546	5982346	6585612	3091099	6486793	13134281
citrate	29418	24330	20856	51363	44427	33420	39565	37955	36044			35434	22503	31527	14052	60536	71656	24367	19058	112902		40842	31021	28085	36345	35551	61161	155343	28727	58679	44613	34234	40213	39741	33389	31349	46214	41596	56685	160760	52074	60567	27210	22218	49564	32368	41228
citrulline	70046	98325	74101	93199	47319	179501	241157	43715	106005	66719	158557	170727	199269	175510	354741	85429	168978	279325	54979	200135	52649	94157	26840	71391	53194	132380	145043	131657	38415	179785	157872	64641	295203	134246	97367	294845	58402	121948	67806	88343	423544	241916	18953	54012	70909	48862	83366
coenzyme A							3612	18270		1645		3216		19119	5624	8920	7233	2347		4754		26695	14365		21343	36757	20002	15516		32139	18379	7738	13664	33348	29085	14248	21316	27534	17422	20529	72169	26183	23069	12216	15503	12537	62912
creatine	17528310	8015330	12824829	9367416	10155979	6732571	13077205	10388304	16360298	17243862	8386721	11682876	19016928	13350609	6899087	14547227	4854022	11939381	9223796	12038099	7776382	7475710	7883733	10019758	8505790	14527360	12351803	17159368	15300478	13975408	15040468	18943462	12974390	15323160	11774745	14362081	7583367	18080814	21988718	13284289	17038050	14360537	13644339	13003651	18253364	10791053	13106466
creatinine	167471	180101	263315	203823	105235	180691	225292	62443	623583	164808	183652	305549	176517	69790	336313	255340		133142	119632	156049	156049	88553	74533	142937	155267	275473	128062	280439	222154	78421	113324	141808	99347	168161		118379	105656	182557	251454	133948	208094	137101	72287	155390	174656	113234	190970
cysteine	7345106	8640408	18124984	12534020	21576472	3926233	31239334	33198878	3169709	24988732	17868126	31911660	18427078	18533726	24341576	36636904	10571242	39974864	12091711	22057728	4773448	16472841	13505015	2659827	29565364	49230348	33042612	24361554	56144636	28651368	79601040	101936672	13346781	18950782	69979504	85633704	34455228	52462084	60166580	31977244	69553136	20994468	38505724	26956962	72020648	31246772	32442900
cysteine-glutathione disulfide	62266	38380		152201		27052	19351	22775	20458	30389	39635		20822	30787	23928	36206	29917	56466	105648	3284776	30995	31475	16890	58666	22679	22767			33339	378450	253168	17809	514949	21330	12998	30456	7905	52530	33514	260721	11483	29042	42535	9928	12995	25761	75965
cystine	268048	675441		8609797	6264126	6226246		3698197	5240020			5654673	5866358	4446344		4011558	984246	3629607			1742897	6928197	1338394	7048729	2290246	2931538	2524263	6013794	6263520	3167498	4064394	6720959	2910687	5014278	7204964	12366564	2081993	2807342	4463069		9320341	2677452	5595071	1993915	5791982	3082592	2305150
cytidine 5'-diphosphocholine	171424	75920	156628	106228	46976	36411	203461	202911	314946	81419	146441	155835	97450	158512	101875	418293	224659	182087	102237	270064	82912	121335	598895	66506	649969	411553	434376	590834	320269	320286	220611	477475	613355	407773	513954	363048	66114	541500	399931	269541	476510	563950	194247	287739	363410	568270	499724
cytidine-3'-monophosphate (3'-CMP)	194957	108094	100950	100518	107566	24553	131481	72239	58085	150951	76380	115505	46521	24775	15401	92386		123984	211854	84962	129951	50590	96433	55619	88338	171963	60872	130516	75576	143063	100855	114811	80803	130396	47575	23420	69215	104430	103702	21897	27739	85419	81625	138664	73675	149809	169334
dehydroisoandrosterone sulfate (DHEA-S)		104812		11783	5430		10073					23114				18490		7214			16779	6665				23557	4538		6318	4703	4339	4505		22037		10529	4678			7165	9955	3935		5091		4451	8061
deoxycarnitine	449117	1429283	505013	313394	529707	141927	245334	667357	1282934	504875	167646	241380	222880	441589	1367703	787979	80655	559106	440058	505394	458916	250432	611440	607789	562040	290261	198244	673558	611956	162046	273152	408078	392700	240730	264258	274503	360534	255396	224955	306076	297578	218750	253459	269175	258565	230393	258632
dexamethasone															171581		799945									873349			829755			809200	1023173	1029928	1044785	1563611	683484	1013146	808433	675841	342872	892282	895907	1492197	894095	1167983	1074354
dihomo-linoleate (20:2n6)	3024190	3014034	1296794	2736727	2818328	1324573	1290656	4038249	3596886	2211356	1980552	2296717	1788374	4504763	1410752	5807346	1303253	4942796	1672431	1197465	1136929	3812578	7157944	729855	2932747	5663044	3218649	3939789	3344233	4667900	2374529	4021083	2751098	8603416	3454384	2015605	7533315	3708871	11555127	1872117	2566980	2988237	2968700	3808271	2088948	3047086	8021119
dihomo-linolenate (20:3n3 or n6)	5516645	11934921	2626183	9061313	7082135	4715258	4539471	3802793	18483276	4108512	6926587	9403072	6493559	4992128	1892147	7762571	3592549	5425757	3240778	2720540	4120845	11831705	6120448	2086750	2859325	5798346	4983536	4089231	4021407	5364169	3665633	5567498	2504136	8926884	6012653	3873328	5896945	4706666	16592487	3020332	4270996	6148704	4243239	5211155	3578663	3525599	9619995
dihydrobiopterin	25436	13056			16920	9486	18020		33652	14154	16447	17914		41531	16308			17805		15683		33537	29150		33946	46200	39050		11725	52458	47096	25081	28684	20292	43922	28905	38869	33066	19664	32752	52457	39876	35844	34355	51127	45029	19991
dimethylarginine (SDMA + ADMA)	385085	614713	580549	791624	1016951	1055693	939227	1434876	533754	695147	686468	815467	425016	1641467	1499279	1852263	1987132	814808	1142523	626239	923901	1208807	1203621	520673	1420105	1476812	1038746	1136439	1720818	921033	694561	803868	663355	1168234	1004074	1183002	821305	849295	896176	682087	1665829	1321554	1158225	1696762	1021836	855661	1165453
dimethylglycine	4750364	3438540	1495108	3593086	1257834	644007	1240214	392557	1286306	1492874	1623936	4215662	1036615					1633511	1513834	1287622	1286552		392996	2591719	2068506		667641	200516		358385	671352	480976		807002	1034016	2090116	227419	1688149	604115	412217	1256518	4220834			1041742		
docosadienoate (22:2n6)	223492	134236	66356	135667	163329	78039	80828	161111	162709	82698	103152	121135	74167	241378	57880	226377	59296	274459	120937	67794	44159	178760	413067	37904	176773	291772	113988	128219	168187	179719	94324	215640	94343	348959	133336	119187	252217	99282	407672	88685	115767	121193	105725	206139	116246	126054	264606
docosahexaenoate (DHA; 22:6n3)	3589446	5903253	2626171	3805676	4208299	5155380	3553976	5653051	8551257	2948782	3246088	7838158	5500203	6931642	5007701	8521775	2697724	6073295	3309321	2934402	4337484	13955701	5425150	4139217	5478744	2774597	3064168	1992760	3060263	4730122	2046530	5448613	2987957	6022054	3563634	3719885	6352586	2858040	4225008	1734763	6653731	4692800	3216604	5733997	2170319	2347457	3203074
docosapentaenoate (n3 DPA; 22:5n3)	1452528	1149998	1055521	1456682	981476	2952278	838611	2310074	2306342	1403110	1819271	3501595	2138350	2712218	958040	2254863	763506	1590124	790681	1091847	362640	5375096	1596612	510173	1820834	1726633	892444	1501421	1484286	2350606	620888	1698155	858642	2558326	1293456	697219	6355350	1315050	2379191	1145156	1751537	963557	959847	1238715	739794	1398956	2378220
docosapentaenoate (n6 DPA; 22:5n6)	1671310	966438	656889	1344445	1984378	1764229	1184158	779523	1755123	712580	1012050	1567175	1491403	2495061	575710	1186983	535830	1127769	1612064	1103145	1039357	3282954	639408	292781	624382	448375	335350	392295	306112	742576	232188	661711	500295	1843767	491529	557991		429221	990030	471755	707098	830505	523926	716935	350494	318374	772159
docosatrienoate (22:3n3)	60507	63063		65333	74502		36796	111924	32027			53743	71171	147622	29500	72037	69359	62342	64119	57937	75122	58356	100130		93198	98422	41997	47741	94616	121995	54494	101119	60346	104745	85332	73920	151869	69975	81403	55348	61592	50485	61991	101989	65127	70590	121871
dodecanedioate	12248	4042	5120	3894		19843	6630	54475	11861	7666	7687	9141		55301	29199	8045	11927	7173	6312	10667	3927	38423	68454	10655	24562	12726	6901	15306	10311	11849	14691	6957	8811	22356	15806	56330	20644	8985	10625	6412	18471	29088	17855	8594	3874	13407	53337
eicosapentaenoate (EPA; 20:5n3)	918926	1622526	608708	1330687	1209146	1535982	1008646	1345436	2530240	730646	1993742	3681370	1124954	1752649	872923	2131979	635273	1425398	741928	869286	452352	2338186	1449913	627857	1479062	1359737	598266	824393	1004416	1211248	591994	1208374	638369	2011749	1196287	739265	1451532	947561	3108936	654711	1476075	763345	502374	829623	613398	1079979	1262646
eicosenoate (20:1n9 or 11)	3387612	2341298	932038	2389373	2049217	925258	1359340	5958613	2572014	1943063	1630276	1936416	1410764	5040180	1055381	4380659	912655	6320748	1870718	1183780	537125	3128989	4604044	557181	4354847	4180199	2102696	3612041	2564887	3388028	2353188	4173011	2046148	7826732	1787206	911509	7766210	2513196	4406943	1535298	2229365	2082604	4485873	3152263	1740413	3100632	6185327
ergothioneine	59095	374886	65772	60678	126241	90221	273473	133928		38068	30379	297806	371117	491859	209051	733215	149765	469655	248053	76747	169257	355682	149631	492853	295903	207597	281261	803740	498767	293864	920996	694213	324033	829154	1660752	495765	633167	981944	351484	1053806	749404	583711	1170648	409085	332321	341903	370189
erythritol	828899	595216	1050840	536304	859380	791652	1733633	252601	1542727	416434	1112397	1515214	1034048	238882	281474	271160	254268	664333	686069	1131381	500622	255247	339512	438428	835555	505840	294252	575114	241144	370767	455890	278121	405196	562897	430533	397652	317651	450322	427190	303591	380499	206940	343345	348530	256029	376723	272428
erythronate*	203268	207368	260269	318293	214448	240229	336241	152575	1074479	156540	250912	341047	254078	153587	136658	228231	114009	189228	221451	243422	137008	130684	136547	140890	177947	486326	217183	302957	168516	321345	208079	133140	310707	285883	198846	123506	214783	229657	259961	217154	255015	209971	181656	188856	188014	188557	188266
ethanolamine	22389516	49936036	16023917	13892890	19683438	28799948	22239846	28482356	52788400	19050482	16960780	28023510	13291698	31957950	28700396	11183212	17055024	42756092	15077578	10665012	38013748	41848300	13019446	18030430	19051290	16706013	7061653	17464878	23287768	14314315	13713477	9675903	6470982	11383326	17333100	29411992	9475000	17186804	12724602	10147581	59809796	27127668	8585723	15568920	18259550	10449017	24396504
flavin adenine dinucleotide (FAD)	48979	40088	40640	59896	55110	96786	62963	114951	72128	45905	57485	67790	44894	182406	84805	86112	56390	57041	34718	54220	26760	145128	80345	24903	91806	95984	70195	84417	78617	103306	64072	59929	61071	69728	75953	100669	67339	86915	57070	45483	121813	104146	95790	76792	72595	85126	94570
flavin mononucleotide (FMN)	5374	4695	2940	3574	2761	5112	5658	4305	3148			5303		8056	3054	4485	4001	5259	4449	4262	2530	6751			3972	4617	3574	6307	4039	6525	7216	4151	4345	5034	3826	4224	4479	7795	4207	3081	6030	8833	4983	3178	4588	6406	8085
fructose	1672173	370059	1540603	1348811	2934130	1343104	5645297	1865043	2293107	848114	2043949	20120594	3863426	1098326	834491	2912743	1221277	3379019	2388238	2208458	1526407	1284620	5168296	850889	2865030	2277819	13471797	4313129	1307958	3094555	4760670	3426427	3641016	2981843	4109022	3415305	2653287	3868292	3354482	2746835	4549806	5573897	2775992	3230745	3248629	3976823	4569544
fucose	511927	158565	402038	115528	425946	150120	329878	194634	711284	94777	351962	639447	279837	314080	236736	298961	179026	110477	219625	160905	203118	222860	90267	579098	168932	234352	105910		503628	195733		227412	146123	129115	82887	151822	135882	156602	254824	159704	233191	143500	124781	194634		153393	135948
fumarate	2663705	2471293	6781639	6157836	5752327	6584644	5797222	4698960	2806596	3799266	6292759	6969349	7398806	4444453	3769659	4389621	2687023	3437263	2323254	4442075	2179557	4801140	2900286	2195848	5885844	6023142	8822731	3945784	2946383	5523306	3502426	2386274	5197842	4162203	4568814	4642623	4765396	4661807	2750081	3905977	8087475	6281900	4512476	5391339	5526930	7026124	2439843
furosemide		7783		27587																						100947	7238	13588	43658	178151	1923	80139	21222					4834	34532		14277	29523		37521	10555		
galactose	1071408	290320	283006	195098	5650394	352305	217748	251808	1114715	426774	131214	360892	301634	1221312	113702	583107	84373	76381	411329	285032	66819	996310		287640	419386	243989	1100387	1519491	1300093	988102	365931	657563	634184	598113	515762	608645	1431759	1288789	775747	1429838	753619	1338101	980789	1106416	2452187	887154	2597952
galacturonate	273843	78316		164986		202421		1562523	297520	336759	1110350			932880	1593904	1088407	262793	1171336	342232	708427	317916	243996	2106180	167454		567929	3118840	6042638	2194773	2469178	4689260	899139	1328964	1254258	3363348	3071353	4227842	924759	769343	1615162	733241		1535546	2552590	4714829	1254264	2229446
gamma-aminobutyrate (GABA)	404772	482952	216436	474631	260309	1027396	458299	591996	716592	540584	821443	673309	521212	701518	513849	481010	1153569	976926	677390	377493	320907	1006094	185831	399169	1283257	1250582	1138796	1278464	680814	1745853	509426	472579	746505	680858	631191	590063	368781	1092738	1329688	538669	788749	1046247	677435	1034710	1038747	885916	1071258
gamma-glutamyl-2-aminobutyrate	34473		11597	33136	30247		14792	30992		49035			57149	20123				19460	46286	15315		11012	31943		133845			36309		36133	112697	72012	29432	34915	41947	45381	43152	49348	47385	21942	17193	35524	26179	45066	51795		52247
gamma-glutamylalanine	41939	11135	32121	56241			116950	34641		35990	78820	48331	130194	35589	16695	28090		65735	47285	109831		36926	56235		73000	39130	57494		102532	180421	400245	125395	139270		144783	368051	151740	64654	54325	264595	118905	53060	82947	81500	79688	73000	99118
gamma-glutamylglutamate	55683	76703	58779	128008	49727	59098	51500	63110	52391	59378	60569	43983	159780	131419	48522	53937	42522	41499	69027	54948	20591	53993	37495	56081	149021	68046	77046	64206	329439	139403	363719	189103	138333	54290	156433	575981	107163	85579	126984	204677	285537	92041	116830	84721	162608	108785	167137
gamma-glutamylglutamine	41691		23095	153301			101190	34108	22141	57840	87986		121196	71693		45229		117160	55636	279361		46845		32311	129755		91576	39057	155040	394169	712051	117972	529548	21577	187144	637629	65632	98108	45003	696633	164538	54781	71935	57863	95166	58204	252699
gamma-glutamylisoleucine*	27282		43869	44334	50717	33546	80312	91580	36090	31900	44375	67534	67071	99869	56216	110532	55430	36646	60290	46011		54195	54584	15192	136455	92693	55659	80238	126552	65058	60109	101008	30988	56834	99506	192581	74118	77223	92248	38610	135258	90504	69254	95356	88408	65222	58643
gamma-glutamylleucine	91383	102760	113163	108804	120184	81407	205024	187823	125567	107038	149918	213454	206345	299577	208401	278947	204037	109934	81873	107154	56531	156037	162693	54626	474307	252841	169265	279228	336914	205358	252036	336717	139814	156125	447630	991439	256258	307322	322995	201242	651070	257928	224707	321606	397840	169862	245031
gamma-glutamylmethionine	44362	24122	36918	69085	29606		62013	51848	22469	47529	41618	46481	66327	79534	48407	55915	79145	50405	43676	44045	60234	48824	54936	53989	84918	105276	62013	30841	37314	65504	179735	105492	162398		74490	217620	63032	60563	83016	88822	72271	55919	67786	67216	94180	84813	89014
gamma-glutamylphenylalanine	43255		73607	58855	53145	62490	95377	84548	81517	51999	80379	72743	80758	113683	68252	148107	67629	53041	47747	40999	30994	80210	41023		189062	101452	66328	122022	137717	53620	78111	85269	61751	66569	110753	229545	76124	92553	150508	61929	208305	173003	61186	105967	247671	67272	78223
gamma-glutamylthreonine*	23021		59772	37207	32177	23489	66510	249343		62961	75556	86310	60811	137729	68228	135174	53379	19539	50820	53289	31768	54840	587203		272091	72419	90881	207692	151318	92194	153087	265147	65914	89568	267431	415842	265130	183997	561981	61556	181983	73532	108217	397029	385122	285623	126647
gamma-glutamyltyrosine	18112		32639	21766	26890	29748	48126	75473	37956	31496	26474	36458	42530	82345	46686	93231	53024	27513	24924	26704	25811	65160	40322		149253	80432	52089	88232	65759	70587	81936	72868	19215	44864	130530	245211	56988	88526	136705	45981	146667	68248	72427	79273	89145	51746	74756
gamma-glutamylvaline	49293	35024	40959	25996	35073	47431	75175	90125	54394	47696	51899	83068	64337	197988	70557	114868	91380	42423	20583	38411	25509	61569	50825	17113	166200	65766	66361	130291	128057	52179	100357	123623	48705	61179	124897	245623	84218	71367	162253	39181	155756	84425	62191	139533	96978	64894	183406
gamma-tocopherol	55588	65911		60874	44454	57463	160918	27555	25288	37413	33585	163287	65146	96520	47734	86883	53615	73934	30308	38800	8463	36143			15132	137922	47407	63780		63378		59483	18317	128388			36994	77503	76576	24349	228282	98147	52530	84631	76147	76913	94427
glucarate (saccharate)	160491	57518	125862	113464	88268	203862	403501	592817	53424	57817	74885	339374	203082	1924900	185514	679122	202322	482348	122689	189274	51924	511477	339756	62004	363509	201643	342629	579640	244770	252158	491943	320861	477289	210344	239075	605260	257943	463597	8430343	205834	567938	739193	641455	847698	1891287	377746	383007
gluconate	15669518	325624	15929531	7102338	11585101	5398020	23309320	1378391	643025	9105796	16313074	26912348	16768831	1082942	1920566	3450044	2313188	2445318	7676625	20212484	1449954	2914603	286257	1764146	1091090	1175604	3431446	643353	4652872	1226170	678231	998516	1671382	1266992	1223722	4494311	558913	926672	415381	848445	2602569	3776572	5904930	4011044	2222523	1116460	2354653
glucono-gamma-lactone	23596		114704	59542	11289	21255	113806	8198	3088	59063	240234	63082	137331			17488	25511	18140	38798	72934	78602	13181	51899	49259		51899	29886	15883	25912	17309	73837	106890	114227	5478	45403	102464	11673	74828	57816	45191	111569	38432	114681	45560	98700	112571	64507
glucosamine	926512	349961	3401519	634559	1822390	162531	301676	484231	311883	274548	518853	807893	1309089	401561		750705	182971		215642	483437	106964	403403		222914	469416		1097914		498739	225130	145908	415940			399142	413328	182410	498982		128438	952222	401561	259417	211262	313190	570759	395613
glucose	244822048	6158473	198534784	134794976	221969440	93955512	380978272	225128496	13585852	226234544	262070544	398181792	266571184	83036360	154926144	260663296	90514376	218800976	308977472	278688064	150736672	73842736	180026496	82312824	282073760	223066064	282862688	230332624	178102384	199454336	291031648	214664560	189500016	238094128	243273344	247884256	139070368	273561824	200596464	177909040	289792640	246674880	275827296	192729312	160231616	258961664	208277168
glucose-6-phosphate (G6P)		84440		152519	187055	110371		354168	106797			271273	225458	240615		392827	539942	753248			342706	284532	224281	102123	208922	838134	611491	1008179	443581	845515	1337982	1543981	881455	1394158	811611	1409026	114076	471748	2050626	271886	792490	843707	314812	134295	298320	816755	378173
glutamate	6773771	5129524	7815947	6693747	7301060	4139557	6292061	6681154	6457341	7666202	7257497	7809975	8633990	7827200	5512574	7114547	3432681	13200014	6135752	5997993	7167768	3482291	7443205	5536164	9991194	6367549	7808346	8824730	12756838	6862874	9804194	14003281	6173547	5083738	11639777	12230116	9394446	13151487	12215474	6211405	16346612	7926765	8972675	3458138	13277337	9324906	8323500
glutamate, gamma-methyl ester		40060	48740		50151			45004	17763	25221	41464	28588	48241	6630		17086			47930	54445		18566	54690	16402	83853	24218	44624	98171	37099		37040	44598	60540		71338	45015	35117	61066	44206	20376	54405			7844	42264	45243	54199
glutamine	5249342	2543057	4821512	4537378	4772727	2402970	4970006	5322614	2268146	4571749	4501823	5017791	5625166	4993982	4422413	7147696	2896831	5423061	4041938	5382238	2063878	3888457	7012598	3265598	7463060	6297275	7790450	5947131	10998612	6470457	7271854	7630273	7008603	6417792	9000644	11120204	7269713	9270521	6411698	5218531	10662153	7843505	6801104	8383068	10344185	6185241	5887630
glutarate (pentanedioate)	20488	16626	38226	30857	16267	21867	34353	32093	35596	16109	20659	23008	26845	21055	30904	29541	9995	35960	14512	28278	62505	17029	19938	19551	8580	57518	37004	43522	45835	36139	69182	47387	46048	58042	62210	47360	69730	40209	53289	26766	97075	30857	37768	16336	44100	38098	28072
glutarylcarnitine (C5)	162330	318335	236936	295783	145574	211323	269512	83540	143564	191346	202643	246971	354823	264603	109747	527648	120549	119616	200587	193458	71253	239727	222058	76708	202958	178429	120084	304273	514999	261088	450006	288905	235907	180260	363889	237391	225172	164691	416712	242550	300879	173284	297457	203908	232152	131202	335048
glutathione, oxidized (GSSG)							17166											17291	12461	260271			20661		12624	17869					17229		15791	27632	12747			21411							12038		
glutathione, reduced (GSH)	70222	71020	34085	128038	34806	59624	83942	43742	61982	62869	125766	62643	85353	57952	60605	152519	167786	220136	83199	5479001	28034	43516		29635	57404	69004	38797	111486	69423	787658	1278435	75248	465955	25620	41159	109151	57639	82386	146164	1322356	84342	78777	67320	54532	65429	46936	302151
glycerate	1130866	787246	1185127	1085998	1564657	835713	1084766	1875924	1596419	670788	655508	1536006	995789	1082434	641516	1376144	3078486	2722266	1108351	619245	1081290	1189367	2576697	597449	1864870	2457454	1136703	1804669	2691026	2817963	3658783	2007067	2481469	2591880	2061752	1916997	2164012	1815213	2593480	905361	1485879	1146229	2251043	4260793	1675196	1226917	1679714
glycerol	146263840	75724328	106161432	106555496	115169824	116105680	150907088	170001376	67781784	91880920	115646848	147901152	129394288	111374064	44413164	135181280	46671616	244535776	117675288	106683400	60110732	85731728	105504968	51329352	131343176	172518800	76152544	131977840	93040472	128640608	111501968	104797112	76905584	176150896	57793908	48643480	115654296	129273688	162184480	64168812	90032368	94271368	121453200	81782776	50321112	126165376	126041680
glycerol 2-phosphate	1122638	432164	1615884	1034468	1265876	1872850	3241030	3614314	1872835	529236	1807512	2672268	2718918	1938173	548948	2344868	833486	574450	549972	1992333	1048359	2941629	3149926	535161	3173096	3518439	3091162	3048586	631926	4875834	3015131	1478293	4546987	4669187	1349384	1251245	2693813	1612686	2798712	2919289	1186763	1764490	2228425	2630958	1088286	3858769	1833078
glycerol 3-phosphate (G3P)	6742235	3258026	21774614	11473059	11378108	35152432	28801164	80327256	23618472	3873176	11850394	31674576	26674424	68985688	31839560	50330352	41651008	5172880	3439339	12953284	11752319	60807280	89510168	6179222	62833116	66564828	46449596	78255320	31932144	71649744	66766036	36481008	60595864	53983416	52087532	59424260	55190420	41157884	60269916	46942724	57157532	62852592	57015980	39780792	40685568	77824952	58665760
glycerophosphoethanolamine	475295	136996	700010	286766	423500	530360	528582	718663	579488	337625	382140	698695	584140	729350	191523	456350	229989	148178	168309	659389	261565	718602	592738	146524	1011461	742853	697438	778087	192033	835783	794105	477625	861589	870497	511052	508643	614263	495574	814796	492209	334504	520518	495563	827743	312959	733892	519116
glycerophosphorylcholine (GPC)	9859771	2285894	22663374	8423454	10257073	17147674	21389708	31689724	16850714	6160550	17288902	24227252	22490146	17273030	4283161	21956040	8348007	3533024	5415428	18884442	9484584	26399162	20243822	6925455	32995888	30358436	28773982	19552526	4913367	35937744	23559274	17536286	42218276	38027940	10297734	11421148	23877694	17395060	26846068	16677802	5514030	14975417	20858274	25060792	5871010	37419736	14738845
glycine	153904512	135432000	186011376	191190096	192274992	171404768	243846400	268285968	136414192	153113744	188381776	229550576	225714576	233974272	192887616	239978848	201168288	227858592	144061664	150982144	149386368	183586784	190313328	110201360	369768096	198251472	182794368	250108512	275534432	197638832	236506768	299750976	110143896	172971856	280589696	345577696	184552784	243328048	293356512	157031312	269606880	172918160	240487808	198805760	271645920	148244080	169382736
glycochenodeoxycholate	1118293	188221	198639	684671	1858228	530527	3474061	758070	165260	1545124	2033472	3366467	2894053	861044	627735	1944277	2123982	403385	887896	6878951	161284	695598	1346871	2690496	2057610	1308159	1359498	3263951	619812	879066	3057826	166850	116033	2776412	1069303	1517571	2824247	6322062	1597714	1255841	1320786	1082528	2032210	808707	2845878	1449360	339080
glycocholate	637433	630468	145502	1346439	4108236	360512	1795269	812327	300351	561238	904611	2017132	2380650	445181	322996	1544570	1105263	243219	946644	2864881	215372	789960	1104395	1719194	2264326	507000	337963	1260451	801034	502725	1887697	426208	28303	1876578	400425	1303303	2327217	2618177	1427767	1209565	560974	1042379	1212905	595591	2028067	1038928	139346
glycocholenate sulfate*						9760	25030	23842		11138		19824		19349	6551	29853	8175	17322	14226		3282					30283	37398		11537	27129		12139		72073	18026	40395				18037	33704	20120	19349	58656			15464
glycodeoxycholate						170520	1682268	379000			1522623	1523605	134180	201694	168764	274795	417217	300104				223281			272898	370652	546436	1180472	118983	201803	833098	68260	8221	714994	120528	3992664	735126	297691	275598	1260368	552839	509918	543721	449548	597761	1475200	302558
glycolithocholate sulfate*		10245		6127	10482	28040	55005	25327	11116	13488	34717	22679	8949	9133	9972	27033	57195	20381	29577	16123	10551	28285	9022	48061	11942	19288	23567	49557	10767	17204	42809	12221	6139	50618	59821	427122	34480	17111	20991	25255	61518	34514	39576	97947	20850	15474	54420
glycoursodeoxycholate	21074	5516	24601	197304	144376	53772	289271	34772	10659	10315	183056	290825	76066	30186	23776	37849	53980	19030	16057	1279989		48275	59684	13359	80056	95216	49210	107216	49052	46279	169123	46249	5147	77693	42552	340004	296048	229864	45643	197133	35045	58435	326632	74357	226418	132147	14754
glycylisoleucine	18596		16195		22150		21055	17171		22811	13924		26403	22510				44479	24541	15455		13542	27192		12241	22811	9919	33699		52422	32456		16369	49283	23504	17373	25753	38891	46397	12320	19704			42551	28712	24192	16300
glycylleucine	161144	27495	119171	138751	238274	19438	139305	81036	39205	121902	78377	300534	199616	61041	33984	85362	45297	329893	128130	67540	92641	72154	161457	63219	88651	433422	75494	319106	117150	252492	430465	244155	265923	260798	179607	109618	142598	256281	255848	74140	136144	91756	136698	240455	179218	232401	234361
glycylphenylalanine	53028		85475	60937	54018	44945	71304	57410		50390	40106	86462	41787	28413		46514		71794	42244	45949	64489	34430	85521		54712	201961	35906	168669	47347	70209	193906	87796	108071	82097	53745	76976	55160	68529	85491	64615	56458	64740	60111	93869	73547	81787	79753
glycylproline	217457	71610	187199	133609	277634	69101	294439	90764	43057	94041	113808	224781	271221	80505	144570	140687	1081530	169542	106495	123956	160628	149771	112710	81021	102055	549422	79841	143176	64452	375578	229687	172943	243914	214757	168164	94663	154033	238874	195718	85106	138365	125762	133522	193047	247386	251444	319361
glycyltyrosine	33927	21907	36880		30803		15755	47065		31220		27884		21107		34468		45850	21446	17441		21046	36080			77748	27706	57316		32048	51632	33436	29264	32092	34468	23642	48396	47392	40336	35140	39693	36924		36729	47023	35831	
glycylvaline	30596	30769	22360	30182			22962	36541		19411	14510	29860	18758	24660	13035		25785	59051	31538	10385	28640	36138	41469		28409	46646	19485	49101	38135	62258	43620	33838	37148	46285	52404	43556	38629	60487	48666	17238	18490	34025	32272	39871	44950	21800	39410
guanine	38514	59535	24476	40664	30484		41009	46780	29660	58538	27537	77162	26666		51184		49877	32611	41701	20732	130363		32896	46545		56283	39519	46136	31994	40092	20640	32032	46855	42954	44922	26517	18577	57982		23007	76867	24273	28738	64324		30314	22391
guanosine	48272	19696	40207	20854	28573	33124	77816	184662	49294	62824	73770		29442	192391	90740	262360	183290	144763		92017	68781	215189	221534		283009	121700	135935	237196	416382	252586	451320	261261	200121	225210	280451	196736	246698	165792	243493	161597	129074	307179	209643	233499	193485	227045	383553
guanosine 3'-monophosphate (3'-GMP)	19552	46669	36702	25693	15848	37199	36087	32382	69255	31599	41842	23444	14119	33616	6825	49255	33117	18203	33238	37625	40034	96360	21985	14711	36223	24533	21898	37300	36457	57154	29811	22527	17066	26360	36755	30594	14216	17550	29375	11086	5484	76724	45466	47906	27394	18805	77801
gulono-1,4-lactone	1221578	418009	484526	699606	790156	824419	713660	3928733	1414423	596030	1096857	2020824	1117275	1529517	2344647	956029	283852	1775178	686844	1073924	467920	290772	3762271	392242	1279990	1049429	1271162	5162336	5924790	1238984	2931067	2599806	1180164	961629	3147542	5040511	2481494	1260395	4576670	830309	2265158	1269223	2875964	1992993	3742545	2493488	2588745
heme	12825		123542	36893	30348	360293	30740		404966	35018	51449	18024	36248						108821	36893	465283			286670			16659																				
hexadecanedioate	10377	6018	6283	8904	5821	51627	11456	340219	18537	6326	9776	26037	12227	435791	67335	100375	42483	15274	5815	7678	10911	131745	64814	7108	49589	28628	19051	49816	48610	27802	70536	19725	41725	33324	40107	140695	65848	25764	53351	14955	30575	57905	101813	37552	7190	29748	80265
hexanoylcarnitine	19935			19995		23056	29194		25954	31373	38713		34943					67041		15781	48653		76450	15887				326756	78012	47035	688828	125880	357221	55879	36575	137136	121567	40849	170056	54046		24088		23344	18042	46754	16740
hippurate	10396	46954	480762	12344	18830	135791	38976	413661	668182	12309	8661	159279	35198	580204	385907	476623	765467	169728	9958	22902	10289	46052	564601	13214	430062	2418831	338181	1134547	1099528	3055726	418239	3725195	3598255	1038564	2507938	1550643	2543360	2448623	1815021	2540975	2539804	1872084	3518058	2014652	1888776	2287943	2057695
histidine	389682	377248	330079	364608	672770	223006	467491	528576	233182	484656	356022	462597	333591	429937	368543	584780	604177	7295236	536944	413062	341807	428503	7682645	211843	433494	599009	517316	479599	386476	530247	424445	343474	433996	596730	410420	406061	298282	489234	463761	310009	386182	462241	308723	654946	387798	465841	447478
histidylphenylalanine	26659				40729		17788	24285		51784			16768						88194	24173	51181			34277					26439	12656		22375	17969	107232			19200	26552	20319					52225	21605		
homocitrate	8539	7499	7884	10669	3173	12371	12058	22563	31018	7025	9328	8543	3675	28927	9498	9369	12935	11488	5080	9111	8181	25753	9317	9197	7134	10722	9275	21283	6763	15311	3393	7233	13033	13353	7145	6175	8650	8925	10929	6951	9816	7075	8592	9842	11270	10516	12053
homocysteine	47315	31991	38596	25707	28281	26098	62028	72611	22247	47728	37799		22543	60205	77190	57607	37953	40356	48089	45644	31971	55831	31771		94536	120995	42778	72887	63909	85955	76635	96794	68529	117792	55903	46259	41271	124305	65417	85074	93490	58501	50856	60549	65354	139334	125878
homogentisate	74125	59445	8195	10946				6161	3943	13707		10351	8673	3102		6065		39023	10703	9536	3119				6270	8010	25226	37889	12305	6847	12512	9683	9888	30185			7248	30439	11681		5305	4447	10894	15260	6105	25831	22785
homoserine	149688	92978	127751	112545	145357	48103	82931		87232	98910	91527	91856	79269	43763	43759	103829	58580	38473	57619	62878	63442		75071	33452	116210				57351		27966				102705	41091			64006	30918				33378	54149	28926	37220
homovanillate sulfate			5063						23510						12532	2927						6797				88696		5600		15044	2143		20618	30748	5742	6005			11526		35764	7230		12247	8540		15823
hydroxybutyrylcarnitine*	433486	110933	609671	91077	102422	156516	157435	138456	246613	78389	83075	96408	216789	154867	449922	86518	58188	55953	115894	51363	35328	54075	223138	290001	129618	166686	308025	912069	135210	125421	461200	69293	270264	213578	115286	280725	140105	160909	265997	387945	260260	469224	95726	120407	107445	179646	77189
hydroxyisovaleroyl carnitine		314919	161451	128205		37907	128205	186121	208766	73335	166251	46193	123297	194794		353093		122900	108456	89956	51550	212606	149129	36146	218974	174516	85411	465229	858536	119496	103697	223712	109329	129506	85948		100267		413194		71505	70022	221306	340920	40310	120003	250465
hypotaurine	1708118	2031861	1759980	1570333	1708082	1898840	2547705	3256478	1245559	1606646	1647348	2024792	1475483	3298985	1993763	2340550	2329590	2053519	1662205	1105485	882509	3025612	2192156	1055740	1783611	2599842	1906804	2297149	3417343	1918505	1034046	2167769	1801000	1887139	1239407	2921091	1520794	1838892	3035834	1750343	2922307	1822861	1256636	2470324	2128694	2464963	2403305
hypoxanthine	3366717	644266	4467494	1649861	2462281	3282247	8105184	39878260	5303621	4120271	4047198	3933928	4331934	55018744	31188238	46737236	29138150	8080713	3558143	5372323	4604135	48583940	16583397	796191	55567268	56202916	55688912	68396472	49887224	56588684	51103884	54418948	42254384	77467784	48663952	64490136	42120304	61127360	55142796	46871312	72919912	54123224	61199408	50966816	41055568	56724356	61324808
imidazole propionate		10518	43832						35511	39800				22340	20861	26377		24945		16563	23514		204487		27372				40899								12551		117229		15107		15204				
inosine	67031	17684	64709	55996	60122	49250	119532	744545	95759	86184	73449	143840	84698	559187	250421	715996	334842	235585	70679	77115	156196	444594	1413669	40086	1093125	1862520	1663360	2705013	1637763	1817649	2786227	2345826	2053177	1236607	2087896	1785632	1743566	1414779	2136761	1245392	1041831	1390411	1605093	1181023	1830534	1906948	2089744
inositol 1-phosphate (I1P)	252716	1977795		3584010	1609774	1942697	975740	3401396	1210524		63601	3557367	1911491	2495360		3435567	2051292	6180996	26123	46023	1770879	6962427	2128888	875093	2498786	3074556	1201895	1539330	1782759	3352371	1497908	1666828	1675189	6398752	1615918	987349	1882860	1488939	3492362	1151246	2034370	1556722	1562360	1776819	1083570	2054559	1828794
Isobar: ribulose 5-phosphate, xylulose 5-phosphate	102685		33359	50213	70825		86541	143611	78528	24952	35881	70919	48833	56781		101379	46044	76395	39294	12658	60831	64251	322115	34082	95750	318647	110155	633346	85108	713020	760150	235107	445039	478149	336735	101452	411759	160533	205865	103888	97433	71246	101525	178779	212344	310871	285913
isobutyrylcarnitine	143535	336051	86264	74698	24217	109657	122733	68731	221358	104181	57847	47049	35539	349551	181384	456956	67237	71454	189025	46507	55043	122854	364558	65511	198635	107442	128951	1678263	334611	176498	1396409	439460	355878	69672	169100	735009	336347	196844	2593454	1642179	158858	399671	238380	260364	571740	403360	371280
isoleucine	17178650	11826915	12767875	13523336	21164376	9069561	18691734	22198640	10799713	15194226	14379927	23410048	14344853	18359188	23567508	21656630	32519332	20504810	14861184	12576710	11579554	16212096	15370150	6900407	17416734	26685826	14560852	18375434	19988800	23015068	18495788	19467624	17894636	25986740	19528938	18226828	13692219	21175406	19975002	11672543	18808632	15727687	16301303	29097680	21295064	20398122	19332140
isoleucylglycine	55642		36734	48909	67474		42326	31055		56725	21768	68532	44334	11984	13160	38579		136596	48823	27683	46681	16007	75606		37642	100632	23716	97757	29545	124728	204986	133238	120274	134689	66703	40094	91870	139054	113037	24134	37680	23169	48038	88092	84315	52232	67157
isovalerylcarnitine	92813	537262	135705	75159	24182	98341	132583	54424	459788	42319	64202	83196	87284	362179	152305	78641	104422	64708	52771	38269	53716	216679	71000	86174		125426	40819	709824	123656	122960	747583	392564	140693	40236	62198	191016	82653	45220	304166	671927	106250	76391	129676	58997	113449	37191	294646
kynurenate		36547	12281	6089	3889	11576	6040	4516	100023		2619	5655	2904	2168	5872	8900		5880	3310	4605	9906	8307		6919			3501	5135	4809	6151	2867	2850	12284	4923		8478			8811	3148		11965		5704		4845	22300
kynurenine	206090	972648	1644657	423806	382726	1329744	717054	800343	302225	817840	535443	786001	900996	219496	3345674	806197	166468	3689867	400059	539113	364905	322705	583619	633180	573356	163945	111232	650320	612418	929646	900943	500051	310625	866514	382224	829716	324004	455885	441703	295795	798885	965755	59922	1147599	441939	794034	493590
L-urobilin		17627					482877	31460		4314		547293	58631	84119		257473	48460	66231			12210	133370					390124	32319	90807	41410	52558			55594		207012	25476	27591	37033	60961	239993	85148		21713	35382	41268	166163
lactate	373273056	314039456	332584736	417072544	326914784	400198080	443416736	237762528	266546512	290899232	395781088	392258112	346128416	112390264	121476048	231761984	95588960	504265728	369154880	301478048	378504608	155488576	371763584	429280448	330264800	391466080	315047136	373818944	223957696	416698496	404481856	326876544	346200128	433351904	351802080	247586688	304326816	383797312	430633472	273818624	301551904	280577856	338258368	328350752	362164704	328902208	361542592
lactobionate							471159	192966864			1200547			826028864		205409072	73022696	830851		219514		956674944			89246128	162691664	129267016	87849048	129164224	123386024	164504752	159460752	140979488	723183232	195220864	123700664	348652224	62838384	17675236	480876768	280605600	148988144	218519152	422702976	346762048	159052816	252883280
lathosterol	21701	30628		53049	53202	11157	26858				21760	20535		38115		30389		39968		31606	113662	25398	18291	24839	49208	14256		20326				18806	30746	27444			11981		38298		13740		17778		24740	27417	
laurate (12:0)	876015	614335	468335	577667	494185	531353	287190	523882	655800	575366	316729	283011	234703	842503	520027	437529	487520	452813	624435	428457	197628	471441	922383	297955	513343	700464	277682	527206	562886	530356	397558	395797	538723	886010	462636	544323	532922	486719	618595	307255	488952	510512	384541	443352	425267	508110	707954
leucine	43299692	31900228	40543280	42837712	52117092	23757130	46403248	38688380	30232012	45425168	39289540	59655324	38728400	33321504	38633896	43438460	62445568	41973404	44121808	33840628	28050782	34150996	33076080	22607708	37401288	46607608	31311118	48934168	38669052	49990592	46883048	41777848	39354216	49902772	38811556	36095460	32534076	47943156	41255228	23119138	42227552	40180596	34612788	56094368	43203188	41617908	43118372
leucylalanine	21291	14274								22952	15553			17356		34020		33388	19840	24630			16842		20645	21593	27080	43630		44798	50607	15452	35906	54155	40672		33226	50520	37386	16042	32305	31542	23348	31210	37477		33200
leucylglycine	21299	4955	12511	16258	30053		13643	10841		19344	11105	40665	21861	5863		7193		51191	17727	10477	15135	8643	21338	2077	15212	35044	11130	35506	10700	30213	76554	48606	55360	34692	15292	10367	18024	39627	40927	8252	9184	11159	13020	33649	26064	21885	17727
lidocaine	51829	406902	24783	35702	50821	1116458	41892	57811	31439	30960	36685	74130	40313	56905	24630	58054	6319074	52722	194132	55454	60116	52905	52875	34636	50518	42050	46811	13568009	44968	49908	53340	50535	124435	65403	29171	35270	47177	109784	75445	73780	52333	42816	59377	92819	38332	38044	46286
linoleate (18:2n6)	92899840	47194808	45105212	54397576	55093828	32706706	44692160	104003584	46383692	68044464	45502444	50189396	45958708	103418832	35154760	107571592	25368288	131247768	53605096	51218136	10672867	48174772	105833088	17803114	77376064	99731768	64968876	75638832	58818920	86130032	45154844	80003656	52775928	143545024	38512200	28213588	114225736	83229224	145573632	55886304	42802952	47803444	85699144	52794196	38172340	63196204	87692616
linolenate [alpha or gamma; (18:3n3 or 6)]	8803868	6041618	3950491	6799278	8142479	2963306	3265848	12303588	5514529	6763973	5563701	5668644	3628678	6659485	2200088	11830128	2297844	14131382	5819577	6988863	988003	4443006	20036778	1327823	7611122	23735028	5497039	11810572	7714858	7419676	5621519	9831013	8685219	28342796	6996973	3189652	14198245	9127033	42223196	5034584	4062085	5347516	7585517	6261912	3692891	9910895	15010323
lysine	2107629	2262091	2154992	1943498	2575685	1488639	2432762	2482419	1182605	2149438	2049444	2668956	2194536	2483711	2088785	2921407	3380452	2281396	2288889	1772574	1418292	1885837	1953600	1406206	2224740	2982193	1519477	2317420	2152559	2408731	1976406	1627948	1778443	2757855	2076340	2461025	1697856	2070953	1990024	1315754	2858878	2109838	1748734	3073723	2098910	1928275	2147230
lysylleucine	144360	47572	43319	39174	74138		54044	39996	35223	136991	42571	86231	49151	29928	14993	41007	47959	147616	130746	45662	29564	22391	52321	19310	27788	163096	55484	136503	40087	119792	170567	74487	93207	73200	56924	15219	67155	149909	116028	39651	50773	43825	56857	110599	77322	85902	83969
malate	24435116	11407467	19196158	21175412	17121916	20104368	24563408	14104593	12159097	12476821	21406012	24722640	25003238	14581037	12215864	17831388	8132386	20120936	13526730	16906842	14258320	13710581	16030692	11910265	17663108	20378126	29940064	14333170	15388300	20428718	20485966	11629173	22872790	11819646	22352554	24186640	18565784	21963806	15832533	16767178	37464088	28535786	19591988	18857594	24562890	27935074	15111576
malonylcarnitine	47036	54665	91797	58333	44807	32922	75600	92702	93334	77599	75150	72828	109676	270981	71133	89039	41358	78730	58984	80701	23353	106990	258768	34860	141010	121218	109525	163048	91969	175558	102427	150010	106386	123584	142828	99946	95816	169695	89406	65147	147759	124275	141829	144255	115606	123546	169850
maltohexaose	7173		47100	11886	9469		67955				46154	75620	109739		28417	15741		75820		10363			13278	14082	4211	34606	8777	46328	18072	6639	102128	26082	5884	5134	12833	19238	16545	8103	34714	12213		6167	7240	19362		2171	10631
maltopentaose	6775		83473	13838	12252		145675	3972			94921	163110	204513		54954	26983		180677		21335			25574	18817	7425	48882	14811	184175	29652	12798	235720	42443	11655	8066	22066	29612	17432	9574	88480	26796	15347		9108	29120		8927	24164
maltose	2198608		3723462	3371390	3863628	2365597	7018957	1321473	583612	583809	8252900	36798344	25644344	3004461	6256950	6530318	283298	15248574	835859	1047560	2996709		2407291	4910573	2594454	15376446	2031834	36140004	10204298	3924769	22675932	9562221	1918345	2363192	2291522	6330011	4890501	4718399	10226312	5664542	19782368	1267608	4047288	6907388	15462203	4718399	7454140
maltotetraose	32461		587652	137078	123050	20589	1161196	41536	6294	52097	497653	1593266	1265083	7329	381435	167531		927335	54507	153021	35040	25162	135642	150014	59359	260207	80820	1004173	163886	60846	1668383	282318	46691	33885	128887	144343	66728	79645	544311	177929	811921	46151	39137	164019	1296211	59182	142907
maltotriose	1287790		17956666	7540662	5166860	2281371	29267872	5417134	456093	998113	20956118	154669152	83156184	3216209	18041442	22590906	231093	60934596	1715560	3356446	1961998	8157572	6781684	7875914	3896167	37614864	6442757	93693416	17664680	5102014	137028976	27762254	5192948	3446277	8141035	12872250	7276256	5491715	38314824	14669980	173499936	4965187	8149304	11784204	106621024	10086489	26649382
mannitol		116078	126855	70443		87530	552288		160536	30869		128485	102372	2193368	176846096	9691919	3720555	515653440	98707	122141		4585736	429593600	28901	742744	21391082	1335727	139102176	43359028	77998152	14757702	18319860	12194506	8037593	79746768	38891920	27412664		154281824	8202546	159179	21643328	8037593	67614696	1887984		23403882
mannose	22534750	4404174	33473838	13446676	31193582	10735483	33065838	43835484	8948381	15593842	22291720	34720196	25688080	28780546	14522406	63540584	16064729	67112784	16227310	21368036	9708786	13602506	57281624	6634192	52543472	46989120	198618400	57480204	35183408	88993184	111007072	82295960	66095736	80862784	98208664	70245808	34427896	56874348	52366740	39644808	118778984	63770788	51829536	60248368	51179796	67501384	94275280
mannose-6-phosphate		99725		78969	72551	126009	66214	158102	70145			87297	85186	164892		170440	150907	430605	3492		80899	163650	351303	59334	113871	229028	123977	832545	259807	179836	283095	337068	183757	228156	175813	346131	84097	155284	380815	79813	210727	267021	176296	114679	122797	192162	261538
margarate (17:0)	1816676	883223	878846	863945	762750	1155541	1041734	4130900	970868	1304701	1378242	2150388	1449001	4448289	1162860	3502773	819622	5554984	1057566	1086009	639223	3036447	2769751	590771	3953150	2893654	2327876	3195471	2294189	3895477	1914473	3520027	2111980	8813452	1906745	1405283	5697394	3146765	11357003	1996261	2230672	2265939	2550750	2775407	1581827	2114953	4131088
methionine	5205687	4584204	4198412	4435538	6294558	3006032	5306797	5945558	3252355	4664408	4395421	6845289	4443478	6233589	6105005	6218273	9337756	5335237	6024778	2764615	3219528	5496030	5037877	2993999	6188807	7867284	4282398	6145187	5418700	8247659	5542961	4766027	5034164	8248155	4424020	6078127	4902367	8091033	6724328	3888209	4870438	5412566	4975554	9135278	6806626	5569067	6040616
methyl-4-hydroxybenzoate	157116	112867		122632	99169	103675	134095	243099	161745			195250	101294	337858		204236	85972	146460		65375	105145	163649	98856	49680		192204	155272	193034	194389		123319	158960	180974		159845	406229						185623	160010			146900	246929
methyl-alpha-glucopyranoside				160121	307296	31891		141805	47438				141916	121870	45309	188659	99104	1704333			312301	251488	234736	28460		385062		754061	474106	1319556	354483	484356	478533	482800	115337		916680	344673		162387	520679	234620	222074	175839	192284	243112	271895
methylmalonate (MMA)	79912	25746	72992	96086	139047	37234	85586	94723	47816	109742	87626	156945	95056	43279	29622	67489	14578	658637	48489	55839	87136	64258	43086	79157	114232	64316	39846	37243	34789	49871	99504	80791	161492	105405	78952	44572	29770	79883	71006	26844	34918	53228	55781	36019	32550	41850	30001
myo-inositol	46156256	41428696	32272858	24729592	34587172	22959378	36557652	30885314	30985784	42602900	20221416	27469996	25525278	24338340	19456620	15184872	10429421	17772846	50372328	25025910	30075504	42648648	29349306	29337298	46812184	15101705	10829581	24634656	25261644	25456968	20692346	27707480	18036484	19432574	19027884	26676942	16350746	12679496	17907412	35983028	15829315	12245777	15550006	11383698	16799400	24952570	19542724
myristate (14:0)	5924886	2960791	2529347	2946216	2462888	2553181	1531912	4592881	3129515	3267092	1751198	1298554	1539929	7503072	2835383	4687371	2005472	8127583	2876954	2568007	1068244	2938562	11757417	1262887	5774572	8975038	4202202	5992094	3791128	9974681	4537889	4396031	6087972	22034322	3703952	3288593	10104300	6856150	15997325	3952826	3567255	5251769	3865650	4333493	2903086	6064987	8360561
myristoleate (14:1n5)	353915	337908	210917	246784	223735	287806	179417	585179	407724	234046	159604	138585	140074	838453	366477	330601	238783	602583	166846	152927	116564	309337	927322	155419	351902	782042	223703	770586	591972	602985	605773	413738	549962	2029664	443084	342484	615043	699465	768877	374001	339734	487548	323481	421831	225465	851175	1032462
N-acetylalanine	44099	26040	40761	34806	42524	26737	47157	47234	25013	42999	40893	54857	25680	41075	43553	66903	48372	57772	40558	30258	26783	56194	25526	19790	62279	63525	32409	40416	56867	61473	48979	58451	45128	69484	53033	40374	40026	77075	56530	32534	43343	38628	45848	65987	52469	30631	59347
N-acetylaspartate (NAA)	77000	72249	35318	116655	50072	25797	55341	99531	161740	67192	54044	17650	50944	22876	27650	48985	29239	39718	103862	56183	72634	37287	17734	40395	41335	57020	33961	52635	61814	37686	45222	45117	29628	56910	72668	63875	13641	51323	80223	49692	35135	51697	44612	35327	156131	44055	52209
N-acetylglucosamine	356281	303037	194958	1006741	877174	403778	648131	348927	911400	140066	208548	1145777	933039	419474	65835	639766	178204	997882	79832	217228	146173	1763104	375705	528526	745680	93134	602191	548728	493134	1125159	412724	738278	505493	1795114	1030369	636531	289679	776049	680302	286546	2344411	352587	491720	653111	316543	540356	828483
N-acetylglucosamine 6-phosphate	10318		26783		16123		21159	21372				12906		35906	13137	29879	18143	25759		13038		53809			31744	54390	50706	26534	45232	41847	19825	101705	48748	32301	24560	33776	11240	37852	70725	35949	43159	24992	17486	23680	25430	46231	44435
N-acetylglutamate			33560	43272	58979	70688	20824	96994	128123	17815	27240	35075	15966	57017	188156	203508	67181	98207	16645			123310	30077	10130	67718	59012	62006	44538	211539	28319	134228	104262	50560	17757	64670	107028	98981	72835	140568	113640	94862	93115	164281	58204	64517	16814	158753
N-acetylglycine	212928	166738	141852	230538	279297	120036	240945	175693	186237	211410	147863	307669	214531	120061	189085	249920	464412	236987	332524	119228	109469	176099	110345	138200	137759	242744	117433	315455	161306	166333	203903	164381	118798	185241	152731	196468	128921	144662	185312	77651	191611	127031	136698	198184	163543	145180	165584
N-acetylmannosamine	950279	539195	29948	241703	474966	754228	1157916	1248641	1191491	167828	516375	833022	245397	1415410	38677	1104750	623032	102936	113057	63602	820325	861270	83979	199961	1183144	719968	325785	687542	761771	515259	203036	279958	329997	1429749	1402599	1514470	165148	814097	478215	230334	2727121	1252423	577134	745346	692771	279609	633151
N-acetylmethionine	4601	12895	9273	5348	6345	3903	10552	25415	11012	9521	6521	10743	5450	9989	16188	25116	11480	12501	8335	2948	20543	13917	13310		23103	13610	10265	11526	22387	5375	23236	25531	6820	8791	35285	16220	17939	13503	69577	10028	9234	10915	27285	18411	19941	10959	16953
N-acetylneuraminate	584890	481421	643799	597696	540141	540621	589452	628053	1382919	612310	542891	661205	399067	585336	588861	495133	254753	893046	556696	570113	405819	458111	718240	379347	862808	581646	1082387	768273	929109	686017	844884	898123	695494	559413	809398	950579	860695	739414	798707	597141	733821	755572	676886	810494	778347	715272	668610
N-acetylphenylalanine	3825		7705	2360	3891				21501			4738	3953				4720			4266			4382			7498								7000		4697	2692		4336					4158		2874	
N-acetylserine	116024	128462	129820	100997	161810	194613	204664	234358	140249	98771	144978	261708	157867	183062	369051	348221	461589	203006	140198	110276	104126		82875	65208	213117		93314	142154	221036	188319	117748	135495	109906	211848	134610	139040	121090	164962	163690	102695	143618	150340	143618	235701	130352	92095	177153
N-acetylthreonine	24220	24884	19045	22927	30850	29159	31036	41500	50679	36056	29596	34857	21236	57400	31727	43424	43093	43107	34850	34792	22197	35359	31387	16170	45531	50392	33596	27562	44109	33638	19442	30982	34859	48163	22730	44275	21956	37216	50420	26747	10059	43559	39624	54377	22692	41896	34834
N-acetyltryptophan									15430						23650	57989							40075			34395	28868	5164		597448	1292108		929969	178568	101762	62199	337500	7560	73067		93455	605024	11646	226720		1115294	447282
n-Butyl Oleate	295484	264823	83697	360231	299580	315712	357327	494079	392823	74207	114451	340040	311420	583068	273952	489187	258434	539914	73176	186292	242941		362247	166862	355851	352866	307917	394950	354518	704853	326853	294335	284429	739837	326046	228869	327420	461922	369158	182484	436175	312424	424446	244026	174119	402838	449346
N1-methyladenosine	283146	590244	275849	379587	205452	330961	296593	149017	455854	224172	307909	400802	272881	228969	148449	179154	75469	218799	263636	251365	196154	188954	102521	190443	176464	180794	109599	181189	139623	180881	110417	126896	146147	169372	99839	138806	103209	132423	147571	69230	175696	104866	145437	153048	146970	124010	173005
N1-methylguanosine	151439	236335	151086	151212	165781	144598	177499	149219	195103	184073	158307	184862	101355	101956	37881	176716	78417	190393	187194	165002	132065	149345	136230	70900	160866	145554	95848	217588	152740	241051	226496	137051	115745	192732	117860	115392	74665	97589	185451	24729	72262	205632	181263	132455	139259	145630	263519
N2-acetyllysine	63693	625025	60618	151186	56071	60671	13425	27346	12664	132205		165890	130174	68046		24009		49847	139324	55698		53108		41815		261831			101678	22580		27697	107590	132103		19088		61721	86438	50116	97152	46346			60671		77051
N2-methylguanosine	82127	143266	65313	75441	68209	66067	73229	42629	117312	87326	83410	102663	84340	61618	37021	40312	36704	65660	118773	69604	67666	63432	43654	42885	39791	86490	23919	58689	35011	80173	65579	37535	52670	66890	29966	27563	38378	59111	58582	13052	41800	57926	62040	47440	46359	44469	71531
N2,N2-dimethylguanosine	64288	226953	77030	106907	39596	62690	73929	31206	239115	62014	71435	112156	85183	38178	26733	40666	26924	76149	77394	63508	56321	41313	29385	51789	28319			56080	38081	40666	50235	18514		34119	28668	16317	28292	33118	42370		26548	28819	30641	51537	28354	18988	40123
N2,N5-diacetylornithine	4425	14176							15863	8519		8792		8211	3820	5563		18586				5922					3970			9550				7894				3371	6458		3100	5317				4725	7353
N4-acetylcytidine	30632	53891	22940	32266	31971		28191		75018	16871	18907	26014				11046	20871	39377	34704	26093	21733	16928	20882		16488	18147			43446	32896	24839	19576	21646					26744	13671		26839	19462	27556	26014	22957	27444	
N6-acetyllysine	120474	118542	200827	161449	238462	168502	208209	322707	166354	131928	170419	269891	188605	213345	336032	245740	564932	109056	160935	193434	112200	265646	147176	108753	240711	384903	156556	215891	224939	161578	158203	114743	170219	209183	198235	199130	181366	189196	167270	121568	231725	199276	224364	264719	146383	123956	194026
N6-carbamoylthreonyladenosine	36976	89972	32486	48287	32882	27837	35128	25871	90740	34263	35144	37965	26197	101325	33396	21367		55101	50998	29722	28829	26124	23523	24094	26790	38705	39614	42203	32177	37028	21274	31430	35387	68279	25823	22497	35926		44574	26137	23633	40384		56877	29541	46610	45080
N6-methyladenosine	19959	19871	29666		22168	17871	29245	22332		14136	6290			29647	19705	23805	21337	25092	33640	14466	20416	24061			27453	23700	66336	87680	47016	37344	31921		25215		26730	27019	20157	22682	12677	15365	22690	24129	18492	43328	18981	23051	25821
neopterin	30004	21755	26935				12910	20531	112243		30385			33901	35772	45607		60418		25651		41482	54080		32894	12018	72684	86248	74811	80068	14109	56558	34217	35182	21401	46634	61558	57351	85656	39912		28002	20957	88835	76237	71740	58643
nicotinamide	1281483	1912733	2511141	2007189	1933715	2284494	2873210	4000880	2446869	2005873	2090542	3485754	2236966	5872120	2678794	3803915	3257294	3599319	1828059	2161400	1718553	4921690	4573817	1402613	4367288	4678736	4679903	6190274	3940730	5157218	5108735	5475094	5659155	4225118	5427170	4570834	3863041	4207759	6068585	3004831	5427859	5247451	4375176	4078569	3224911	5625364	5014126
nicotinamide adenine dinucleotide (NAD+)	35123	38290	55117	76457	46566	121614	149995	481640	51494	33002	74680	117362	58303	566637	104257	229755	140813	127605	33241	71906	19716	324374	142970	35438	182742	365844	209842	295822	114910	218928	220725	132074	111307	151262	135559	213609	210466	104087	161796	112900	253232	303878	354029	137328	117059	231922	271557
nicotinamide riboside*	197480	56100	247936	196333	169316	86832	156717	63537	191396	173433	273017	183040	149715	75184	50342					146974	34890	44893		29053	49761					14211				16644	33470	931981							18752		11355		
nicotinate	25941	50930	81393	43940	6004	101744	94246	36357	60032	72116	103270	21625	46098	54803	47030	43169	174988	32485	30203	36365	92732	143656	46026	69720	55081	84726	16109	32317	50809	34764	45471	66745	72982	23075	58572	101200	28175	45864	95109	63187	115106	49247	58953	37637	129870	98132	242737
nonadecanoate (19:0)	158278	68916	70769	84065	88043	88979	79720	191911	75738	76926	92450	139858	96312	105590	41218	102682	43914	70976	82912	91349	65687	192782	112234	48176	109936	104100	101975	98376	62040	141893	74646	101690	58338	115063	63940	61469	216247	72981	182872	60712	105170	83495	133143	85672	71151	81744	128231
octadecanedioate	11493		11070			18656	15033	53942		12668		15069		226776	27444	33313	13290	21652	19051			101178	24603		21746			26980	15927		38637	16646	21160	47781	33869	61981	78112	45006		19131	21279	22332		21473			54939
octanoylcarnitine	15999	99018		21742			21161	71044			34894		26035	72898	33510	22403	55286	47694				53775	56124		69824	23302	141504	162685	38055	293821	289893	38999	90971	63527	93901	52133	81223	67617	170098	85634	70339	92574	90700	408253	70134	35841	73275
oleate (18:1n9)	49074296	19069168	9553902	22150112	19235278	11985008	13234285	77802704	20115796	23765596	12465518	15908825	11788522	39916108	9308888	58229064	10577062	67745888	27214496	13648944	7189159	22989630	37667236	5945537	38956440	52544936	19933274	49007580	35549596	39674068	38943928	48404764	23027968	74557936	17645578	7198280	43192600	41765320	57466868	17369108	16645255	27952124	50722720	30396694	14680993	50899752	50208540
oleic ethanolamide	86268	126807	65285	92154	102651	95225	26284	41524	208718	47272	61508	77915	90298	121464	32562	31540	23809	108998	29510	43672	44350	39553	62623	19199	51298	22493	22084	51679	37389	35571	5401	28225	22306	29793	28471	39387	57093	23225	39427	9616	28746	45147	30560	24653	12497	20518	41425
oleoylcarnitine			58889	44979		101530			580061		17651		45569	147905	50246	47353	45644		34428	23735	68531	53432	349184	62156	105859	25569	85400	176021	42139	44809	442177	48464	149218		250242	669311	56596	45880		79035	167545	186937	69393	383987	116309	36618	106571
ophthalmate				6580				37789						63196					19708	2329188			36171		288698					1101738	811183	15006	287673	18064			35216		110313	337779				15836	40156	11832	226935
ornithine	78009632	54065760	56396128	58025592	99108368	43087928	72865912	92453768	48803064	47372060	59640236	83265376	55485688	65818072	104723216	83617520	202467552	66422576	72504128	46790040	43606220	55645840	54623724	41809880	64376672	103753168	41882960	87614680	73581328	85108760	64974596	57669484	55394684	88618968	59491132	71548568	43653208	61932188	65562140	33093888	77754824	68998736	55753776	88966096	71441824	66405624	77703744
orotate	53867	54091	39307	15824	15324	37680	43597		75690	48188	38961		59784	47262	40713	71428		43083		58561	38915	60335	41994		62439	123654	109577	42588	39663	63596	68627		150258	54922	90992	74591	39785	93285	56942	56800	62165		59509	131379	77219	48471	65008
oxaloacetate	374996	314109	919682	649068	245323	310934	656441	326417	386288	558618	798317	730774	714813	270297	147305	388724	61018	349977	238036	284968	226021	377064	403854	117487	310601	407879	564882	367987	388134	333572	523275	275284	639020	185166	153882	587123	306970	504570	490455	399794	856414	689421	404723	451584	774659	663838	123961
p-acetamidophenylglucuronide	22513					89817			70226		9727			34682	9220	11329						11886			116043				5686		25540	11886							1887							9750	
p-cresol sulfate			5923		10227	48241	52812	11471	3128		18445	32164	20213	11276	4662	55904	45627	2737		5178	25131	21924	7775			204392	17181	34130	39987	50471	33320	129645	154533	54324	70947	70812	40783	143107	33676	78851	293808	181028	167214	95789	112116	91388	236052
palmitate (16:0)	102299528	64006716	55737112	64297592	61943864	53621184	38937116	106258832	69361144	72894816	41826696	61130816	59530948	107975792	42317020	90656280	38904356	114794480	65416560	60094276	38943592	56722564	100478344	30221322	99341608	110458824	87347872	93109712	66719512	101124784	68901816	92102320	77912192	149987616	62533744	44840932	113490680	90093872	133441584	62208304	56354104	76939848	87967808	80380584	47226832	78432088	98397120
palmitoleate (16:1n7)	11188942	11874614	5947496	7730339	9289161	8499052	6418196	22007728	11734600	8804136	4422370	7564348	7451929	26783790	11131699	24699486	7947078	32116290	9297091	5941474	5391483	7479332	27901902	3630025	22053406	26184548	17955252	27496456	22032878	29535338	20713202	24610528	20827002	59365976	22136590	10881807	32312694	36048280	47959644	18280726	17688938	16324614	19415548	27192022	11593218	25773762	32808490
palmitoyl ethanolamide	83592	215008	82353	86529	114027	134778	42246	69980	278915	84950	37376	149749	98464	101771	49340	45779	61136	108915	78812	77187	75296	55116	73639	76488	51167	36364	30319	52316	68322	72025	36586	64788	59644	73606	67297	56308	102811	37193	83595	54054	73251	84484	42411	44081	25916	48944	79737
palmitoyl sphingomyelin	10125175	7762373	4699059	6151002	4945593	7272527	6130541	7828982	9143068	4526127	5042515	6632736	5228143	9419779	6198471	9362646	4811692	6262341	6772807	3567466	7174470	11568657	7754704	6204664	9577628	8368716	7044031	8223190	6656749	7395508	4858308	7566822	4584768	7886205	7481583	6712004	5135581	6233186	7814999	4592719	8983138	6383007	7124284	11197095	7567614	6813550	7971510
palmitoylcarnitine	33138		59792	27350	19018	102209			289310			22209	27492	117174	37089	37729	63828		21577		103537	85972	167136	56631	61171		82979	152154	60481		223564	40597	108316		119767	417299	23226	31896		52959	132364	128015	51522	241711	41230	31824	44788
pantothenate	2954617	3240051	2654282	2717426	2481139	2401507	2253727	1836732	2375255	2591313	2885479	2778514	2278233	1958503	1165029	1348413	1087160	1390290	2008033	1959895	1422845	1397465	1505224	1850383	1082915	1166994	622181	1083701	1454760	1316984	783903	1195118	961475	1136938	810469	1146396	751855	910199	1145540	695860	1499053	1358861	1281863	1119046	689138	1221853	990057
pelargonate (9:0)	64415	79408	63261	96692	59489	117681	60668	96850	115869	64633	59582	52656	49868	147485	92887	88804	103423	61984	55336	55044	50445	97600	110351	65154	75760	97496	55892	62840	79444	79045	50174	61806	73120	79791	104071	122759	58938	84301	87521	45646	108937	86738	79428	88734	98488	90510	105502
penicillin G					105860												267688												162766			76695	112595	919551	174151	266609	289452	266196	129631	769507	215399	288372	313561	816797	795173	360430	682941
pentadecanoate (15:0)	489065	145291	137929	283324	162057	317466	263678	1275048	164493	177573	220611	403935	260976	999397	259602	921556	159734	1382749	242117	196198	129429	472774	605535	117203	979630	1305479	355639	1295791	895173	1089132	559338	867076	458391	2268008	413261	377421	1409071	1084250	2562235	558158	689032	503448	756421	409589	317242	1200203	960780
phenol sulfate	6232	9716	15232	5925	13905	24492	10396	17856	74165		11376	19266	47407	22518	8270	14480	33890	18468		15738	6220	12507	21780	12230	97632	23514	46591	98717	12564	27179	11895	27870	23364	12609	9942	6729	37107	32864	46136	66780	68682	18677	84930	19475	19646	11978	59820
phenylacetylglutamine	36756	241346	85142	133386	281279	260281	334289	477675	3373704	26932	596223	466694	296705	758427	103381	942607	324592	752589	50560	251392	52963	410858	28772	30333	28614	917864	918448	1307935	201529	1139588	1229177	406591	74238	531459	51439	1019616	2659443	412910	786881	671828	892043	2402192	4710899	675809	887337	3474303	4067825
phenylalanine	27561190	23578554	22563744	23006272	34599328	15788126	27372996	21190610	23512622	28451280	26045642	34149360	27387350	13063846	21248632	27361200	33285254	26693868	27762856	21261190	17089904	21871112	19647196	14015867	19172556	25687056	17442706	27103672	22402686	30185780	20203264	21626688	22032170	31780860	14229358	13731243	15252024	24385184	22971942	9967984	14230469	20214796	15946403	25710982	20055072	20994946	22676960
phenylalanylhistidine	4879		4786	3974	5442		8750			5541	4286	9879	5541					16851	4106	9254			17035		6744	17629		13120		14120	27058	10569	8125	15534	10560		12228	18716	12391	5322	5192		7718	13599	6880	7006	
phenylalanylproline	53570	35647	80210	60890	77462	9314	53256		3505	42105	27100	34051	114219				7457	6023	54905	34266	23202			43287	2067	8440	2298	6447		8440	4539			5592	3914			5578	5370					4332		2170	2837
phenylalanylserine	43483		16704				23722		19072	39524		21733	30510	16742				55452	20886	23528		18564	51156	10096	29045	48897		22322		31420	56489	38219	29955	58457	32912	19035	51897	48516	66917	28774	25527			49576	26273	42149	26186
phenylcarnitine*	24972	17716	103906			15275	24382	36563		36247	21707	11368	16478	138204	314175	133044	187957	149324					293297	14947	229450	144516	66919	615939	556484	1217088	208633	230723	496698	86973	238005	162700	369117	532657	580324	1523289	166237	579124	241863	954652	129733	769230	89763
phosphate	595198144	450988448	372254528	466835552	439238144	599367232	586729728	695556032	530638624	362354592	461988032	581024384	472167360	767401856	365627424	650512384	390565280	556966016	444395072	448766528	443886656	747656704	448040832	317982048	680773248	635582272	598023744	715400000	619106880	657209920	616967424	580920192	518684608	606293568	595109312	640072768	487651680	636214976	618397952	538869184	732510848	644888640	657150336	596684672	570784384	583815296	695845056
phosphoenolpyruvate (PEP)	14549	44864	13195			76570	52622	145371	180133	10310	17543			130762	151894	38919	684922	5895	24163		57041	159415	482679		233990	190484	38808	109873	329364	167109	477713	121147	167109	130499	542126	962747	425449	192948	326661	299808	684771	168370	222111	465210	232760	111265	235617
phosphoethanolamine	2960629	4785900	2761851	2277915	1795995	2679247	2425114	18563134	5300569	2124002	734445	1400581	1054804	7066599	1695446	5457686	2116553	11830812	3114927	1799750	12264784	7997306	9343518	2486016	14441334	7461447	1682768	6946770	7152746	11397247	1359214	5289932	1811812	7938560	2700066	2934040	2271290	5507016	2604307	12323175	4791940	2720192	3569348	3579288	3251773	4870209	2797352
phosphopantetheine	24876		20324	22966	74227		64058	103630		64085	23418	98911	30312	64734	47075	38435	64799	44251	65738	60443		179764	27539		81681	160060	57207	61115		123978	102603	45288	65673	152912	116134	87256	32592	119446	86900	76814	173918	56638	102766	98764	59173	31372	105342
phytosphingosine			24333	23838	32603	80469	33408				21153	141648	47830	70911	27160	18926	91886		51086	63702		202118		37638	44605		37474				57243				42045	16210		29021			50220	64332		81715		38819	51164
pipecolate	175487	657927	294647	387105	230235	175161	189086	158841	358018	236772	157287	125545	126846	91264	74173	125117	55657	104120	121513	117607	140558	152104	63379	174444	228959	315753	165898	137337	239654	84319	185762	142533	278173	206368	254863	215675	66331	167452	202798	53520	189351	200713	91943	88721	170279	138065	155027
pivaloylcarnitine		37629	8861						18283	19456	13073			250139	25102	34903	64370	126829	23953			24530	172634		26583	140923	95231	68961	24770	146871	84827	21638	59614	49265	61567	61935	30694	67173	94737	75789	82487	34970	33418	159253	64539	90236	64256
pregn steroid monosulfate*	22110	290466	30117	35514	15439	18704			126170	31207		8784				5874		7610	14725	5914	92863	47590	6997	42096	26724	11243	4302		3689	12527	5865	14185	13811	19294		8166	5526		6012		4298	6010	6684			3990	32719
pregnen-diol disulfate*	3098	49564	9461	13316	3512	3830			56791	4754	2991	4373				6044		7064		4593	37783	21111		7414	6539	3596					1833	10661	9021			5771				5883		2864	4968	2029		1554	5771
pro-pro-pro	213937	120362	133379	135527	198979	67063	342282	282802	64899	210254	190988	302773	181272	160127	109629	297817	194416	447322	299103	215555	156634	196290	290926	58464	282894	736989	338070	566607	382489	486011		435773	292218	635171	395779	270423	306170	433748	466010	218501	392102	295014	348329	580112	464470	314940	505033
proline	7806018	13617835	10212118	11378863	12151560	8402155	9654920	9952947	9886802	9643791	9709945	12062147	7262564	10171401	13104375	12538116	19558352	7931118	8534741	6659969	6587542	9321405	8072981	7697151	8658836	14985147	9345738	8944860	9962880	9741368	6159090	7714819	9034246	11050268	7925247	9683983	5801317	10454108	10839760	6336138	13611961	10380648	6923562	12702041	7827780	9888758	9411909
prolylglycine	82811		77128		75978		68119	89768	61397	51519	56273	91545	22899	67058	57230	146014	178799	119252	52180	73884	54294	62640	212930	20235	74211	193161	123811	75789	124766	131646	100632	78590	125796	152770	134509	133612	112772	121260	137027	88493	139536	135893	89190	242565	138089	145962	115345
prolylproline	614849	447229	353568	387371	881800	220765	593548	137737	67579	312193	255660	680861	982690	228917	157457	189736	603061	434581	305782	383384	518609	378900	242167	208243	212231	880796	146348	182684		644109	311143	214731	351312	540791	252323	234509	308020	355891	305360	162733	342586	216437	259192	409930	397813	327389	519560
prolylthreonine	15383	19734	16569	32029	66919		11803		4404	12725	9930	25216	45475			3211	8035	8716	19317	6344	7988		8460	7485		4908	4027			3016	9554		5165	3997	5554	3653		3134						7515	4331	5656	3611
propionylcarnitine	1369590	1031280	1236323	1134759	401391	701043	895273	770564	1674552	725516	853969	705400	978630	1005000	1096067	1321322	126410	975708	1905303	616609	710331	147771	2302438	1034445	2159579	858237	2931655	13672684	2294629	1083309	4809000	1968552	9182837	1363765	2070493	1626284	3021825	2172121	2484324	4745710	2804882	3629594	2138943	2026344	3653758	3461884	2235272
pseudouridine	43759	123189	49070	52601	44493	54138	34096	22615	175317	40195	32247	35773	32657	25879	8930	23351	7029	12216	45190	35586	28436	26096	16987	42192	26728	16553	17203	20353	17313	23932	12151	13250	18501	20876	15247	14148	13007	11573	22884		10843	28984	21641	15706	10172	17590	23153
putrescine	4707191	5973380	1738334	1416132	1186512	718319	1569396	199226	5702568	990918	1513035	1600564	1481868	287349	1412599	3369185	2143461	786340	2479691	982962	1477668	193055	5269298	1048581	1780943	33304026	969009	2933413	853777	377992	1727875	597153	14892677	6500260	13370867	19040690	648786	2017099	1075747	517253	10243757	1665115	426248	1309070	15021669	777136	5831538
pyridoxal	40868	27315	47595	34898	44844	49827	60560	59476	43976	30706	31437	52032	20310	92249	60821	51581	75111	25877	47448	30078	25178	104101	31684	36450	46871	56581	54453	39873	63013	82331	29968	54814	55144	84186	53844	56425	67432	85264	52641	28367	52242	78764	63470	60859	65987	63122	81110
pyridoxate	183598	206288	170577	143361	145554	126883	132924	177050	157184	112639	235369	112764	135824	333961	85036	136230	143587	105267	99371	183534	51511	257752	165013	86639	167492	193013	123906	179707	172105	322785	131028	140338	109013	153932	117129	147584	108522	107080	168084	41314	114991	200341	175994	136115	113819	89255	207142
pyroglutamine*	69754	57670	103261	114911	85472	123197	255683	74309	173850	94103	51083	971150	214060	62489	234178	210381	51334	1239373	71401	137554	102448	57215	210462	377925	155584	970101	925785	186985	292995	129173	151781	159755	179998	771202	205718	209097	62347	205448	190188	200101	1547793	171922	87849	83751	216557	300078	208455
pyrophosphate (PPi)		688618		68800		280056		141093	394918					444913		30701	780190				823647	728774		21874		254653			858331			32493				211390						376247			12043		387252
raffinose			3999				5195	3812605			2990	21875	14377	5281506	732323	4260439	1058359	4868				5062311			2427833	3832855	2885008	1638583	2862670	3586483	3704340	3402128	2968538	3564175	3058892	3253870	4337453	3402128	2055351	6691083	3451614	3260510	4894077	4974098	5118426	3833580	5800713
ribitol	4172151	1897560	4256777	2600429	4132775	3622171	5194843	3009697	2022776	2877223	3894089	6399158	5377979	3022253	848484	1996420	1175173	2271621	1931249	4053156	3316468	2023812	4030455	2109027	2230976	5481043	3177824	6293005	1184178	7169351	5416471	2446518	3534696	4891311	2909481	2128341	4953015	4777411	2472304	3408946	4699253	2964275	4066726	3442217	3231756	4443490	4973550
riboflavin (Vitamin B2)	340666	504006	354349	561983	494726	341430	523493	173318	271029	441875	481302	776403	446437	237970	227214	177903	441251	182175	419606	322342	424146	310961	56416	227727	135916	247855	216988	130288	188568	231932	100704	178302	192401	164450	104108	165502	48299	169155	72396	86934	168893	190157	169967	237806	164458	136626	160257
ribonate	37504		22018			29763	74477	19806			18015	78285	35630	30783		35403	11201	16705	23010	28748	10322	47869	38064		21700	71682	24378			126356	68130	27521	49342	91224	24219	20330	41412	58703			64338		39379	45732		43378	64006
ribose	2183890	827135	1255661	1544237	1740037	1349820	2186879	3278338	373198	2775137	970596	2838994	1816274	3536823	1035502	2944229	1876694	3447430	2324083	2631210	395826	2240817	5540665	1150374	2365400	10474875	5983782	10444068	1978040	14699040	9291341	6001510	8468083	11941980	5259358	1760427	6516448	7627863	1649191	3513671	7143810	4932785	5697376	7489464	6039771	7128830	11335593
ribose 5-phosphate	120609	39763	63439	78343	91240	82391		105708	66071			134420	60225				68006	117636		52502	135127			68024		204578	130675	513630	72384	402494	674093	249564	530618	333004	224739		181549			134420		147570	188169	93502	277496	338595	242244
ribulose	38814	36537	33213	51729	61920	36209	69789	77831	26330	55431	33196	121330	50511	28660	18588	77364	73982	116455	90486	46271	84918	23201	292840	76762	44394	182759	408782	587343	64819	206891	221618	170285	279179	136968	130041	36841	126162	163945	128310	98685	117723	212825	104253	117639	117876	314106	366675
S-adenosylhomocysteine (SAH)	28832	7830	37230	18957	18445	22623	33453	77929	17403	24982	17491	24061	16672	77534	26240	64906	22662	37336	16451	22991	23062	38570	79100	5960	92227	115794	78795	163210	78704	116023	119772	106421	126334	111613	106562	75325	96827	105279	112761	82740	97069	81349	90459	127089	98375	168669	144908
S-adenosylmethionine (SAM)	112964	30482	93785	73534	70002	33100	51969		58779	30876	96782	60378	61466	45798	17850	70415			57434	65629	26274	50435	79708	40640	45290	39662	37065	110673	50885	52623	31413	52623	60470	75059	47599	138318	55638	75078	49908	28856	24790	46241		40071	100643	92712	44818
S-methylcysteine	229624	346985	369735	498224	356743	443075	748320	436032	439549	240190	368624	607975	466841	342335	349128	324731	133926	611522	248997	287512	395277	354601	328366	306272	419158	304794	336356	309648	714451	338112	589626	657447	215483	149743	954495	1307567	250080	615569	312991	465873	839931	240064	385776	301791	471223	181827	161200
sarcosine (N-Methylglycine)	701880	2322330	1184489	3217041	1166003	565340	1434603	408598	1112019	716089	568677	523031	1290100	547344	233663	428636	349732	504112	316328	666283	389498	712298	249043	1209791	1486272	516343	391688	1839437	647972	227832	2275134	1349084	309117	379085	864394	2586000	320024	919546	337229	655733	1288601	674044	643693	210359	707695	1028662	799957
scyllo-inositol	223918	270868	1032337	43021	316929	1093519	769541	1539659	253809	438886	169888	813427	744549	936494	1910450	1131560	497309	2769703	322360	613710	243974	2097461	1044253	643730	2439867	994253	412818	3924068	1607514	717470	1484044	1324504	1017190	671105	1724550	1132918	850050	665066	892950	485013	829909	742992	2490101	593074	803202	819683	1424885
sebacate (decanedioate)	10326		5284	5855	3365	3961	5864	5909	10385	6143	3571	4527	3690	9334	5988	3864	3568	7232	3094	5988	4860	4597	3820	3175	3974			13577	12380	5342	9621	4169	5392	4333	5859	6625	7417	5392	5521	3048	3894	4937	7952	3249		5394	6139
sedoheptulose-7-phosphate		7509			4318	14839		31102	6978			6634	8801	60977		13226	48222	4983			20470	29934	55894	2736	15960	55783	40980	98402	29537	54142	176588	66517	68697	28187	58174	184675	41040	40920	47396	36013	103902	127112	54532	31399	32153	57333	68661
serine	51090692	32895220	41591184	48921764	72723224	37515652	59319584	103358480	25241238	44305932	40821056	77074120	49416700	77835496	69502424	108474168	111198392	72360152	63159124	31219634	28369480	56102044	69327696	25574706	75823888	109336584	56246008	100707832	89830920	93011216	62175008	59073904	53683960	92903776	64304484	86650272	56762436	76832816	71004688	43770476	100230408	69621600	69198488	118370712	69243064	69372280	75097032
serylleucine	37161	39417	27033		48737	58855	44711			58535	25457	62748	66130					95823	56847	30124	59322	20011	44105	45104	20363	50631	45393	107609		88715	191168	40015		74119	63610	18005	75244	127237	108057	33316	29230		36845	63420	102189		
sorbitol	22257464	2406128	23565722	8764541	31915130	8106322	26054080	4950801	1339287	10463834	30093154	60961956	27724014	1363038	1343627	7017550	731029		11164148	25460814	10118543	1984227	6004026	5095330	10150274	5270585	9706957	6030860	2674837	6760713	7562366	7370840	6509893	5668874	7772390	6763722	2993999	8339723	5784721	2350376	9671733	5629161	4207286	4562210	2773127	5933423	7448069
spermidine	203504		325919	228638	235123	142776	197339	174710	333565	313921	197695	233748	250515	172240	133099	241587	422279	416792	299349	224979	408911	121639	442592	260558	243595	612456	329189	467687	294862	382259	522976	325934	410394	597852	456538	223840	306716	336703	352635	295048	241473	275626	221061	362402	404566	303033	464904
sphinganine	46780	23495	184959	124542	109167	159831	96166		282212	49062	193400	153336	195964	399107	89577	51756	132400	11716	154757	202655	387766	390832	48229	149590	149266	25359	93539		63655	102824	33880		98783		288696	95785	36022	63759		52767	340108	162296	59210	712008	115511	17265	70521
sphingosine	167382	46768	841352	1011866	1023529	1781771	912640	83874	2819993	201819	1663703	3057988	1367737	2995667	1393834	660323	1144757	34596	421847	1116703	838793	3415149	491636	802220	858617	177897	1916636	415012	861176	310663	412416	163517	617134	76962	2444355	1162063	126217	462240	114220	567325	1950800	1969704	549919	5260829	1353256	171907	1367784
stachydrine	78997	103846	87240	7442		61509	1519909		20869	38661		480201	886851	37732	166415	21965	54588	2617661	64810	145605	190458	104503	70295	49961		505153	96485	628174	40820	27873		48434		58510				73262			100007		51695	18473	117202		638011
stearate (18:0)	51112852	46744160	36798896	39317624	38215468	39053008	29681858	50387248	49346272	43129624	38048212	42785524	34842984	55493876	22243890	47605480	21731126	62185696	33860132	28279814	27289270	42143148	51630696	20306048	49158572	47959248	39847880	35962328	29889452	39427156	32975542	42325268	38422352	66739348	27793892	22376076	55458636	32327244	75124504	21136786	31227044	35739480	40318012	46392176	28578314	31327410	44381388
stearidonate (18:4n3)	110860	117943	67641	177184	188588	62635	103875	244146	56049	143739	187269	118649	88774	105544	79100	116486	50049	309274	172359	117406	46045	108682	1069937	45781	164756	744416	159829	569373	227041	317649	280250	366423	460331	2143212	337880	117433	580267	483451	7888902	301512	188124	182444	161654	255583	147931	291131	247180
stearoylcarnitine			118297	81321	60647	116410			400387				39957	149812	65994		122404		84546	32084	110465	142815	44965	101993	68245		59796	85682	40154		82674		68352		77891	119058	20663			81321	96904	98227		132644	41511	21227	60706
succinate	77604	85822	63942	103614	90833	92874	149536	116745	17431	53530	83059	90550	109384	130234	28409	148155	62682	1235519	41299	98357	324164	110171	166017	45695	188038	227876	152592	138065	115251	162518	625194	95363	306612	126360	97459	177418	142139	121826	135292	97737	137494	218830	179228	104421	81634	220856	156910
succinylcarnitine	159683	53380	190610	199022	230075	24491	432567	238609	67540	187185	209444	432130	474818	83355	256055	1032080	108835	1923993	226501	203597	76200	198654	234756	64714	1242932	1086293	1044922	296212	592064	628687	1446619	1160627	1160771	706096	891313	572374	373795	953786	756610	556578	657074	514327	1209948	683144	795885	688701	580238
tagatose	255682	45194	125200	111555	126184	59847	448169	753075	39179	233599	241590	263325	177808	197637	130492	606019	60805	629961	404671	215971	61993	130430	355400	42848	537643	717718	542425	607719	249174	681667	453689	439793	313212	909576	304187	709084	746337	523526	548134	295429	470985	429850	521787	387661	226132	608826	546662
taurochenodeoxycholate	1814784	1023907	334946	1236180	1957962	183679	1140638	541553	918700	2840707	1796318	795474	1473387	338372	934750	1304495	1951221	276352	2312808	3155811	770289	601125	979060	6033375	1300572	736304	213043	1372856	1061797	544818	2426373	136735	59603	1202469	271238	289398	1567296	3687642	813849	963547	392235	696752	1719188	599785	1331061	890111	363265
taurocholate	1878068	1641538	287971	1597423	3173347	167194	663461	441302	1087092	1674184	1554964	366044	1608111	349188	569036	1011805	1172192	235758	2894904	2631770	1251434	1512239	1006705	4505046	1212174	348983	113910	865132	1248165	407884	1159202	272793	17362	1105383	265196	385932	1221450	2019837	971154	803385	269064	415252	1161445	454197	1511611	457743	165155
taurocholenate sulfate*	44952	30872	23767	9610	13297			21979	80942	17231	34044	8099	18740			24494	13292	22875	20382	11776	27830	10965		102969	5215	37518	19846	12195	22022	21889	15019	7134	7823	69059	12696	12939	6033	29544		8318	38276	28790	25768	20217	11572		20589
taurodeoxycholate						55745	471240	228715			1714340	326441	84923	139386	313564	119650	359390	176042				285524			168193	219877	94185	584940	168747	159229	597674	70931		313004	51215	647327	471221		118534	653078	211311	285524	408910	222511	365274	584651	375388
taurolithocholate				4735		6929	10882	13573	5476		29117	11570	8387	5891	6272		32832	20888				12179				30668	12167	20949	11908	17261	32764		5734	55168	18547	66424	26165	10375	8121	18184	34858	39545	23209	8694	8845	23363	120594
taurolithocholate 3-sulfate	2814					6350	7406	11402			33838		6201			13130	32456							4993		8655	11687	36604	8045		23604			13180	27068	33134	10194		5079	5219	16879	20647	8527	16011	4574		37095
tauroursodeoxycholate	21737	12852	20963	144710	67622	5375	49401	13953	30000	8651	82798	24849	29399	7191	21002	17855	43830	6783	31994	359222	6895	19823	32241	11796	49001	31485	6172	23146	30045	13071	64757	26240		15789	6654	30765	64920	84035	13150	72169	4181	23679	150027	30744	61111	55343	6666
tetradecanedioate	6942	4992	5946	5570		26932	5461	110326	12170	4038	2153	9204	5065	77181	29839	20154	15867	18088	4896	7248		23204	53425	6207	24565	22183	9835	33007	25469	18156	21135	10844	14737	28100	17933	77170	32727	15727	39348	12742	28832	24767	27658	15203	3783	33002	46665
threitol	60905	62834	65541	59920	49006	30864	53452		909839	28098	60388	66560	152089						54357	51114	38766			42896	33602	51114		91000			29814		40658				34185		45746	39960							
threonine	1577173	1347920	1320131	1563232	2431780	1216388	1577246	1874827	811062	1758368	1547498	2199008	1598776	1596154	1342555	1977222	1770075	1596249	1938663	1536452	1545690	1014137	1578379	1122995	1168555	1865180	1153014	1561440	1619130	1314755	1348484	1795688	1114807	1540709	1435708	1855426	1164689	1944635	1630373	862543	1773228	1633161	1448754	1885831	1533845	1329003	1520347
thymine	199825	125802	86160	85321	95645	204279	165851	149168	113304	118768	147608	125800	146229	110753	161707	64654	176444	131372	178618	111411	83948	77505	94585	87831	134286	185109	116875	71940	136834	173324	56195	104695	60499	168181	42205	65530	139193	87431	83543	41794	58797	70328	132542	154200	109498	127490	117941
tiglyl carnitine	45065	27783	52949	32079	38930		45206	51066	50742	28994	60870	27863	88489	47349	114102	44296	72740	23827	30121	50904	24608		28905		92766	106018	28409	180446	61978	18738	21505	27653	72490	33766	18427	66822	46752	115863	66765	58783	54575	42808	60332	117896	62706	81804	63160
trans-4-hydroxyproline	2534929	3062679	2217317	4116034	3411276	1723110	1546255	570875	2924099	1586533	820719	1179637	1078469	605115	10774049	1618609	12039410	405611	3010555	848198	1273715	735715	1184678	2692296	1147856	1361057	532938	607624	742545	1005954	370454	530350	1027276	745124	1274723	1280162	443256	502255	1009689	543191	2603220	1079076	416229	1782426	903593	480207	692967
trans-urocanate								16986		40414	8762	25820	38992	49789		25447		423413			15492		707998						28363		30644				12980			12496	18903	16347	18116			35880	32737		
tricarballylate		133989	3227				4471	4561	1710				1646	8943		4252		3562				6455	4676			7901		23364		16191						13382	7828	4338	7525	4590		2915			5312	6062	72567
tryptophan	7454986	7491655	7707045	8097642	11961208	3430835	10375377	6923873	7670377	9051446	8842925	12197835	8822979	6866114	3564051	8477533	12973596	17331084	9160682	6476049	5105334	7198041	21415096	4893452	7011381	8605592	4953585	9102068	7426836	8887462	7460671	7168750	8984001	10032331	6286223	5908046	4928074	9507988	8159065	3852572	6833779	6344522	5980249	11089641	7113356	8076824	6465131
tryptophan betaine		26457						46542				111789	55448	430554	34474	52894	101281	65412			642326	277278		125751	77956	152421	256572	110598	121915	190604	310161	23543	215740	26297	65597	133521	25251	140844	135934	350836	110309	185802	226335	41348	167700		1460625
tyrosine	10651030	9234048	10506270	10734789	13940879	4066807	12676794	16064998	7386166	11444735	10954217	13903077	10609684	18242668	9352176	13073125	19620966	10478716	11344336	7909570	7777298	14703368	14246672	7170541	13564479	22502442	8882034	15416953	11032751	17617256	16526297	12883269	14284124	20210600	15717079	20871582	11987884	18560730	16156689	9803306	19109282	14170908	14045174	21121930	15853399	13908076	16076621
tyrosylglutamate	38891	26626	26381	34636	23100		22972	19587		37373	8620	32563	26261	22559	32810	21696	76109	65222	32144			23127	48959		33600	68843	22385	64103	24968	29833	69840	44203	66182	64187	47731	31911	47453	71450	59236	17369	26510	21660	29973	56458	44181	48081	48810
tyrosylglycine	114863	73223	123159	89022	226236		108203	47108	34984	104307	43732	123488	175381	17600	20044	82162		247906	112170	52081	68203	21813	126343	46883	48314	276886	81021	139636	44210	119492	252633	165346	177891	155496	82468	51971	103955	125515	152943	50968	51036	69603	76021	144725	142258	137102	182199
UDP-galactose															21631								127817			183112	790740	592297	332167	676003	492967	667367	522226	548567	303253	629832	522123	1051829	785957	780584	426740	556687	671346	757619	922216	1409721	836531
UDP-glucuronate		44668						47966		22480		51196		65428			53188						180666		66739	97607	70960	719176			365360	73388		68361	133441	146156	124718	42330	68259	83417	104710	183957			73388	175409	68622
undecanedioate	4858	3649	5743	5396		3350	11444	6928	4215	3145	4687	6573	5371	4376	7036	4117	5976	8354	3658	11693	5935	5768	5399		4561		4531	10812	8622	11219	14919	7706	10554	7881	8812	10632	9029	11660	10586	5107	5114	5755	7775	4697	5295	2710	5111
undecanoate (11:0)		40392		36450	25122	26094	27944	19402	26273	20094	27347	32349	9586	41582	27351	21721	28582	16855	20189		12210	15861	31362	30647	23440	11950	28985	31189		26789		18895	33446	90983	31344	25122	18140	23386	41247	16657	26106	26119	15626	22327	35005	12415	22650
uracil	8558185	4263842	10387752	1975263	5578381	8112559	9293048	8134276	9619558	5450222	10660769	10437142	7129122	7264411	13302086	8493506	7361694	4763144	6118269	8318779	976206	11265245	4726004	4133214	12235402	11038324	6194925	8314328	12870909	6291211	4991851	6161837	5320076	5708195	5383104	5944451	5131506	6633486	6077599	3352080	5575862	6214554	4569316	9618103	4566070	3918642	6969542
urate	853215	852938	1001073	940488	570895	972160	797303	128019	962604	817331	1000173	822818	666004	134364	9449	101249	79944	580853	821010	728088	844759	254668	297310	720772	224636	121838	33981	76287	85149	92865	57757	92695	92980	98359	66823	39040	36815	59210	59541	62256	66959	59085	116092	41526	103566	69542	166711
urea	2305737	4726352	4071147	4219456	2789585	2357051	6505935	2643631	21370788	2359754	3270371	5648575	3433759	2586167	2681453	5861285	3019140	2266771	3241551	3059445	1370036	3878047	1915855	1793481	4875607	3645995	1755578	6189350	3674188	2355964	2134014	2154865	1388508	4196349	2308875	2436246	1142099	1924611	2564435	1740948	2201097	2142662	1766445	3223520	1945231	1987704	2326274
uridine	348174	234166	343525	234441	433257	367175	609720	1069476	160461	395591	366527	459354	315101	1402512	497767	611272	482790	575969	514398	510706	433247	817870	984313	142926	937710	926003	1224374	1319976	982880	1361997	1163707	1056835	1069347	1256362	1522705	1551247	967453	1267466	1464284	906784	1776223	1206616	918490	883684	1208126	1110477	1193440
valerylcarnitine	10346	15661				20046	23669		41261	12965	24752	19803	26303	32914	23175			72635	24069	20775			60656		18265	36816	32991	607722	145691	38360	351486	164498	479028	25490	57426	218325	71547	66066	215052	123605		60145	33057	57599	44740	55863	32119
valine	18206620	16384111	18975580	18835404	22959472	12336755	20779306	20656718	14266112	17544494	17727442	26009388	17940888	16301414	18050388	20761872	28345992	15571003	18844122	14554014	11783332	15646306	13964124	11528587	17241936	25039344	13059122	20717448	17442898	18984932	17636944	16574741	15115928	19656426	15762645	15956229	12552520	20314278	18064144	8533676	18978688	17507584	15625959	23885436	16257142	17634992	18581822
valylglycine	86979		88492	67828	116079		105604	36711		113974	61650	180654	121748				42708	120440	226828	66939	76576	33395	74463	34115	75746	193521	34726	114799	64617	137715	240929	194703	174775	164693	118392	108370	110205	135886	122565	69026	56667	33184	81971	121967	93145	99174	129147
vecuronium		1387523		50463										4857898		295904	508238	476616					86991		27314	2119509		1729961	329013		714323	622805		902943		51300	668564	652708			1026160	7033343	117516	3854966	6615070		
VGAHAGEYGAEALER*	95463	821448	113354	259238	623474	115977	217315		45507	160753	90798	103821	974824		18705	30759	63995	12430	169686	121189	217178		6723	1245040	15755	10608		25701			27649		7641			8344		8080				14481	12202	7293			
xanthine	4377410	2051294	5024455	3481330	3866827	3677295	4655920	5490291	5366153	4642153	4617820	6560758	5266138	4807389	1414463	3566635	2175342	3701245	3183750	4272662	4458435	3510791	2671706	2331516	1899713	3344187	2560441	2650201	2332806	3460442	2787338	3021427	2585632	2457704	2246544	2105711	1778315	2975536	2433520	2134685	2789001	3744402	2769597	3276256	2630093	2746978	3109467
xanthosine	180124	107257	174102	126678	171453	141860	381953	231411	158509	198607	209440	397016	201152	114845	98437	194625	119170	417790	174105	242666	229522	127919	274352	140894	146626	95195	109001	117443	64319	121768	95350	76128	54621	55052	87742	75441	50487	73122	89218	55495	95750	172095	97325	73756	86674	88948	85827
xylitol	1050722	246792	1494897	544170	1445983	1053214	2089339	1613799	490358	837845	1256359	2746781	1709313	1417343	1350948	900256	377597	3015101	807455	1300989	719200	305740	2976566	477532	1395600	1336249	1801360	3765446	990758	2418956	2393454	1466257	1083397	1252789	1829349	1753199	2331531	1988842	3278392	1237369	2726399	1507033	1571261	1287298	1888107	1897675	2271766
xylonate	960282	1551415	1166965	919982	972314	1559270	1059459	541771	728048	480465	554155	1910993	1442360	887391	326158	401041	685203	318285	577566	978408	270795	856889	335252	786294	420563	723695	307165	428711	180595	641085	335326	223588	298411	587383	225147	332643	236372	395168	558951	274067	876925	471182	311244	355508	380965	380769	614133
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	KEGG	HMDB	Standardized.name	In.RefMet	Formula	Exact.mass	Super.class	Main.class	Sub.class
1-arachidonoylglycerophosphocholine (20:4n6)*			LPC(20:4)	Yes	C28H50NO7P	543.3325	Glycerophospholipids	Glycerophosphocholines	LPC
1-arachidonoylglycerophosphoethanolamine*			LPE(20:4)	Yes	C25H44NO7P	501.2855	Glycerophospholipids	Glycerophosphoethanolamines	LPE
1-arachidonoylglycerophosphoinositol*			LPI(20:4)	Yes	C29H49O12P	620.2962	Glycerophospholipids	Glycerophosphoinositols	LPI
1-docosahexaenoylglycerophosphocholine (22:6n3)*			LPC(22:6)	Yes	C30H50NO7P	567.3325	Glycerophospholipids	Glycerophosphocholines	LPC
1-eicosatrienoylglycerophosphocholine (20:3)*			LPC(20:3)	Yes	C28H52NO7P	545.3481	Glycerophospholipids	Glycerophosphocholines	LPC
1-linoleoylglycerophosphocholine (18:2n6)			LPC(18:2)	Yes	C26H50NO7P	519.3325	Glycerophospholipids	Glycerophosphocholines	LPC
1-linoleoylglycerophosphoethanolamine*			LPE(18:2)	Yes	C23H44NO7P	477.2855	Glycerophospholipids	Glycerophosphoethanolamines	LPE
1-linoleoylglycerophosphoinositol*			LPI(18:2)	Yes	C27H49O12P	596.2962	Glycerophospholipids	Glycerophosphoinositols	LPI
1-linoleoylglycerophosphoserine*			LPS(18:2)	Yes	C24H44NO9P	521.2754	Glycerophospholipids	Glycerophosphoserines	LPS
1-margaroylglycerophosphocholine (17:0)			LPC(17:0)	Yes	C25H52NO7P	509.3481	Glycerophospholipids	Glycerophosphocholines	LPC
1-margaroylglycerophosphoethanolamine*			LPE(17:0)	Yes	C22H46NO7P	467.3012	Glycerophospholipids	Glycerophosphoethanolamines	LPE
1-methylimidazoleacetate	C05828	HMDB0002820	Methylimidazoleacetic acid	Yes	C6H8N2O2	140.0586	Organoheterocyclic compounds	Imidazoles	Imidazolyl carboxylic acids
1-myristoylglycerophosphocholine (14:0)			LPC(14:0)	Yes	C22H46NO7P	467.3012	Glycerophospholipids	Glycerophosphocholines	LPC
1-oleoylglycerol (1-monoolein)			MG(18:1)	Yes	C21H40O4	356.2927	Glycerolipids	Monoradylglycerols	MAG
1-oleoylglycerophosphocholine (18:1)			LPC(18:1)	Yes	C26H52NO7P	521.3481	Glycerophospholipids	Glycerophosphocholines	LPC
1-oleoylglycerophosphoethanolamine			LPE(18:1)	Yes	C23H46NO7P	479.3012	Glycerophospholipids	Glycerophosphoethanolamines	LPE
1-oleoylglycerophosphoinositol*			LPI(18:1)	Yes	C27H51O12P	598.3118	Glycerophospholipids	Glycerophosphoinositols	LPI
1-palmitoleoylglycerophosphocholine (16:1)*			LPC(16:1)	Yes	C24H48NO7P	493.3168	Glycerophospholipids	Glycerophosphocholines	LPC
1-palmitoylglycerol (1-monopalmitin)			MG(16:0/0:0/0:0)	Yes	C19H38O4	330.277	Glycerolipids	Monoradylglycerols	MAG
1-palmitoylglycerophosphocholine (16:0)			LPC(16:0)	Yes	C24H50NO7P	495.3325	Glycerophospholipids	Glycerophosphocholines	LPC
1-palmitoylglycerophosphoethanolamine			LPE(16:0)	Yes	C21H44NO7P	453.2855	Glycerophospholipids	Glycerophosphoethanolamines	LPE
1-palmitoylglycerophosphoglycerol*			LPG(16:0)	Yes	C22H45O9P	484.2801	Glycerophospholipids	Glycerophosphoglycerols	LPG
1-palmitoylglycerophosphoinositol*			LPI(16:0)	Yes	C25H49O12P	572.2962	Glycerophospholipids	Glycerophosphoinositols	LPI
1-stearoylglycerol (1-monostearin)			MG(18:0/0:0/0:0)	Yes	C21H42O4	358.3083	Glycerolipids	Monoradylglycerols	MAG
1-stearoylglycerophosphocholine (18:0)			LPC(18:0)	Yes	C26H54NO7P	523.3638	Glycerophospholipids	Glycerophosphocholines	LPC
1-stearoylglycerophosphoethanolamine			LPE(18:0)	Yes	C23H48NO7P	481.3168	Glycerophospholipids	Glycerophosphoethanolamines	LPE
1-stearoylglycerophosphoglycerol			LPG(18:0)	Yes	C18H34O	266.261	Glycerophospholipids	Glycerophosphoglycerols	LPG
1-stearoylglycerophosphoinositol			LPI(18:0)	Yes	C27H53O12P	600.3275	Glycerophospholipids	Glycerophosphoinositols	LPI
1-stearoylglycerophosphoserine*			LPS(18:0)	Yes	C24H48NO9P	525.3067	Glycerophospholipids	Glycerophosphoserines	LPS
1,2-propanediol			1,2-Propanediol	Yes	C3H8O2	76.0944	Fatty Acyls	Fatty alcohols	Fatty alcohols
1,5-anhydroglucitol (1,5-AG)	C07326	HMDB0002712	1,5-Anhydrosorbitol	Yes	C6H12O5	164.0685	Carbohydrates	Monosaccharides	Monosaccharides
10-heptadecenoate (17:1n7)			10Z-Heptadecenoic acid	Yes	C17H32O2	268.2402	Fatty Acyls	Fatty acids	Unsaturated FA
10-nonadecenoate (19:1n9)	C00174	HMDB0013622	Nonadeca-10Z-enoic acid	Yes	C19H36O2	296.2715	Fatty Acyls	Fatty acids	Unsaturated FA
13-HODE + 9-HODE			-	No
13-methylmyristic acid			Isopentadecylic acid	Yes	C15H30O2	242.2246	Fatty Acyls	Fatty acids	Branched FA
15-methylpalmitate (isobar with 2-methylpalmitate)			15-Methyl palmitic acid	Yes	C17H34O2	270.2559	Fatty Acyls	Fatty acids	Branched FA
2-aminoadipate	C00956	HMDB0000510	Aminoadipic acid	Yes	C6H11NO4	161.0688	Organic acids	Organic dicarboxylic acids	Organic dicarboxylic acids
2-aminobutyrate	C02261	HMDB0000650	2-Aminobutyric acid	Yes	C4H9NO2	103.0633	Fatty Acyls	Fatty acids	Amino FA
2-arachidonoylglycerophosphocholine*			LPC(20:4)	Yes	C28H50NO7P	543.3325	Glycerophospholipids	Glycerophosphocholines	LPC
2-arachidonoylglycerophosphoethanolamine*			LPE(20:4)	Yes	C25H44NO7P	501.2855	Glycerophospholipids	Glycerophosphoethanolamines	LPE
2-arachidonoylglycerophosphoinositol*			LPI(20:4)	Yes	C29H49O12P	620.2962	Glycerophospholipids	Glycerophosphoinositols	LPI
2-docosahexaenoylglycerophosphocholine*			LPC(22:6)	Yes	C30H50NO7P	567.3325	Glycerophospholipids	Glycerophosphocholines	LPC
2-docosahexaenoylglycerophosphoethanolamine*			LPE(22:6)	Yes	C27H44NO7P	525.2855	Glycerophospholipids	Glycerophosphoethanolamines	LPE
2-docosapentaenoylglycerophosphoethanolamine*			-	No
2-ethylhexanoate (isobar with 2-propylpentanoate)			-	No
2-hydroxybutyrate (AHB)			-	No
2-hydroxyglutarate			2-Hydroxyglutaric acid	Yes	C5H8O5	148.0372	Fatty Acyls	Fatty acids	Hydroxy FA
2-hydroxypalmitate		HMDB0031057	2-Hydroxy palmitic acid	Yes	C16H32O3	272.2351	Fatty Acyls	Fatty acids	Hydroxy FA
2-hydroxystearate			2-Hydroxystearic acid	Yes	C18H36O3	300.2664	Fatty Acyls	Fatty acids	Hydroxy FA
2-linolenoylglycerophosphocholine(18:3n3)*			LPC(18:3)	Yes	C26H48NO7P	517.3168	Glycerophospholipids	Glycerophosphocholines	LPC
2-linoleoylglycerophosphocholine*			LPC(18:2)	Yes	C26H50NO7P	519.3325	Glycerophospholipids	Glycerophosphocholines	LPC
2-linoleoylglycerophosphoethanolamine*			LPE(18:2)	Yes	C23H44NO7P	477.2855	Glycerophospholipids	Glycerophosphoethanolamines	LPE
2-methylbutyrylcarnitine (C5)		HMDB0000378	CAR(4:0(2Me))	Yes	C12H23NO4	245.1627	Fatty Acyls	Fatty esters	Short-chain acyl carnitines
2-methylmalonyl carnitine		HMDB0013133	CAR(DC3:0(2Me))	Yes	C11H19NO6	261.1212	Fatty Acyls	Fatty esters	Short-chain acyl carnitines
2-oleoylglycerol (2-monoolein)			MG(18:1)	Yes	C21H40O4	356.2927	Glycerolipids	Monoradylglycerols	MAG
2-oleoylglycerophosphocholine*			LPC(18:1)	Yes	C26H52NO7P	521.3481	Glycerophospholipids	Glycerophosphocholines	LPC
2-oleoylglycerophosphoethanolamine*			LPE(18:1)	Yes	C23H46NO7P	479.3012	Glycerophospholipids	Glycerophosphoethanolamines	LPE
2-palmitoleoylglycerophosphocholine*			LPC(16:1)	Yes	C24H48NO7P	493.3168	Glycerophospholipids	Glycerophosphocholines	LPC
2-palmitoylglycerol (2-monopalmitin)			MG(0:0/16:0/0:0)	Yes	C19H38O4	330.277	Glycerolipids	Monoradylglycerols	MAG
2-palmitoylglycerophosphocholine*			LPC(16:0)	Yes	C24H50NO7P	495.3325	Glycerophospholipids	Glycerophosphocholines	LPC
2-palmitoylglycerophosphoethanolamine*			LPE(16:0)	Yes	C21H44NO7P	453.2855	Glycerophospholipids	Glycerophosphoethanolamines	LPE
2-phosphoglycerate	C00631	HMDB0003391	2-Phosphoglyceric acid	Yes	C3H7O7P	185.9929	Organic acids	Short-chain acids and derivatives	Short-chain acids and derivatives
2-stearoylglycerophosphoethanolamine*			LPE(18:0)	Yes	C23H48NO7P	481.3168	Glycerophospholipids	Glycerophosphoethanolamines	LPE
2-stearoylglycerophosphoinositol*			LPI(18:0)	Yes	C27H53O12P	600.3275	Glycerophospholipids	Glycerophosphoinositols	LPI
2'-deoxyadenosine 3'-monophosphate
2'-deoxyguanosine	C00330	HMDB0000085
2'-deoxyinosine	C05512	HMDB0000071
3-(4-hydroxyphenyl)lactate	C03672	HMDB0000755
3-(cystein-S-yl)acetaminophen*
3-(N-acetyl-L-cystein-S-yl) acetaminophen*
3-aminoisobutyrate	C05145	HMDB0003911
3-dehydrocarnitine*
3-hydroxybutyrate (BHBA)	C01089	HMDB0000011
3-methoxytyramine sulfate
3-methyl-2-oxobutyrate	C00141	HMDB0000019
3-methyl-2-oxovalerate	C03465	HMDB0000491
3-methylglutarylcarnitine (C6)
3-phosphoglycerate	C00597	HMDB0000807
3'-dephosphocoenzyme A	C00882	HMDB0001373
4-acetaminophen sulfate
4-guanidinobutanoate	C01035	HMDB0003464
4-hydroxybutyrate (GHB)	C00989	HMDB0015507
4-hydroxyhippurate		HMDB0013678
4-hydroxyphenylpyruvate	C01179	HMDB0000707
4-methyl-2-oxopentanoate	C00233	HMDB0000695
5-aminovalerate
5-methyltetrahydrofolate (5MeTHF)	C00440	HMDB0001396
5-oxoproline	C01879	HMDB0000267
5,15-DiHETE
6-phosphogluconate	C00345	HMDB0001316
6'-sialyllactose
7-alpha-hydroxycholesterol			7alpha-Hydroxy-cholesterol	Yes	C27H46O2	402.3498	Sterol Lipids	Sterols	Oxysterols
7-beta-hydroxycholesterol			7beta-Hydroxycholesterol	Yes	C27H46O2	402.3498	Sterol Lipids	Sterols	Oxysterols
Ac-Ser-Asp-Lys-Pro-OH			-	No
acetylcarnitine	C02571	HMDB0000201	CAR(2:0)	Yes	C9H17NO4	203.1158	Fatty Acyls	Fatty esters	Short-chain acyl carnitines
acisoga			Acisoga	Yes	C9H16N2O2	184.1212	Organoheterocyclic compounds	N-alkylpyrrolidines	N-alkylpyrrolidines
adenine	C00147	HMDB0000034	Adenine	Yes	C5H5N5	135.0545	Nucleic acids	Purines	6-aminopurines
adenosine	C00212	HMDB0000050	Adenosine	Yes	C10H13N5O4	267.0968	Nucleic acids	Purines	Purine ribonucleosides
adenosine 2'-monophosphate (2'-AMP)	C00946	HMDB0011617
adenosine 3'-monophosphate (3'-AMP)	C01367	HMDB0003540
adenosine 5'-monophosphate (AMP)	C00020	HMDB0000045
adenylosuccinate	C03794	HMDB0000536
adipate	C06104	HMDB0000448
adrenate (22:4n6)	C16527	HMDB0002226
alanine	C00041	HMDB0000161
alanylglycine
alanylleucine
alpha-hydroxyisovalerate		HMDB0000407
alpha-tocopherol	C02477	HMDB0001893
amitriptyline
andro steroid monosulfate 1*
arabitol
arabonate
arachidonate (20:4n6)	C00219	HMDB0001043
arginine	C00062	HMDB0000517
ascorbate (Vitamin C)	C00072	HMDB0000044
asparagine	C00152	HMDB0000168
asparagylleucine
aspartate	C00049	HMDB0000191
aspartylleucine
aspartylphenylalanine
aspartylvaline
azelate (nonanedioate)	C08261	HMDB0000784
benzoate	C00180	HMDB0001870
beta-alanine	C00099	HMDB0000056
betaine	C00719	HMDB0000043
bilirubin (Z,Z)	C00486	HMDB0000054
biliverdin	C00500	HMDB0001008
biopterin	C06313	HMDB0000468
butyrylcarnitine	C02862	HMDB0002013
C-glycosyltryptophan*
caprate (10:0)	C01571	HMDB0000511
caproate (6:0)
caprylate (8:0)
carnitine	C00318	HMDB0000062
catechol sulfate	C00090	HMDB0000957
chenodeoxycholate	C02528	HMDB0000518
cholate	C00695	HMDB0000619
cholesterol	C00187	HMDB0000067
choline	C00114	HMDB0000097
choline phosphate	C00588	HMDB0001565
cis-vaccenate (18:1n7)
citrate	C00158	HMDB0000094
citrulline	C00327	HMDB0000904
coenzyme A
creatine	C00300	HMDB0000064
creatinine	C00791	HMDB0000562
cysteine	C00097	HMDB0000574
cysteine-glutathione disulfide
cystine	C00491	HMDB0000192
cytidine 5'-diphosphocholine	C00307	HMDB0001413
cytidine-3'-monophosphate (3'-CMP)
dehydroisoandrosterone sulfate (DHEA-S)	C04555	HMDB0001032	Dehydroepiandrosterone sulfate	Yes	C19H28O5S	368.1657	Sterol Lipids	Steroid conjugates	Steroid sulfates
deoxycarnitine	C01181	HMDB0001161	3-Dehydroxycarnitine	Yes	C7H15NO2	145.1103	Fatty Acyls	Fatty esters	Short-chain acyl carnitines
dexamethasone			Dexamethasone	Yes	C22H29FO5	392.1999	Sterol Lipids	Steroids	C21 steroids
dihomo-linoleate (20:2n6)	C16525	HMDB0005060	Eicosadienoic acid	Yes	C20H36O2	308.2715	Fatty Acyls	Fatty acids	Unsaturated FA
dihomo-linolenate (20:3n3 or n6)	C03242	HMDB0002925	-	No
dihydrobiopterin	C00268	HMDB0002215	4a-Carbinolamine tetrahydrobiopterin	Yes	C9H13N5O3	239.1018	Organoheterocyclic compounds	Pterins	Biopterins
dimethylarginine (SDMA + ADMA)	C03626	HMDB0001539	Dimethylarginine	Yes	C8H18N4O2	202.143	Organic acids	Amino acids and peptides	Amino acids
dimethylglycine	C01026	HMDB0000092	Dimethylglycine	Yes	C4H9NO2	103.0633	Organic acids	Amino acids and peptides	Amino acids
docosadienoate (22:2n6)			13Z,16Z-Docosadienoic acid	Yes	C22H40O2	336.3028	Fatty Acyls	Fatty acids	Unsaturated FA
docosahexaenoate (DHA; 22:6n3)	C06429	HMDB0002183	DHA	Yes	C22H32O2	328.2402	Fatty Acyls	Fatty acids	Unsaturated FA
docosapentaenoate (n3 DPA; 22:5n3)	C16513	HMDB0006528	DPA	Yes	C22H34O2	330.2559	Fatty Acyls	Fatty acids	Unsaturated FA
docosapentaenoate (n6 DPA; 22:5n6)	C16513	HMDB0006528	Docosapentaenoic acid (22n-6)	Yes	C22H34O2	330.2559	Fatty Acyls	Fatty acids	Unsaturated FA
docosatrienoate (22:3n3)			Docosatrienoic acid	Yes	C22H38O2	334.2872	Fatty Acyls	Fatty acids	Unsaturated FA
dodecanedioate	C02678	HMDB0000623	Dodecanedioic acid	Yes	C12H22O4	230.1518	Fatty Acyls	Fatty acids	Dicarboxylic acids
eicosapentaenoate (EPA; 20:5n3)	C06428	HMDB0001999	EPA	Yes	C20H30O2	302.2246	Fatty Acyls	Fatty acids	Unsaturated FA
eicosenoate (20:1n9 or 11)			cs-Gondoic acid	Yes	C20H38O2	310.2872	Fatty Acyls	Fatty acids	Unsaturated FA
ergothioneine	C05570	HMDB0003045	Ergothioneine	Yes	C9H15N3O2S	229.0885	Organic acids	Amino acids and peptides	Amino acids
erythritol			Erythritol	Yes	C4H10O4	122.0579	Carbohydrates	Monosaccharides	Sugar alcohols
erythronate*		HMDB0000613	Erythronic acid	Yes	C4H8O5	136.0372	Carbohydrates	Monosaccharides	Sugar acids
ethanolamine	C00189	HMDB0000149	Ethanolamine	Yes	C2H7NO	61.0528	Organic nitrogen compounds	Alkanolamines	1,2-aminoalcohols
flavin adenine dinucleotide (FAD)	C00016	HMDB0001248	FAD	Yes	C27H33N9O15P2	785.1571	Nucleic acids	Flavins	Flavin nucleotides
flavin mononucleotide (FMN)	C00061	HMDB0001520	FMN	Yes	C17H21N4O9P	456.1046	Nucleic acids	Flavins	Flavin nucleotides
fructose			Fructose	Yes	C6H12O6	180.0634	Carbohydrates	Monosaccharides	Monosaccharides
fucose			D-Fucose	Yes	C6H12O5	164.0685	Carbohydrates	Monosaccharides	Monosaccharides
fumarate	C00122	HMDB0000134	Fumaric acid	Yes	C4H4O4	116.011	Organic acids	TCA acids	TCA acids
furosemide	C07017	HMDB0001933	Furosemide	Yes	C12H11ClN2O5S	330.0077	Benzenoids	Benzenes	Benzenesulfonyl compounds
galactose			Galactose	Yes	C6H12O6	180.0634	Carbohydrates	Monosaccharides	Monosaccharides
galacturonate			Galacturonic acid	Yes	C6H10O7	194.0427	Carbohydrates	Monosaccharides	Sugar acids
gamma-aminobutyrate (GABA)	C00334	HMDB0000112	gamma-Aminobutyric acid	Yes	C4H9NO2	103.0633	Fatty Acyls	Fatty acids	Amino FA
gamma-glutamyl-2-aminobutyrate			gamma-Glutamyl-2-aminobutyrate	Yes	C9H16N2O5	232.1059	Organic acids	Amino acids, peptides, and analogues	Dipeptides
gamma-glutamylalanine	C03740	HMDB0006248	Gamma-Glutamylalanine	Yes	C8H14N2O5	218.0903	Organic acids	Amino acids and peptides	Dipeptides
gamma-glutamylglutamate	C05282	HMDB11737	gamma-Glutamylglutamic acid	Yes	C10H16N2O7	276.0958	Organic acids	Amino acids and peptides	Dipeptides
gamma-glutamylglutamine	C05283	HMDB0011738	gamma-Glutamylglutamine	Yes	C10H17N3O6	275.1117	Organic acids	Amino acids and peptides	Dipeptides
gamma-glutamylisoleucine*		HMDB11170	gamma-Glutamylisoleucine	Yes	C11H20N2O5	260.1372	Organic acids	Amino acids and peptides	Dipeptides
gamma-glutamylleucine		HMDB0011171	gamma-Glutamylleucine	Yes	C11H20N2O5	260.1372	Organic acids	Amino acids and peptides	Dipeptides
gamma-glutamylmethionine		HMDB0034367	gamma-Glutamylmethionine	Yes	C10H18N2O5S	278.0936	Organic acids	Amino acids and peptides	Peptides
gamma-glutamylphenylalanine		HMDB0000594	gamma-Glutamylphenylalanine	Yes	C14H18N2O5	294.1216	Organic acids	Amino acids and peptides	Dipeptides
gamma-glutamylthreonine*			-	No
gamma-glutamyltyrosine		HMDB0011741	gamma-Glutamyltyrosine	Yes	C14H18N2O6	310.1165	Organic acids	Amino acids and peptides	Dipeptides
gamma-glutamylvaline		HMDB0011172	gamma-Glutamylvaline	Yes	C10H18N2O5	246.1216	Organic acids	Amino acids and peptides	Dipeptides
gamma-tocopherol			gamma-Tocopherol	Yes	C28H48O2	416.3654	Prenol Lipids	Quinones and hydroquinones	Vitamin E
glucarate (saccharate)	C00818	HMDB0000663	Glucaric acid	Yes	C6H10O8	210.0376	Organic acids	Organic dicarboxylic acids	Organic dicarboxylic acids
gluconate	C00257	HMDB0000625	Gluconic acid	Yes	C6H12O7	196.0583	Carbohydrates	Monosaccharides	Sugar acids
glucono-gamma-lactone			-	No
glucosamine			Glucosamine	Yes	C6H13NO5	179.0794	Carbohydrates	Aminosaccharides	Amino sugars
glucose	C00267	HMDB0003345	Glucose	Yes	C6H12O6	180.0634	Carbohydrates	Monosaccharides	Monosaccharides
glucose-6-phosphate (G6P)			Glucose 6-phosphate	Yes	C6H13O9P	260.0297	Carbohydrates	Monosaccharides	Monosaccharide phosphates
glutamate	C00025	HMDB0000148	Glutamic acid	Yes	C5H9NO4	147.0532	Organic acids	Amino acids and peptides	Amino acids
glutamate, gamma-methyl ester			-	No
glutamine	C00064	HMDB0000641	Glutamine	Yes	C5H10N2O3	146.0691	Organic acids	Amino acids and peptides	Amino acids
glutarate (pentanedioate)	C00489	HMDB0000661	Glutaric acid	Yes	C5H8O4	132.0423	Fatty Acyls	Fatty acids	Dicarboxylic acids
glutarylcarnitine (C5)			CAR(5:0)	Yes	C12H23NO4	245.1627	Fatty Acyls	Fatty esters	Short-chain acyl carnitines
glutathione, oxidized (GSSG)	C00127	HMDB0003337	Oxidized glutathione	Yes	C20H32N6O12S2	612.152	Organic acids	Amino acids and peptides	Peptides
glutathione, reduced (GSH)	C00051	HMDB0000125	Glutathione	Yes	C10H17N3O6S	307.0838	Organic acids	Amino acids and peptides	Peptides
glycerate		HMDB0031818	Glyceric acid	Yes	C3H6O4	106.0266	Carbohydrates	Monosaccharides	Sugar acids
glycerol	C00116	HMDB0000131	Glycerol	Yes	C3H8O3	92.0473	Carbohydrates	Monosaccharides	Sugar alcohols
glycerol 2-phosphate	C02979	HMDB0002520	sn-Glycero-2-phosphate	Yes	C3H9O6P	172.0137	Organic acids	Phosphate esters	Monoalkyl phosphates
glycerol 3-phosphate (G3P)			sn-Glycero-3-phosphate	Yes	C3H9O6P	172.0137	Organic acids	Organic phosphoric acids	Organic phosphoric acids
glycerophosphoethanolamine	C01233	HMDB0000114	sn-Glycero-3-phosphoethanolamine	Yes	C5H14NO6P	215.0559	Organic acids	Organic phosphoric acids	Organic phosphoric acids
glycerophosphorylcholine (GPC)	C00670	HMDB0000086	sn-Glycero-3-phosphocholine	Yes	C8H20NO6P	257.1028	Organic acids	Organic phosphoric acids	Organic phosphoric acids
glycine	C00037	HMDB0000123	Glycine	Yes	C2H5NO2	75.032	Organic acids	Amino acids and peptides	Amino acids
glycochenodeoxycholate	C05466	HMDB0000637	Glycochenodeoxycholic acid	Yes	C26H43NO5	449.3141	Sterol Lipids	Bile acids	C24 bile acids
glycocholate	C01921	HMDB0000138	Glycocholic acid	Yes	C26H43NO6	465.309	Sterol Lipids	Bile acids	C24 bile acids
glycocholenate sulfate*			Glycocholenate sulfate	Yes	C26H41NO9S	543.2502	Sterol Lipids	Bile acids	C24 bile acids
glycodeoxycholate	C05464	HMDB0000631	Glycodeoxycholic acid	Yes	C26H43NO5	449.3141	Sterol Lipids	Bile acids	C24 bile acids
glycolithocholate sulfate*	C11301	HMDB0002639	Sulfolithocholylglycine	Yes	C26H43NO7S	513.276	Sterol Lipids	Bile acids	C24 bile acids
glycoursodeoxycholate		HMDB0000708	Glycoursodeoxycholic acid	Yes	C26H43NO5	449.3141	Sterol Lipids	Bile acids	C24 bile acids
glycylisoleucine			Gly-Ile	Yes	C8H16N2O3	188.1161	Organic acids	Amino acids and peptides	Dipeptides
glycylleucine	C02155	HMDB0000759	Gly-Leu	Yes	C8H16N2O3	188.1161	Organic acids	Amino acids and peptides	Dipeptides
glycylphenylalanine			Gly-Phe	Yes	C11H14N2O3	222.1004	Organic acids	Amino acids and peptides	Dipeptides
glycylproline			Gly-Pro	Yes	C7H12N2O3	172.0848	Organic acids	Amino acids and peptides	Dipeptides
glycyltyrosine			Gly-Tyr	Yes	C11H14N2O4	238.0954	Organic acids	Amino acids and peptides	Dipeptides
glycylvaline			Gly-Val	Yes	C7H14N2O3	174.1004	Organic acids	Amino acids and peptides	Dipeptides
guanine	C00242	HMDB0000132	Guanine	Yes	C5H5N5O	151.0494	Nucleic acids	Purines	Hypoxanthines
guanosine	C00387	HMDB0000133	Guanosine	Yes	C10H13N5O5	283.0917	Nucleic acids	Purines	Purine ribonucleosides
guanosine 3'-monophosphate (3'-GMP)
gulono-1,4-lactone
heme	C00032	HMDB0003178
hexadecanedioate	C19615	HMDB0000672
hexanoylcarnitine		HMDB0000705
hippurate	C01586	HMDB0000714
histidine	C00135	HMDB0000177
histidylphenylalanine
homocitrate
homocysteine	C00155	HMDB0000742
homogentisate
homoserine
homovanillate sulfate		HMDB0011719
hydroxybutyrylcarnitine*
hydroxyisovaleroyl carnitine
hypotaurine	C00519	HMDB0000965
hypoxanthine	C00262	HMDB0000157
imidazole propionate		HMDB0002271
inosine	C00294	HMDB0000195
inositol 1-phosphate (I1P)	C04006	HMDB0006814
Isobar: ribulose 5-phosphate, xylulose 5-phosphate
isobutyrylcarnitine
isoleucine	C00407	HMDB0000172
isoleucylglycine
isovalerylcarnitine		HMDB0000688
kynurenate	C01717	HMDB0000715
kynurenine	C00328	HMDB0000684
L-urobilin	C05793	HMDB0004159
lactate	C00186	HMDB0000190
lactobionate
lathosterol
laurate (12:0)	C02679	HMDB0000638
leucine	C00123	HMDB0000687
leucylalanine
leucylglycine
lidocaine	C07073	HMDB0014426
linoleate (18:2n6)	C01595	HMDB0000673
linolenate [alpha or gamma; (18:3n3 or 6)]	C06426	HMDB0003073
lysine	C00047	HMDB0000182
lysylleucine
malate	C00149	HMDB0000156
malonylcarnitine		HMDB0002095
maltohexaose	C01936	HMDB0012253
maltopentaose		HMDB0012254
maltose	C00208	HMDB0000163
maltotetraose	C02052	HMDB0001296
maltotriose	C01835	HMDB0001262
mannitol
mannose	C00159	HMDB0000169
mannose-6-phosphate
margarate (17:0)		HMDB0002259
methionine	C00073	HMDB0000696
methyl-4-hydroxybenzoate
methyl-alpha-glucopyranoside
methylmalonate (MMA)	C02170	HMDB0000202
myo-inositol	C00137	HMDB0000211
myristate (14:0)	C06424	HMDB0000806
myristoleate (14:1n5)	C08322	HMDB0002000
N-acetylalanine		HMDB0000766
N-acetylaspartate (NAA)	C01042	HMDB0000812
N-acetylglucosamine
N-acetylglucosamine 6-phosphate	C00357	HMDB0001062
N-acetylglutamate	C00624	HMDB0001138
N-acetylglycine		HMDB0000532
N-acetylmannosamine	C00140	HMDB0000215
N-acetylmethionine	C02712	HMDB0011745
N-acetylneuraminate
N-acetylphenylalanine	C03519	HMDB0000512
N-acetylserine		HMDB0002931
N-acetylthreonine
N-acetyltryptophan
n-Butyl Oleate
N1-methyladenosine	C02494	HMDB0003331
N1-methylguanosine	C04545	HMDB0001563
N2-acetyllysine
N2-methylguanosine		HMDB0005862
N2,N2-dimethylguanosine		HMDB0004824
N2,N5-diacetylornithine
N4-acetylcytidine
N6-acetyllysine	C02727	HMDB0000206
N6-carbamoylthreonyladenosine
N6-methyladenosine		HMDB0004044
neopterin	C05926	HMDB0000845
nicotinamide	C00153	HMDB0001406
nicotinamide adenine dinucleotide (NAD+)	C00003	HMDB0000902
nicotinamide riboside*
nicotinate	C00253	HMDB0001488
nonadecanoate (19:0)	C16535	HMDB0000772
octadecanedioate
octanoylcarnitine	C02838	HMDB0000791
oleate (18:1n9)
oleic ethanolamide
oleoylcarnitine
ophthalmate		HMDB0005765
ornithine	C00077	HMDB0000214
orotate	C00295	HMDB0000226
oxaloacetate
p-acetamidophenylglucuronide
p-cresol sulfate	C01468	HMDB0001858
palmitate (16:0)	C00249	HMDB0000220
palmitoleate (16:1n7)	C08362	HMDB0003229
palmitoyl ethanolamide	C16512	HMDB0002100
palmitoyl sphingomyelin
palmitoylcarnitine	C02990	HMDB0000222
pantothenate	C00864	HMDB0000210
pelargonate (9:0)	C01601	HMDB0000847
penicillin G	C05551	HMDB0015186
pentadecanoate (15:0)
phenol sulfate
phenylacetylglutamine	C04148	HMDB0006344
phenylalanine	C00079	HMDB0000159
phenylalanylhistidine
phenylalanylproline
phenylalanylserine
phenylcarnitine*
phosphate	C00009	HMDB0001429
phosphoenolpyruvate (PEP)	C00074	HMDB0000263
phosphoethanolamine	C00346	HMDB0000224
phosphopantetheine	C01134	HMDB0001416
phytosphingosine	C12144	HMDB0004610	Phytosphingosine	Yes	C18H39NO3	317.293	Sphingolipids	Sphingoid bases	Phytosphingosines
pipecolate	C00408	HMDB0000716	Pipecolic acid	Yes	C6H11NO2	129.079	Organic acids	Amino acids and peptides	Amino acids
pivaloylcarnitine			CAR(3:0(Me2))	Yes	C12H23NO4	245.1627	Fatty Acyls	Fatty esters	Short-chain acyl carnitines
pregn steroid monosulfate*			Pregnenolone sulfate	Yes	C21H32O5S	396.197	Sterol Lipids	Steroid conjugates	Steroid sulfates
pregnen-diol disulfate*			-	No
pro-pro-pro			Pro-Pro-Pro	Yes	C15H23N3O4	309.1689	Organic acids	Amino acids and peptides	Tripeptides
proline	C00148	HMDB0000162	Proline	Yes	C5H9NO2	115.0633	Organic acids	Amino acids and peptides	Amino acids
prolylglycine			Pro-Gly	Yes	C7H12N2O3	172.0848	Organic acids	Amino acids and peptides	Dipeptides
prolylproline			Pro-Pro	Yes	C10H16N2O3	212.1161	Organic acids	Amino acids and peptides	Dipeptides
prolylthreonine			Pro-Thr	Yes	C9H16N2O4	216.111	Organic acids	Amino acids and peptides	Dipeptides
propionylcarnitine	C03017	HMDB0000824	CAR(3:0)	Yes	C10H19NO4	217.1314	Fatty Acyls	Fatty esters	Short-chain acyl carnitines
pseudouridine	C02067	HMDB0000767	Pseudouridine	Yes	C9H12N2O6	244.0695	Nucleic acids	Pyrimidines	Pyrimidine ribonucleosides
putrescine	C00134	HMDB0001414	Putrescine	Yes	C4H12N2	88.1	Fatty Acyls	Fatty amines	Monoalkylamines
pyridoxal	C00250	HMDB0001545	Pyridoxal	Yes	C8H9NO3	167.0582	Organoheterocyclic compounds	Pyridine carboxaldehydes	Pyridoxals
pyridoxate	C00847	HMDB0000017	4-Pyridoxic acid	Yes	C8H9NO4	183.0532	Organoheterocyclic compounds	Pyridines	Pyridinecarboxylic acids
pyroglutamine*			Pyroglutamine	Yes	C5H8N2O2	128.0586	Organic acids	Amino acids and peptides	Amino acids
pyrophosphate (PPi)			Pyrophosphate	Yes	P2H2Na2O7	221.9071	Mixed metal/non-metal compounds	Alkali metal pyrophosphates	Alkali metal pyrophosphates
raffinose	C00492	HMDB0003213	Raffinose	Yes	C18H32O16	504.169	Carbohydrates	Glycosyl compounds	O-glycosyl compounds
ribitol	C00474	HMDB0000508	Ribitol	Yes	C5H12O5	152.0685	Carbohydrates	Monosaccharides	Sugar alcohols
riboflavin (Vitamin B2)	C00255	HMDB0000244	Riboflavin	Yes	C17H20N4O6	376.1383	Organoheterocyclic compounds	Alloxazines and isoalloxazines	Flavins
ribonate	C01685	HMDB0000867	Ribonic acid	Yes	C5H10O6	166.0477	Carbohydrates	Monosaccharides	Sugar acids
ribose	C00121	HMDB0000283	Ribose	Yes	C5H10O5	150.0528	Carbohydrates	Monosaccharides	Monosaccharides
ribose 5-phosphate			Ribose 5-phosphate	Yes	C5H11O8P	230.0192	Carbohydrates	Monosaccharides	Monosaccharide phosphates
ribulose			L-Ribulose	Yes	C5H10O5	150.0528	Carbohydrates	Monosaccharides	Monosaccharides
S-adenosylhomocysteine (SAH)	C00021	HMDB0000939	S-Adenosylhomocysteine	Yes	C14H20N6O5S	384.1216	Carbohydrates	Glycosyl compounds	Glycosylamines
S-adenosylmethionine (SAM)	C00019	HMDB0001185	S-Adenosylmethionine	Yes	C15H23N6O5S	399.1451	Carbohydrates	Glycosyl compounds	Glycosylamines
S-methylcysteine		HMDB0002108	Methylcysteine	Yes	C4H9NO2S	135.0354	Organic acids	Amino acids and peptides	Amino acids
sarcosine (N-Methylglycine)	C00213	HMDB0000271	Sarcosine	Yes	C3H7NO2	89.0477	Organic acids	Amino acids and peptides	Amino acids
scyllo-inositol			Myo-inositol	Yes	C6H12O6	180.0634	Organic oxygen compounds	Alcohols and polyols	Inositols
sebacate (decanedioate)	C08277	HMDB0000792	Sebacic acid	Yes	C10H18O4	202.1205	Organic acids	Organic dicarboxylic acids	Organic dicarboxylic acids
sedoheptulose-7-phosphate			Sedoheptulose 7-phosphate	Yes	C7H15O10P	290.0403	Carbohydrates	Monosaccharides	Monosaccharide phosphates
serine	C00065	HMDB0000187	Serine	Yes	C3H7NO3	105.0426	Organic acids	Amino acids and peptides	Amino acids
serylleucine			Ser-Leu	Yes	C9H18N2O4	218.1267	Organic acids	Amino acids and peptides	Dipeptides
sorbitol			Sorbitol	Yes	C6H14O6	182.079	Carbohydrates	Monosaccharides	Sugar alcohols
spermidine	C00315	HMDB0001257	Spermidine	Yes	C7H19N3	145.1579	Organic nitrogen compounds	Amines	Dialkylamines
sphinganine	C00836	HMDB0000269	Sphinganine	Yes	C18H39NO2	301.2981	Sphingolipids	Sphingoid bases	Sphinganines
sphingosine	C00319	HMDB0000252	Sphingosine	Yes	C18H37NO2	299.2824	Sphingolipids	Sphingoid bases	Sphingosines
stachydrine	C10172	HMDB0004827	Stachydrine	Yes	C7H14NO2	144.1025	Organic acids	Amino acids and peptides	Amino acids
stearate (18:0)	C01530	HMDB0000827	Stearic acid	Yes	C18H36O2	284.2715	Fatty Acyls	Fatty acids	Saturated FA
stearidonate (18:4n3)	C16300	HMDB0006547	Stearidonic acid	Yes	C18H28O2	276.2089	Fatty Acyls	Fatty acids	Unsaturated FA
stearoylcarnitine		HMDB0000848	CAR(18:0)	Yes	C25H49NO4	427.3662	Fatty Acyls	Fatty esters	Acyl carnitines
succinate	C00042	HMDB0000254	Succinic acid	Yes	C4H6O4	118.0266	Organic acids	TCA acids	TCA acids
succinylcarnitine			CAR(DC4:0)	Yes	C11H19NO6	261.1212	Fatty Acyls	Fatty esters	Short-chain acyl carnitines
tagatose			Fructose	Yes	C6H12O6	180.0634	Carbohydrates	Monosaccharides	Monosaccharides
taurochenodeoxycholate	C05465	HMDB0000951	Taurochenodeoxycholic acid	Yes	C26H45NO6S	499.2968	Sterol Lipids	Bile acids	C24 bile acids
taurocholate	C05122	HMDB0000036	Taurocholic acid	Yes	C26H45NO7S	515.2917	Sterol Lipids	Bile acids	C24 bile acids
taurocholenate sulfate*			Taurocholenate sulfate	Yes	C26H43NO10S2	593.2328	Sterol Lipids	Bile acids	C24 bile acids
taurodeoxycholate	C05463	HMDB0000896	Taurodeoxycholic acid	Yes	C26H45NO6S	499.2968	Sterol Lipids	Bile acids	C24 bile acids
taurolithocholate	C02592	HMDB0000722	Taurolithocholic acid	Yes	C26H45NO5S	483.3018	Sterol Lipids	Bile acids	C24 bile acids
taurolithocholate 3-sulfate	C03642	HMDB0002580	Taurolithocholic acis sulfate	Yes	C26H45NO8S2	563.2587	Sterol Lipids	Bile acids	C24 bile acids
tauroursodeoxycholate			Tauroursodeoxycholic acid	Yes	C26H45NO6S	499.2968	Sterol Lipids	Bile acids	C24 bile acids
tetradecanedioate	C11002	HMDB0000872	Tetradecanedioic acid	Yes	C14H26O4	258.1831	Fatty Acyls	Fatty acids	Dicarboxylic acids
threitol			Threitol	Yes	C4H10O4	122.0579	Carbohydrates	Monosaccharides	Sugar alcohols
threonine	C00188	HMDB0000167	Threonine	Yes	C4H9NO3	119.0582	Organic acids	Amino acids and peptides	Amino acids
thymine	C00178	HMDB0000262	Thymine	Yes	C5H6N2O2	126.0429	Nucleic acids	Pyrimidines	Pyrimidines
tiglyl carnitine			CAR(4:1(2Me))	Yes	C12H21NO4	243.1471	Fatty Acyls	Fatty esters	Short-chain acyl carnitines
trans-4-hydroxyproline	C01157	HMDB0000725	trans-4-Hydroxyproline	Yes	C5H9NO3	131.0582	Organic acids	Amino acids and peptides	Amino acids
trans-urocanate	C00785	HMDB0000301	Urocanic acid	Yes	C6H6N2O2	138.0429	Organoheterocyclic compounds	Imidazoles	Imidazolyl carboxylic acids
tricarballylate	C19806	HMDB0031193	1,2,3-Propanetricarboxylic acid	Yes	C6H8O6	176.0321	Organic acids	Carboxylic acids	Tricarboxylic acids
tryptophan	C00078	HMDB0000929	Tryptophan	Yes	C11H12N2O2	204.0899	Organic acids	Amino acids and peptides	Amino acids
tryptophan betaine
tyrosine	C00082	HMDB0000158	Tyrosine	Yes	C9H11NO3	181.0739	Organic acids	Amino acids and peptides	Amino acids
tyrosylglutamate			Tyr-Glu	Yes	C14H18N2O6	310.1165	Organic acids	Amino acids and peptides	Dipeptides
tyrosylglycine			Tyr-Gly	Yes	C11H14N2O4	238.0954	Organic acids	Amino acids and peptides	Dipeptides
UDP-galactose	C00052	HMDB0000302	UDP-galactose	Yes	C15H24N2O17P2	566.055	Nucleic acids	Pyrimidines	Pyrimidine ribonucleoside diphosphates
UDP-glucuronate	C00167	HMDB0000935	UDP-glucuronic acid	Yes	C15H22N2O18P2	580.0343	Nucleic acids	Pyrimidines	Pyrimidine ribonucleoside diphosphates
undecanedioate		HMDB0000888	Undecanedioic acid	Yes	C11H20O4	216.1362	Fatty Acyls	Fatty acids	Dicarboxylic acids
undecanoate (11:0)			Undecylic acid	Yes	C11H22O2	186.162	Fatty Acyls	Fatty acids	Saturated FA
uracil	C00106	HMDB0000300	Uracil	Yes	C4H4N2O2	112.0273	Nucleic acids	Pyrimidines	Pyrimidines
urate	C00366	HMDB0000289	Uric acid	Yes	C5H4N4O3	168.0283	Nucleic acids	Purines	Xanthines
urea	C00086	HMDB0000294	Urea	Yes	CH4N2O	60.0324	Organic acids	Carboximidic acids	Isoureas
uridine	C00299	HMDB0000296	Uridine	Yes	C9H12N2O6	244.0695	Nucleic acids	Pyrimidines	Pyrimidine ribonucleosides
valerylcarnitine			CAR(5:0)	Yes	C12H23NO4	245.1627	Fatty Acyls	Fatty esters	Short-chain acyl carnitines
valine	C00183	HMDB0000883	Valine	Yes	C5H11NO2	117.079	Organic acids	Amino acids and peptides	Amino acids
valylglycine			Val-Gly	Yes	C7H14N2O3	174.1004	Organic acids	Amino acids and peptides	Dipeptides
vecuronium			Vecuronium	Yes	C34H57N2O4	557.4318	Sterol Lipids	Steroids	C19 steroids
VGAHAGEYGAEALER*			-	No
xanthine	C00385	HMDB0000292	Xanthine	Yes	C5H4N4O2	152.0334	Nucleic acids	Purines	Xanthines
xanthosine	C01762	HMDB0000299	Xanthosine	Yes	C10H12N4O6	284.0757	Nucleic acids	Purines	Purine ribonucleosides
xylitol			Xylitol	Yes	C5H12O5	152.0685	Carbohydrates	Monosaccharides	Sugar alcohols
xylonate			Xylonic acid	Yes	C5H10O6	166.0477	Carbohydrates	Monosaccharides	Sugar acids
METABOLITES_END
#END