#METABOLOMICS WORKBENCH Kugan91_20250529_172939 DATATRACK_ID:5967 STUDY_ID:ST003959 ANALYSIS_ID:AN006507 PROJECT_ID:PR002482
VERSION             	1
CREATED_ON             	June 1, 2025, 5:04 pm
#PROJECT
PR:PROJECT_TITLE                 	Complex II assembly drives metabolic adaptation to OXPHOS dysfunction.
PR:PROJECT_SUMMARY               	During acute oxidative phosphorylation (OXPHOS) dysfunction, the reverse
PR:PROJECT_SUMMARY               	activity of succinate dehydrogenase (Complex II) maintains the redox state of
PR:PROJECT_SUMMARY               	Coenzyme Q by utilizing either fumarate or oxygen as terminal electron
PR:PROJECT_SUMMARY               	acceptors. The tendency for one over another has been suggested to be
PR:PROJECT_SUMMARY               	tissue-specific, but the underlying mechanism and consequence of this is
PR:PROJECT_SUMMARY               	unknown. Using quantitative proteomics to screen a panel of HEK293T knockout
PR:PROJECT_SUMMARY               	cell lines, we identified an increase in SDHAF2 protein, a Complex II assembly
PR:PROJECT_SUMMARY               	factor that enhances the flavination of catalytic subunit SDHA, as critical for
PR:PROJECT_SUMMARY               	metabolic adaptation during OXPHOS stress in HEK293T cells. Loss of SDHAF2
PR:PROJECT_SUMMARY               	during Complex III inhibition resulted in a reduction in Complex II F-site
PR:PROJECT_SUMMARY               	derived reactive oxygen species (ROS), a severe growth impairment, and a net
PR:PROJECT_SUMMARY               	reductive TCA cycle driven by an inability of mitochondria to support additional
PR:PROJECT_SUMMARY               	Complex II assembly. This in turn leads to use of fumarate as terminal electron
PR:PROJECT_SUMMARY               	acceptor at the cost of a ROS-mediated switch to glycolysis. Cell lines adapted
PR:PROJECT_SUMMARY               	to glycolysis did not accumulate SDHAF2 upon OXPHOS stress and exhibited a net
PR:PROJECT_SUMMARY               	reductive TCA cycle and mild growth phenotypes with or without SDHAF2 being
PR:PROJECT_SUMMARY               	present. Thus, our study reveals how Complex II assembly controls a balance
PR:PROJECT_SUMMARY               	between protection of the Q-pool and ROS-meditated signaling during oxidative
PR:PROJECT_SUMMARY               	stress in cells reliant on mitochondrial OXPHOS.
PR:INSTITUTE                     	University of Melbourne
PR:LAST_NAME                     	Roopasingam
PR:FIRST_NAME                    	Kugapreethan
PR:ADDRESS                       	30 Flemington Rd, Bio21 Molecular Science and Biotechnology Institute,
PR:ADDRESS                       	University of Melbourne, Parkville, VIC, Australia.
PR:EMAIL                         	k.roopasingam@unimelb.edu.au
PR:PHONE                         	0434297212
#STUDY
ST:STUDY_TITLE                   	Steady state levels of polar metabolites HEK293T, SDHBKO and UQCRC1KO compared
ST:STUDY_TITLE                   	to WT cells.
ST:STUDY_SUMMARY                 	This study aimed to investigate changes in relative abundance of polar
ST:STUDY_SUMMARY                 	metabolites in cells with OXPHOS dysfunction using targeted GC-MS analysis.
ST:INSTITUTE                     	University of Melbourne
ST:LAST_NAME                     	Roopasingam
ST:FIRST_NAME                    	Kugapreethan
ST:ADDRESS                       	30 Flemington Rd, Bio21 Molecular Science and Biotechnology Institute,
ST:ADDRESS                       	University of Melbourne, Parkville, VIC, Australia.
ST:EMAIL                         	k.roopasingam@unimelb.edu.au
ST:PHONE                         	0434297212
#SUBJECT
SU:SUBJECT_TYPE                  	Cultured cells
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
#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           	-	BKO_001_UNK-0022_13032023_22	Sample source:SDHBKO_001 | Treatment:Knock out	RAW_FILE_NAME(Raw file name)=BKO_001_UNK-0022_13032023_22.qgd
SUBJECT_SAMPLE_FACTORS           	-	BKO_002_UNK-0032_13032023_32	Sample source:SDHBKO_002 | Treatment:Knock out	RAW_FILE_NAME(Raw file name)=BKO_002_UNK-0032_13032023_32.qgd
SUBJECT_SAMPLE_FACTORS           	-	BKO_003_UNK-0026_13032023_26	Sample source:SDHBKO_003 | Treatment:Knock out	RAW_FILE_NAME(Raw file name)=BKO_003_UNK-0026_13032023_26.qgd
SUBJECT_SAMPLE_FACTORS           	-	BKO_004_UNK-0017_13032023_17	Sample source:SDHBKO_004 | Treatment:Knock out	RAW_FILE_NAME(Raw file name)=BKO_004_UNK-0017_13032023_17.qgd
SUBJECT_SAMPLE_FACTORS           	-	BKO_005_UNK-0015_13032023_15	Sample source:SDHBKO_005 | Treatment:Knock out	RAW_FILE_NAME(Raw file name)=BKO_005_UNK-0015_13032023_15.qgd
SUBJECT_SAMPLE_FACTORS           	-	BKO_006_UNK-0007_13032023_7	Sample source:SDHBKO_006 | Treatment:Knock out	RAW_FILE_NAME(Raw file name)=BKO_006_UNK-0007_13032023_7.qgd
SUBJECT_SAMPLE_FACTORS           	-	UQKO_001_UNK-0027_13032023_27	Sample source:UQCRC1KO_001 | Treatment:Knock out	RAW_FILE_NAME(Raw file name)=UQKO_001_UNK-0027_13032023_27.qgd
SUBJECT_SAMPLE_FACTORS           	-	UQKO_002_UNK-0030_13032023_30	Sample source:UQCRC1KO_002 | Treatment:Knock out	RAW_FILE_NAME(Raw file name)=UQKO_002_UNK-0030_13032023_30.qgd
SUBJECT_SAMPLE_FACTORS           	-	UQKO_003_UNK-0029_13032023_29	Sample source:UQCRC1KO_003 | Treatment:Knock out	RAW_FILE_NAME(Raw file name)=UQKO_003_UNK-0029_13032023_29.qgd
SUBJECT_SAMPLE_FACTORS           	-	UQKO_004_UNK-0006_13032023_6	Sample source:UQCRC1KO_004 | Treatment:Knock out	RAW_FILE_NAME(Raw file name)=UQKO_004_UNK-0006_13032023_6.qgd
SUBJECT_SAMPLE_FACTORS           	-	UQKO_005_UNK-0008_13032023_8	Sample source:UQCRC1KO_005 | Treatment:Knock out	RAW_FILE_NAME(Raw file name)=UQKO_005_UNK-0008_13032023_8.qgd
SUBJECT_SAMPLE_FACTORS           	-	UQKO_006_UNK-0028_13032023_28	Sample source:UQCRC1KO_006 | Treatment:Knock out	RAW_FILE_NAME(Raw file name)=UQKO_006_UNK-0028_13032023_28.qgd
SUBJECT_SAMPLE_FACTORS           	-	WT_001_UNK-0009_13032023_9	Sample source:Wild type_001 | Treatment:Control	RAW_FILE_NAME(Raw file name)=WT_001_UNK-0009_13032023_9.qgd
SUBJECT_SAMPLE_FACTORS           	-	WT_002_UNK-0033_13032023_33	Sample source:Wild type_002 | Treatment:Control	RAW_FILE_NAME(Raw file name)=WT_002_UNK-0033_13032023_33.qgd
SUBJECT_SAMPLE_FACTORS           	-	WT_003_UNK-0023_13032023_23	Sample source:Wild type_003 | Treatment:Control	RAW_FILE_NAME(Raw file name)=WT_003_UNK-0023_13032023_23.qgd
SUBJECT_SAMPLE_FACTORS           	-	WT_004_UNK-0019_13032023_19	Sample source:Wild type_004 | Treatment:Control	RAW_FILE_NAME(Raw file name)=WT_004_UNK-0019_13032023_19.qgd
SUBJECT_SAMPLE_FACTORS           	-	WT_005_UNK-0020_13032023_20	Sample source:Wild type_005 | Treatment:Control	RAW_FILE_NAME(Raw file name)=WT_005_UNK-0020_13032023_20.qgd
SUBJECT_SAMPLE_FACTORS           	-	WT_006_UNK-0012_13032023_12	Sample source:Wild type_006 | Treatment:Control	RAW_FILE_NAME(Raw file name)=WT_006_UNK-0012_13032023_12.qgd
#COLLECTION
CO:COLLECTION_SUMMARY            	HEK293T cells were cultured in Dulbecco's Modified Eagle Medium (DMEM, Thermo
CO:COLLECTION_SUMMARY            	Fisher Scientific) supplemented with 10 % (v/v) fetal bovine serum (FBS,
CO:COLLECTION_SUMMARY            	CellSera), 50 µg/mL uridine (Sigma), and a mixture of 100 µg/mL streptomycin
CO:COLLECTION_SUMMARY            	and 100 units/mL penicillin (Thermo Scientific).
CO:SAMPLE_TYPE                   	Embryonic cells
#TREATMENT
TR:TREATMENT_SUMMARY             	HEK293T knockouts for SDHB and UQCRC1 were made using the CRISPR-Cas9 mediated
TR:TREATMENT_SUMMARY             	technology as described in Stroud, D. A. et al. Nature 538, 123–126 (2016).
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	For steady-state metabolite profiling, polar metabolites were extracted from
SP:SAMPLEPREP_SUMMARY            	snap-frozen cells using 600 µL of HPLC grade methanol:chloroform mixture (9:1;
SP:SAMPLEPREP_SUMMARY            	[v/v]), along with internal standards (1.66μM 13C5,15N-valine, 1.66μM
SP:SAMPLEPREP_SUMMARY            	13C6-sorbitol), as described above. The clarified supernatants and pooled
SP:SAMPLEPREP_SUMMARY            	biological quality controls (PBQC’s) were dried using a CentriVap concentrator
SP:SAMPLEPREP_SUMMARY            	(Labconco).
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	GC
CH:INSTRUMENT_NAME               	Shimadzu GC-2010
CH:COLUMN_NAME                   	30 m Agilent DB-5 column with a diameter of 0.25mm and a film thickness of 1µm
CH:SOLVENT_A                     	N/A
CH:SOLVENT_B                     	N/A
CH:FLOW_GRADIENT                 	N/A
CH:FLOW_RATE                     	1ml/min
CH:COLUMN_TEMPERATURE            	100
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Shimadzu TQ8050NX
MS:INSTRUMENT_TYPE               	Triple quadrupole
MS:MS_TYPE                       	EI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	The GC-MS system used comprised of an AOC6000 autosampler, a 2030 Shimadzu gas
MS:MS_COMMENTS                   	chromatograph and a TQ8050NX triple quadrupole mass spectrometer (Shimadzu,
MS:MS_COMMENTS                   	Japan)with an electron ionisation source(-70eV). The mass spectrometer was tuned
MS:MS_COMMENTS                   	according to the manufacturer’s recommendations using
MS:MS_COMMENTS                   	tris-(perfluorobutyl)-amine (CF43). GC-MS was performed on a 30m Agilent DB-5
MS:MS_COMMENTS                   	column with 0.25mm internal diameter column and 1µm film thickness. The
MS:MS_COMMENTS                   	injection temperature (inlet) was set at 280°C, the MS transfer line at 280°C
MS:MS_COMMENTS                   	and the ion source adjusted to 200°C. Helium was used as the carrier gas at a
MS:MS_COMMENTS                   	flow rate of 1 mL/min and argon gas was used in the collision cell to generate
MS:MS_COMMENTS                   	the MRM product ion. The analysis of the derivatised samples was performed under
MS:MS_COMMENTS                   	the following oven temperature program; 100°C start temperature, hold for 4
MS:MS_COMMENTS                   	minutes, followed by a 10°C/min oven temperature ramp to 320°C with a
MS:MS_COMMENTS                   	following final hold for 11 minutes.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	Relative abundance
MS_METABOLITE_DATA_START
Samples	BKO_001_UNK-0022_13032023_22	BKO_002_UNK-0032_13032023_32	BKO_003_UNK-0026_13032023_26	BKO_004_UNK-0017_13032023_17	BKO_005_UNK-0015_13032023_15	BKO_006_UNK-0007_13032023_7	UQKO_001_UNK-0027_13032023_27	UQKO_002_UNK-0030_13032023_30	UQKO_003_UNK-0029_13032023_29	UQKO_004_UNK-0006_13032023_6	UQKO_005_UNK-0008_13032023_8	UQKO_006_UNK-0028_13032023_28	WT_001_UNK-0009_13032023_9	WT_002_UNK-0033_13032023_33	WT_003_UNK-0023_13032023_23	WT_004_UNK-0019_13032023_19	WT_005_UNK-0020_13032023_20	WT_006_UNK-0012_13032023_12
Factors	Sample source:SDHBKO_001 | Treatment:Knock out	Sample source:SDHBKO_002 | Treatment:Knock out	Sample source:SDHBKO_003 | Treatment:Knock out	Sample source:SDHBKO_004 | Treatment:Knock out	Sample source:SDHBKO_005 | Treatment:Knock out	Sample source:SDHBKO_006 | Treatment:Knock out	Sample source:UQCRC1KO_001 | Treatment:Knock out	Sample source:UQCRC1KO_002 | Treatment:Knock out	Sample source:UQCRC1KO_003 | Treatment:Knock out	Sample source:UQCRC1KO_004 | Treatment:Knock out	Sample source:UQCRC1KO_005 | Treatment:Knock out	Sample source:UQCRC1KO_006 | Treatment:Knock out	Sample source:Wild type_001 | Treatment:Control	Sample source:Wild type_002 | Treatment:Control	Sample source:Wild type_003 | Treatment:Control	Sample source:Wild type_004 | Treatment:Control	Sample source:Wild type_005 | Treatment:Control	Sample source:Wild type_006 | Treatment:Control
ISTD_Valine	6704243	6835404	6804278	6875779	7284886	7502978	7300351	6649841	6532911	7491731	7015548	6670187	6834761	7258777	7639302	7484167	7389546	7550760
ISTD_Sorbitol	1373721	1221668	1115049	1083848	1011282	1334653	1101659	997271	1616494	1374795	1521076	1031811	2145224	1408875	1381542	1378630	1348038	2095291
Dimethylglycine_HMDB0000092	260376	229461	264786	245408	251430	161861	105825	96986	106357	85046	91861	97238	102383	238233	220494	175878	146297	109972
Glyoxylic acid_HMDB0000119	292870	256221	297229	275831	281699	179139	113999	106458	116759	92242	99948	107141	112965	266893	248175	195757	162710	119951
Pyruvic acid_HMDB0000243	704986	683753	687845	829015	824981	782063	561849	481658	582947	545840	541879	511078	1035845	1009690	1216627	1152288	1042254	1219859
Lactic acid_HMDB0000190	6088698	6315077	6177287	6657384	6609814	6010508	8125873	7335563	7773622	7920852	7390920	7322952	5731580	6384435	6726836	6467323	6614239	7039523
Alpha-Hydroxyisobutyric acid_HMDB0000729	16985	18707	12869	12694	12446	16342	12599	13743	17281	15914	14687	16039	16884	18693	18278	14919	15449	16306
Glycolic acid_HMDB0000115	178754	176658	171615	174416	190941	197040	148092	138894	150101	209656	248708	170535	193845	204322	186599	166971	216272	236500
Caproic acid_HMDB0000535	846995	816619	728798	693209	746925	795527	696959	669579	659658	819204	734209	697862	847952	834042	850784	776042	706184	746513
Alanine_HMDB0000161	7286836	7220427	7722274	7932648	7811556	7817778	7427207	6065022	6425569	7081861	6387378	6475365	17919281	18182167	20048897	19334316	18599881	20068193
Alpha-ketoisovaleric acid_HMDB0000019	17988	14312	14527	18276	17830	17738	35374	29345	36358	36089	33612	29950	22389	21623	23223	22700	21039	25425
Oxalic acid_HMDB0002329	195693	199782	202828	201350	202334	214371	204873	205345	217637	230656	225319	203744	213325	207547	198974	192419	208263	221520
Hydroxylamine_HMDB0003338	6790144	7993990	8173632	7537354	8478460	9810495	8732720	9898565	8826533	8173407	7534416	8383377	6760202	8261691	7151354	7709472	7156312	6437899
2-Hydroxybutyric acid_HMDB0000008	47822	50975	50748	50123	49559	47304	57145	53743	54953	54051	52117	52499	56858	57521	62794	59421	60625	67369
Acetoacetic acid_HMDB0000060	721716	734591	756089	725596	735899	668842	752761	762514	769034	722584	696562	741715	712187	742688	741820	699575	733741	713719
Hydroxypropionic acid_HMDB0000700	102404	108653	95324	95752	109575	109567	87368	82526	81415	115681	172349	103247	115885	129406	133064	104704	139805	146829
3-Hydroxybutyric acid_HMDB0000357	281582	263052	206961	203356	243204	193227	228092	247969	235029	225767	224768	214125	243264	310397	331802	246305	258783	301475
(S)-3-Hydroxyisobutyric acid_HMDB0000023	91421	85117	76733	72936	79409	67387	68429	71281	73480	70313	71424	65726	234405	258265	280095	252307	272018	295160
2-Hydroxy-3-methylbutyric acid_HMDB0000407	8600	8904	8355	8029	9395	8486	9296	6954	9001	9662	10091	8064	7559	9317	9027	8991	10009	9896
Alpha-aminobutyric acid_HMDB0000650	40688	36126	40893	42060	39641	40580	20113	17984	20086	18716	20474	20041	62789	61577	71213	66812	63823	76244
3-Methyl-2-oxovaleric acid_HMDB0000491	63873	55896	55466	65384	60273	60682	132136	113756	128741	127337	117182	109177	75662	72071	81462	72553	75506	81611
3-Aminoisobutanoic acid_HMDB0003911	23839	23641	25146	25416	27895	23668	29452	24179	25322	24586	25063	23887	22564	21446	25918	25919	24627	28059
3-Hydroxyisovaleric acid_HMDB0000754	70974	68885	60778	60258	65095	66578	40577	37706	45670	46726	46216	40525	87051	109862	109942	91917	97883	105234
Ketoleucine_HMDB0000695	146535	121860	127648	143699	141750	132736	246387	224761	244313	256165	233307	221672	193785	185126	203397	193529	191322	212895
Methylmalonic acid_HMDB0000202	1780	1079	1429	1067	1292	1032	1353	1099	1281	1056	1224	1127	8755	7414	10206	9515	10924	11068
Valine_HMDB0000883	3578655	3558033	3623333	3817180	3752732	3650768	2717206	2317608	2478506	2643331	2425476	2456714	4533815	4548075	5265614	5093028	4810007	5327639
Urea_HMDB0000294	6872394	6535780	6336134	6733733	6817515	6388692	5804051	5095653	5552339	5739486	5399295	5160415	9217872	9093618	10227359	9572347	9338205	10239882
Dihydroxyacetone_HMDB0001882	26508	25549	25893	28321	31394	27159	11020	9782	10501	12668	13210	11063	15025	12684	15972	14102	14785	16939
Benzoic acid_HMDB0001870	800586	719781	709086	655818	779354	764759	464396	493027	390670	727498	509870	594268	778616	860505	781467	747045	667470	722404
N-Acetyl-L-alanine_HMDB0000766	36402	41748	36686	35040	38152	31492	25919	26804	26921	23952	26000	20126	59116	78846	85452	73099	73079	79943
Caprylic acid_HMDB0000482	192287	180644	162462	144392	176433	185327	98179	106283	76127	158554	121029	124300	191263	188760	171788	196845	167208	183387
Glycerol_HMDB0000131	1577926	1445606	1255222	1346405	1400694	1987225	1119094	1090338	755531	2002465	1723526	1066484	1846461	1244295	1471541	1367176	1294112	1932546
Ethanolamine_HMDB0000149	227391	224779	215983	255702	245861	299237	197309	181340	156940	231089	207174	185963	206720	165296	190340	179540	155136	207739
Leucine_HMDB0000687	10338967	10324465	10280672	10856466	10717607	10634355	8604942	7365850	7821403	8549276	7756735	7793016	12457139	12451537	14332931	13732518	13003577	14354052
Pipecolic acid_HMDB0000070	124954	127100	149622	127050	149320	122473	139562	122834	126033	119352	115838	125883	131027	156778	151903	140656	145671	153552
Phosphoric acid_HMDB0002142	27349612	26667313	31239044	30487306	31759672	28432708	30820811	26034567	26935961	29391624	28017430	27966268	29141821	28302963	30262715	31061691	30225240	30168788
Isoleucine_HMDB0000172	9500933	9418427	9615120	10075171	9999676	9808678	7274574	6152058	6566725	7175495	6534266	6552165	12103859	12072887	13976822	13468988	12773643	14036849
Maleic acid_HMDB0000176	3209	1926	2950	2560	3816	3403	2041	1793	2464	4580	3431	1778	7375	6741	8132	7839	7066	8088
Proline_HMDB0000162	1406667	1527394	1452471	1476948	1545203	1443253	365542	311688	315771	359200	337346	314075	191446	194626	223149	214960	210141	223466
Succinic acid_HMDB0000254	16704364	17701484	17075074	17249371	17760596	16847180	3473891	3031668	3148999	3390477	3258528	3062554	239937	260572	281538	274748	271192	287125
Glycine_HMDB0000123	22470787	22921519	22675444	22320810	23445779	24860935	22010677	22374958	21208687	21426226	21170399	20905375	19984275	20605561	21005124	20770571	19665195	21079926
Methylsuccinic acid_HMDB0001844	4244	4312	4029	4091	4084	4484	3954	3732	4960	3744	4254	3199	5194	4427	5912	4755	5888	5683
Glyceric acid_HMDB0000139	70625	71569	61604	69031	66687	89320	86163	80478	82942	112920	100655	89814	73857	65871	61760	58320	56789	72158
Fumaric acid_HMDB0000134	196022	191450	198387	217865	237178	212531	152639	127069	145395	173497	165719	147400	1100785	1022618	1213447	1157325	1136954	1355699
Uracil_HMDB0000300	631087	657385	656615	633981	663188	620570	809964	707246	739501	776782	729026	724938	464107	495429	522650	468175	455564	543310
Pelargonic acid_HMDB0000847	824445	755303	675497	643708	779038	787878	464136	498542	324502	552187	397706	523364	745181	916418	675361	757034	702584	664170
Serine_HMDB0000187	9391229	9856315	9341930	10307641	10561926	9615152	22007802	20542614	21199498	21720910	21536418	21201716	4188742	4051907	4982653	4261165	3961294	4794926
Threonine_HMDB0000167	15083265	14964820	15576169	16063994	15810067	16267057	8863813	7356652	7930112	8784828	8012785	7928298	20846749	20710570	22344681	21960762	21009775	22180137
Mesaconic acid_HMDB0000749	5099	6282	7292	7723	8807	9068	6548	4495	3693	6289	13144	7122	8453	8537	8236	10543	20105	16863
Glutaric acid_HMDB0000661	67917	68659	65144	64278	71809	75546	130214	115482	119281	134319	130380	114608	24396	17748	17598	17073	16990	24653
Hydroquinone_HMDB0002434	8368	9312	6971	7586	6948	7447	5246	4500	4348	5927	5771	4884	9001	8992	9448	7724	7493	8761
Thymine_HMDB0000262	10688	11443	10815	9797	10766	8795	15077	11919	13911	12633	11287	13984	16154	16056	16309	16013	14862	15739
Beta-Alanine_HMDB0000056	1124375	1193809	1254967	1267893	1335449	1621722	1093968	1067890	966092	985070	918285	991529	1471479	1631389	1653159	1660747	1512018	1691193
Homoserine_HMDB0000719	2520	2317	1909	1758	2080	2227	2052	1819	2080	962	935	2416	3406	2819	4006	3818	4089	3424
Capric acid_HMDB0000511	176074	183124	151039	134060	157959	180811	119053	124721	121097	137850	121878	115115	188514	197832	175461	157164	140043	183176
Citramalic acid_HMDB0000426	5287	3945	4164	2911	3772	8972	4107	4696	5510	8459	8695	4138	7784	3810	4745	4488	5993	7328
Malic acid_HMDB0000744	110452	113034	107185	112432	120083	107467	89948	90714	97478	94546	105198	95222	669508	768730	829182	722122	784231	833897
Niacinamide_HMDB0001406	831419	814499	835510	892528	897984	785547	809766	645635	634709	535110	546577	634576	809422	1019800	1132306	998461	980862	1043675
Adipic acid_HMDB0000448	9630	7082	5679	4533	7105	12876	8005	6194	8771	13179	13106	6486	13122	9038	9794	6002	7517	11043
Threitol_HMDB0004136	17937	16450	17426	18206	18267	17047	12716	11169	13296	13917	12061	11881	22859	23127	24504	22740	20264	25328
Erythritol_HMDB0002994	101530	93957	88756	95133	96360	88997	98450	89641	91149	95439	87280	82065	139081	131295	148372	140580	136957	149496
N-Acetylserine_HMDB0002931	362496	360477	358589	373571	379284	381220	181582	148915	146350	173305	153536	151405	671229	731155	831739	735068	719126	820466
Glutamate, gamma-methyl ester_HMDB0061715	14618	7253	15578	16551	14257	11387	12891	11045	11837	14936	14391	13326	41818	23050	37747	31556	39595	41506
Salicylic acid_HMDB0001895	6333	3691	4226	4096	3287	5423	3214	3479	4280	4575	3845	2503	5349	5513	7334	3957	4093	3905
Aspartic acid_HMDB0000191	2069372	2045486	1982522	2359714	2273014	2213081	1245509	1058473	1089699	1190025	1219804	1062533	14054407	14994635	16804529	15476479	14959022	16039951
Methionine_HMDB0000696	598699	585917	600512	628194	598668	627293	405781	347145	364804	392712	361765	369999	821693	798696	937817	894173	820891	916632
4-Hydroxyproline_HMDB0000725	2549433	2553052	2615925	2748309	2677623	2748205	1422103	1174334	1213144	1369253	1221670	1240235	4331720	4347858	5126192	4841744	4471494	4996548
Pyroglutamic acid_HMDB0000267	8455404	8722902	8406005	8984077	8891508	9019973	7897023	6733384	6556847	7568798	6780683	7019505	14070451	15260086	17324998	16418313	15699040	16867488
Cytosine_HMDB0000630	67331	80760	83349	64047	66479	34722	87384	74608	76670	45759	40062	72807	67186	110646	106853	93649	83981	87841
Gamma-Aminobutyric acid_HMDB0000112	620839	695540	660202	667389	728284	722579	1225458	1104857	1067829	1170750	1108021	1095553	604063	726217	781409	693909	702600	765433
Oxalacetic acid_HMDB0000223	693	1046	1473	1317	1424	2114	462	820	569	2278	1620	995	2169	2220	1501	2033	2375	2176
1,2,3-Trihydroxybenzene_HMDB0013674	3902	3775	3794	2656	2112	2427	2494	2833	2896	818	2585	2063	2929	4040	4100	1481	2531	2408
Threonic acid_HMDB0000943	253904	266762	248418	256800	255388	244716	264709	225667	238920	261680	244913	235643	377584	396469	447476	402971	411288	458874
Cysteine_HMDB0000574	3521913	2732253	4158167	4604118	4932494	4111008	3147121	2194272	2537271	2898050	2450904	2532799	4073103	2909811	4438136	4900630	4874651	4588645
2-Hydroxyglutaric acid_HMDB0000694	223326	250189	215852	223404	239776	224819	6374525	5214557	5030258	6057791	5505382	5187520	437352	534560	581853	492258	541086	581896
Creatinine_HMDB0000562	1930596	1357215	2205303	2213554	2310057	1848700	2096988	1067066	1340194	2204919	1846353	1826708	2320974	948125	1956562	2009934	1700950	1389536
3-Hydroxyglutaric acid_HMDB0000428	4361	4964	4391	4740	4877	5499	111524	92880	87247	111333	102662	94517	10582	10148	10917	11333	11739	12637
2-Deoxy-D-ribose_HMDB0245099	3569	2909	5165	3952	4614	5329	2855	1844	1936	3621	2577	2112	5849	3951	6421	6848	5326	5820
Oxoglutaric acid_HMDB0000208	508652	490177	506709	567067	628221	565217	904383	712264	780616	896274	786779	682097	1925559	2107229	2643080	2248080	2218557	2578963
Pimelic acid_HMDB0000857	295	656	501	346	515	1740	302	522	1011	1600	1373	124	1398	658	587	289	655	1133
Phenyllactic acid_HMDB0000779	7125	6123	5608	6167	4997	5324	3938	4608	5842	3272	6114	4543	8722	8927	10320	9126	9005	10701
Phosphoenolpyruvic acid_HMDB0000263	69446	69288	73202	63256	63634	62338	25323	19526	25640	24178	19925	20227	76701	82394	70439	79716	95787	78609
3-Hydroxymethylglutaric acid_HMDB0000355	1407	445	817	798	1481	1391	2437	1902	2903	2441	2577	2347	5526	4455	5934	4546	5632	4529
Glutamic acid_HMDB0000148	19610	24285	22383	24124	24470	22861	17913	15162	14997	19812	17089	16671	77744	77891	85054	82040	77603	88057
Hypotaurine_HMDB0000965	606788	962870	759422	685548	773210	801302	635973	596672	531863	592213	530971	532691	784136	1026435	957087	858229	855313	1008482
Triethanolamine_HMDB0032538	12379	7929	9676	16804	31394	81660	13926	10220	12210	114878	65881	11486	66430	14907	16480	17750	16204	54734
Cadaverine_HMDB0002322	183493	246848	198776	186170	218600	221982	173316	168875	149905	177845	146820	150664	254065	311975	312170	292540	274828	320305
4-Hydroxybenzoic acid_HMDB0000500	3031	4044	5514	3488	4917	2626	3014	2334	4542	5578	4233	3242	5288	3564	4598	3841	4198	5198
5-Aminopentanoic acid_HMDB0003355	263533	278479	273538	279421	297952	276504	265456	225347	227063	255058	239297	227369	338144	356237	391048	367439	355555	401473
2,3-Dihydroxybutanedioic acid_HMDB0059916	33654	31383	27030	15336	22646	23027	36852	47016	46560	18182	54493	41671	51874	45283	28278	47097	59721	50146
Phenylalanine_HMDB0000159	14652629	14395033	14553105	15263679	15131809	15147839	12375960	10484754	11105439	12044863	10985340	11056046	19502375	19178073	20695073	20168730	19745888	20797617
p-Hydroxyphenylacetic acid_HMDB0000020	1633	4036	2599	2617	3098	2666	2753	2276	2221	1753	2543	1649	4393	3376	3585	4169	3177	4707
Dodecanoic acid_HMDB0000638	178334	116534	70069	70527	72506	125476	86286	111573	88760	97077	131390	67429	183619	178164	129777	96258	106281	213036
2-Aminooctanoic acid_HMDB0000991	23511	25036	22889	22240	25059	20775	31646	27371	28237	28345	27655	28108	396361	433543	480247	413788	392042	487600
Xylose_HMDB0000098	3304	4726	2059	1479	2798	1306	2420	4330	5747	1897	880	2696	2752	5391	3237	3565	4284	2288
Arabinose_HMDB0029942	19333	18098	17167	19336	20805	20188	17330	11135	11750	17460	17993	12130	43123	31180	44609	43507	40696	49570
Homocysteine_HMDB0000742	71827	60734	79980	79016	74356	63654	36346	33001	35485	30307	28251	36065	338092	338170	420566	445608	408665	374479
Asparagine_HMDB0000168	162609	145136	204569	210244	216905	171448	508854	388046	419655	399596	390831	426625	3254548	3240366	3950803	3791559	3464318	3724772
N-Acetyl-L-aspartic acid_HMDB0000812	72781	86071	84850	65625	71015	51877	78849	72637	62664	67064	52560	77011	925491	935568	1268270	1297686	1242499	1119128
N-Acetyl-L-methionine_HMDB0011745	607549	607335	1000637	889283	975005	634014	927810	541288	572820	548535	520329	718344	681846	731254	1076967	1096395	1019492	971382
Ribulose_HMDB0000621	28315	14151	17269	29268	33026	49176	19339	12833	19614	28696	31793	14397	30159	6331	8064	13246	13523	28157
Ribose_HMDB0000283	58336	40627	49849	74175	79278	83823	35024	28734	37195	65064	63046	28197	84542	40805	50924	59195	64935	86115
Xylulose_HMDB0001644	31538	15681	20629	33089	37571	56174	18957	13790	21173	31514	32774	14613	34153	5908	9435	14453	12319	29824
3-Sulfinoalanine_HMDB0000996	15123	16886	8218	12449	10186	11567	7128	7569	9885	8010	8018	5370	55235	36935	38790	35010	32904	71496
Taurine_HMDB0000251	2230673	2374348	2425136	2573150	2578973	2351644	2220408	1652521	1691086	1934774	1689498	1890157	2128435	2162505	2727642	2457080	2451548	2688457
N-Formyl-L-Methionine_HMDB0001015	330350	354497	374802	381380	393733	352076	345435	253540	262670	295691	249652	283489	316208	333669	407923	367790	369954	405252
Xylitol_HMDB0002917	10372	8537	9617	9918	12038	10071	4552	3965	4236	5746	4448	3125	6671	5375	4942	5697	5492	7970
Levoglucosan_HMDB0000640	176905	173053	170382	174248	183617	218007	121563	130908	131292	145213	155174	121100	325848	247028	303867	239505	274922	378329
Glyceraldehyde 3-phosphate_HMDB0001112	17118	8685	16661	12541	16749	18627	3247	4739	2620	3862	2298	1125	64646	10033	14584	14505	20091	55636
Beta-Glycerophosphoric acid_HMDB0002520	26811	33169	33443	34351	23586	28064	39251	28984	27601	35565	30386	31932	24344	20964	27913	29309	20987	27693
Arabitol_HMDB0000568	91898	90393	79298	82169	84074	80875	40348	33915	45472	41560	45427	35262	78498	73117	75804	70925	73828	92798
Ribitol_HMDB0000508	277797	292277	268231	274628	268027	252319	161220	141203	161528	156055	155694	148416	237998	212235	243397	234161	233765	263918
cis-Aconitic acid_HMDB0000072	5396	5450	5404	5774	7259	6390	4696	3658	4309	5149	4994	4297	38175	35763	41111	37728	37743	42379
2-Deoxyglucose_HMDB0062477	214061	247657	222894	234747	228218	207804	138145	122066	138551	130571	131405	134233	202691	194230	217264	215710	216762	225993
Fucose_HMDB0029196	8404	1216	3737	6083	6267	8462	6728	4340	4190	2676	3993	4817	11341	5896	6298	8328	7482	8654
Dihydroxyacetone phosphate_HMDB0001473	256599	121147	222965	338959	426080	565168	27994	25201	33649	100561	61217	18055	1033746	147043	273449	390748	462828	997863
Putrescine_HMDB0001414	40443	29671	48706	48405	60016	55048	17840	21300	16726	12792	21900	8568	103061	34377	54488	57214	74202	100490
Glycerol 3-phosphate_HMDB0000126	1419427	1609405	1917317	1447753	1677421	1510124	4016648	2871315	2936539	3702864	3187106	3155696	1748042	1753027	1916275	1789604	1813825	1926275
Glutamine_HMDB0000641	14226654	13301244	14571488	14740370	14435201	13912094	11188093	8778603	10508216	10793388	9949001	9649966	21394225	20071885	21663236	21139852	20483813	21693393
3-Dehydroshikimic acid	9295	8382	8831	9016	9794	8482	8600	6527	7175	6860	6156	5582	18950	14261	18949	18869	19671	18727
N-Acetyl-L-glutamic acid_HMDB0001138	24331	31806	27045	28304	31292	28485	44139	34995	34961	41995	35796	37316	148454	177427	185139	170865	179893	190057
2-Phosphoglyceric acid_HMDB0000362	16174	16793	18050	15522	17925	16138	5969	6177	5483	5287	4067	6784	16253	15611	16044	17311	18778	14332
Azelaic acid_HMDB0000784	6224	4874	5656	4589	6960	8892	6453	5724	6750	9629	8579	4156	11426	7817	8056	6001	5711	12002
Theanine_HMDB0034365	1999	4610	4834	4584	1753	4688	3602	1389	7217	7641	7276	4745	5233	3671	4914	2496	3055	5738
O-Phosphoethanolamine_HMDB0000224	9016	10075	9202	9533	10812	13543	11505	11429	9358	11812	12180	10198	11670	14086	15019	14466	15007	16774
3-Phosphoglyceric acid_HMDB0000807	165673	151042	152573	126535	128791	115899	47726	53194	54619	49516	42669	46366	136878	138297	96956	120930	145076	107442
2-Aminoheptanedioic acid_HMDB0034252	78396	77464	68703	78931	76378	78182	48312	46334	52294	63159	82713	55658	561963	598874	645857	587804	626768	699087
Isocitric acid_HMDB0000193	29246	23819	27751	28183	31924	25641	18036	16798	19730	17006	15889	17717	181065	186042	192907	168868	187321	198331
Citric acid_HMDB0000094	272556	292477	285279	311856	292059	303195	195397	180990	189097	226886	290535	197959	2144642	2230907	2388666	2178236	2338528	2632620
Arginine_HMDB0000517	189461	177439	136295	136920	127697	125141	124955	113634	146929	111261	121271	113197	318431	308932	310512	265526	275960	291040
Ornithine_HMDB0000214	1224335	976503	968076	942465	977626	938432	801504	783436	932486	766801	828309	715554	1786503	1441473	1445632	1483536	1431395	1538709
Glycyl-glycine_HMDB0011733	18263	14776	17412	16478	21743	17137	15654	14162	15673	15470	14276	16877	32771	28571	37165	35369	36472	40786
Dopamine_HMDB0000073	55137	59472	45152	51681	54083	51522	46299	41089	45134	45071	44321	40303	77690	90384	99518	88490	93389	96450
Myristic acid_HMDB0000806	909798	866876	614913	682168	634863	913304	675943	619875	777508	662601	727433	673245	1016708	1068189	1087150	866571	854752	1128506
Methionine sulfone_HMDB0062174	44039	40096	44036	41117	47583	40750	23834	18273	21732	19205	18431	21990	76307	78103	94836	89916	86638	92395
Phosphoserine_HMDB0000272	58750	50173	68469	51998	51730	32809	57598	34480	46305	40244	36981	38682	98001	69605	85960	71054	98561	91996
Fructose_HMDB0000660	1281934	1087233	972721	1021123	1005063	1072811	1321376	1102915	1407729	1348197	1154585	1128331	1841668	1082687	1274903	1489383	1295795	1480296
Sorbose_HMDB0001266	953741	801098	744222	786488	755358	788909	1044977	862208	1048840	1035474	882681	898265	1300062	787840	916385	1082189	991702	1104639
Adenine_HMDB0000034	66096	58618	78922	72578	73106	69499	133999	104066	128892	118675	104938	105090	81865	56855	72602	72949	63062	67998
Hydroxyphenyllactic acid_HMDB0000755	205518	232613	188428	197190	228022	201687	483915	410867	428257	466103	409051	416488	450197	543419	534939	504932	478627	531218
Pyridoxine_HMDB0000239	196765	185119	155439	155697	144607	160114	124767	109052	143911	135117	120801	118604	303219	237309	258266	254651	243421	300012
Glucose_HMDB0000122	9540358	5830169	4884577	4413784	4119091	4642278	6315660	5848587	10198708	7430778	5416268	5814592	18512418	6035532	4504908	9616953	8462112	8775478
N-Acetylglutamine_HMDB0006029	277700	169837	151718	134782	128849	136844	202689	173199	309310	227594	168552	183743	584563	167769	129173	290160	256470	260759
Lysine_HMDB0000182	1596641	1295794	1291363	1267624	1303943	1256308	1216829	1153318	1330994	1082857	1015659	1062448	2316834	1884119	1951030	2055331	2051976	2160336
Tyramine_HMDB0000306	4897636	4186046	4206761	4012963	4126077	3895662	3860197	3679681	4272385	3550906	3249291	3476716	6991655	6065362	6052070	6399509	6480736	6745890
Glucosamine_HMDB0001514	22107	18237	6345	13465	6698	5667	19662	13819	20417	15621	12509	14878	39634	16641	17410	25797	22145	25313
1-Hexadecanol_HMDB0003424	95869	96909	73511	69444	65410	184103	57870	56291	46617	181212	172065	50943	240245	204157	155047	132888	136105	270881
4-Coumaric acid-2TMS	31600	33208	36231	36811	33642	34797	27254	25976	26070	26123	22650	26850	54981	49724	57699	59398	60498	64591
Tyrosine_HMDB0000158	5939924	5756277	5681505	6015190	5891815	5743196	4905494	4162941	4487822	4696752	4308848	4373599	9432250	8947400	10597113	10115895	9645476	10824826
Mannitol_HMDB0000765	61871	54615	48037	57857	46418	58101	56284	53206	72352	77901	68933	50684	124678	92516	91046	85325	93791	114724
(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal_HMDB0141782	2405	3933	2392	3294	2772	3592	1945	1513	2999	2281	2332	2278	4457	3979	6668	5067	5528	6066
Gallic acid_HMDB0005807	187	-6	384	224	84	319	409	95	206	459	92	77	295	205	141	572	341	894
Sorbitol_HMDB0000247	1282219	1269761	1148189	1158980	1047303	1213625	1109720	920440	1443526	1381933	1392915	945014	1476126	886671	961688	967167	911267	1520698
Galactitol_HMDB0000107	1202324	1190077	1086532	1080519	980864	1124949	1047482	855716	1324964	1285934	1306057	897588	1391677	816515	893222	897881	847897	1434074
Indoleacetic acid_HMDB0000197	3111	5335	3679	3062	4329	4937	5496	2588	3890	6342	3403	3207	3590	6170	4861	1919	5444	3780
Pantothenic acid_HMDB0000210	519516	539357	484879	514602	523668	464932	503567	432740	460545	481739	458915	439367	826198	884258	984259	892983	900773	1007638
scyllo-Inositol_HMDB0006088	268440	310431	422635	512461	636627	364619	688949	486409	333109	479466	493284	505041	167497	336037	401171	415526	482578	372996
Palmitoleic acid_HMDB0003229	310815	374208	233732	245598	225892	183737	205456	195183	189396	112295	156842	185246	296830	527913	501088	408354	413767	437207
Xanthine_HMDB0000292	15486	12034	19893	19313	18720	17856	19135	9385	13734	13751	9499	16043	22235	18073	22066	29395	25935	22947
Gluconic acid_HMDB0000625	18891	16798	14863	17488	13991	15875	10369	12937	11266	11230	11546	9656	30938	24772	25337	25746	26614	33716
Palmitic acid_HMDB0000220	4467456	4975329	2667868	3192278	2775950	3764280	2876422	2972434	3107573	2581378	3556781	2667843	5648402	5910333	6027844	4602999	4694446	6899866
p-Octopamine_HMDB0004825	18953	18094	21323	18121	19098	16459	17437	15232	20933	17307	17198	16771	28202	27016	38179	35516	35934	34644
Glucaric acid_HMDB0000663	37034	37313	32374	31955	31117	29374	27092	21531	26940	27514	27302	23161	47032	43070	42416	44771	41202	60159
Uric acid_HMDB0000289	7666	7864	8155	9905	8066	5378	11104	10127	10479	8254	6429	9474	13853	9966	12872	11275	10928	12438
Ribose 5-phosphate_HMDB0001548	103446	117652	121579	115094	120959	123677	77264	54745	57830	80811	74857	63002	142340	125937	146515	128480	141681	168086
Heptadecanoic acid_HMDB0002259	48606	46628	30985	32968	31489	37377	35578	37250	38618	31235	43844	35387	68375	79057	82987	66365	68499	92638
Octadecanol_HMDB0002350	140147	135477	114377	110263	95977	266441	108447	103778	124536	264293	247487	80314	314659	215551	163736	156379	132122	326554
Norepinephrine_HMDB0000216	116516	126037	147957	127270	148999	143853	52368	43792	51485	46254	47418	43111	310961	290483	336434	339575	349943	363480
Glutathione_HMDB0000125	92447	39283	622203	461060	622893	362268	493596	82722	154826	413823	180537	274933	1215079	174376	594120	1440043	1315695	827881
Oleic acid_HMDB0000207	1479468	1530967	878756	976017	816075	935853	969691	1018140	972128	645723	967030	905334	1710001	2179251	2528597	1905743	1994756	2650783
Elaidic acid_HMDB0000573	623591	762385	490591	504038	460290	413795	451888	481708	468242	302999	375250	431189	582246	920546	894230	698327	723695	811109
Cystathionine_HMDB0000099	1940915	1726293	1740955	1847099	1782186	1731682	742185	613301	662450	558758	603071	641483	3745841	3444930	4471531	3976939	3511458	4315206
Stearic acid_HMDB0000827	2831780	2961003	1729442	1961624	1812856	2348475	2096774	2121004	2186171	1640761	2610647	1924086	3824689	4004163	3724072	2817356	2894852	4830533
Tryptophan_HMDB0000929	404272	393016	594101	611210	615663	470980	489391	256831	301013	387771	300738	365537	718608	629658	851962	997927	871029	864647
Tryptamine_HMDB0000303	200889	178775	184783	166748	187358	172255	96152	90052	101622	66064	68165	62411	288466	288853	321101	299497	323352	330419
Mannose 6-phosphate_HMDB0001078	70088	57104	60765	71719	63790	71048	159938	128909	151496	165796	154118	136779	144065	75389	101518	108955	94755	116123
Glucose 6-phosphate_HMDB0001401	241142	183935	180702	210896	180476	227192	501119	388014	525173	531022	509459	406187	506423	266910	306332	352670	297190	403696
Eicosapentaenoic acid_HMDB0001999	64613	69222	47241	52115	40826	31020	66405	57893	57582	35894	32885	69270	49420	72518	81860	57691	52053	96414
Inositol phosphate_HMDB0002985	924385	1021239	1170802	827791	938461	619001	753928	633553	646159	434832	458185	577004	781262	1213475	1194799	948641	1005687	1158645
Saccharopine_HMDB0000279	2819	2234	5128	3840	4764	3682	44361	15618	21155	15053	14241	20424	5319	2376	5559	6763	5876	5604
Uridine_HMDB0000296	102539	88977	85583	81213	85471	79333	98877	72973	105159	83242	67721	74036	79436	58339	72159	66009	79071	88481
Serotonin_HMDB0000259	17055	17646	29232	27528	30085	23378	22768	8036	11741	17916	14136	17637	27813	18767	24416	33059	27537	23540
Stigmasterol_HMDB0000937	309296	201015	1296	61529	1936	355769	46588	143462	102623	186998	444255	65109	577296	243137	476352	146462	238724	908606
Docosahexaenoic acid_HMDB0002183	-6205	-3693	750	1760	2458	1735	2961	-898	-63	1053	-1700	-132	5343	-340	-4877	-2454	-4850	1031
Sedoheptulose 7-phosphate_HMDB0001068	15456	9101	10986	13369	9208	8400	17234	14377	16742	15374	19625	15793	14799	7562	12276	9718	7280	12924
Adenosine_HMDB0000050	34053	31090	31257	28861	29157	43035	32506	30054	27266	26017	25395	26487	46452	46919	46763	42098	52818	52529
Glycerol 1-octadecanoate_HMDB0031075	51968	48859	48504	48070	52720	51486	17996	13518	14672	22404	18250	16533	70256	66324	80206	74966	65211	86433
Sucrose_HMDB0000258	265481	279289	304600	368138	267434	372931	322624	312753	324985	609303	444991	357894	482143	535018	529339	309895	509245	556978
Alpha-Lactose_HMDB0000186	281674	243375	223413	244317	249572	225116	543680	481038	633063	566620	501996	483109	307601	211423	251666	275160	272832	303825
MG(18:0e/0:0/0:0)_HMDB0011143	24762	18993	14564	25646	15270	58348	12985	12480	12376	54367	58359	10713	85287	34322	38006	22477	25434	91939
Maltose_HMDB0000163	13134	14747	11138	12469	13455	11843	7480	7470	10856	9095	7149	9516	32849	22761	28013	29160	29961	29924
Lactitol_HMDB0040937	12027	7718	11013	10660	9782	8569	6291	7825	10004	7817	7239	8849	18472	14756	18459	18732	16912	19299
Xanthylic acid_HMDB0001554	111771	71469	108702	86816	104035	72244	109081	77208	98488	58296	49035	77455	137729	90959	127788	145832	140027	127664
Cholesterol_HMDB0000067	1521744	1701014	1560326	1620328	1674582	1565947	1365455	1182330	1130959	1311499	1283673	1190756	1989359	2226970	2553316	2285907	2291305	2633202
Lathosterol_HMDB0001170	3505	3640	3576	3095	2958	3673	788	1557	2040	1263	1556	1963	6950	6697	7920	8322	7401	7502
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	HMDB ID
ISTD_Valine	N/A
ISTD_Sorbitol	N/A
Dimethylglycine_HMDB0000092	HMDB0000092
Glyoxylic acid_HMDB0000119	HMDB0000119
Pyruvic acid_HMDB0000243	HMDB0000243
Lactic acid_HMDB0000190	HMDB0000190
Alpha-Hydroxyisobutyric acid_HMDB0000729	HMDB0000729
Glycolic acid_HMDB0000115	HMDB0000115
Caproic acid_HMDB0000535	HMDB0000535
Alanine_HMDB0000161	HMDB0000161
Alpha-ketoisovaleric acid_HMDB0000019	HMDB0000019
Oxalic acid_HMDB0002329	HMDB0002329
Hydroxylamine_HMDB0003338	HMDB0003338
2-Hydroxybutyric acid_HMDB0000008	HMDB0000008
Acetoacetic acid_HMDB0000060	HMDB0000060
Hydroxypropionic acid_HMDB0000700	HMDB0000700
3-Hydroxybutyric acid_HMDB0000357	HMDB0000357
(S)-3-Hydroxyisobutyric acid_HMDB0000023	HMDB0000023
2-Hydroxy-3-methylbutyric acid_HMDB0000407	HMDB0000407
Alpha-aminobutyric acid_HMDB0000650	HMDB0000650
3-Methyl-2-oxovaleric acid_HMDB0000491	HMDB0000491
3-Aminoisobutanoic acid_HMDB0003911	HMDB0003911
3-Hydroxyisovaleric acid_HMDB0000754	HMDB0000754
Ketoleucine_HMDB0000695	HMDB0000695
Methylmalonic acid_HMDB0000202	HMDB0000202
Valine_HMDB0000883	HMDB0000883
Urea_HMDB0000294	HMDB0000294
Dihydroxyacetone_HMDB0001882	HMDB0001882
Benzoic acid_HMDB0001870	HMDB0001870
N-Acetyl-L-alanine_HMDB0000766	HMDB0000766
Caprylic acid_HMDB0000482	HMDB0000482
Glycerol_HMDB0000131	HMDB0000131
Ethanolamine_HMDB0000149	HMDB0000149
Leucine_HMDB0000687	HMDB0000687
Pipecolic acid_HMDB0000070	HMDB0000070
Phosphoric acid_HMDB0002142	HMDB0002142
Isoleucine_HMDB0000172	HMDB0000172
Maleic acid_HMDB0000176	HMDB0000176
Proline_HMDB0000162	HMDB0000162
Succinic acid_HMDB0000254	HMDB0000254
Glycine_HMDB0000123	HMDB0000123
Methylsuccinic acid_HMDB0001844	HMDB0001844
Glyceric acid_HMDB0000139	HMDB0000139
Fumaric acid_HMDB0000134	HMDB0000134
Uracil_HMDB0000300	HMDB0000300
Pelargonic acid_HMDB0000847	HMDB0000847
Serine_HMDB0000187	HMDB0000187
Threonine_HMDB0000167	HMDB0000167
Mesaconic acid_HMDB0000749	HMDB0000749
Glutaric acid_HMDB0000661	HMDB0000661
Hydroquinone_HMDB0002434	HMDB0002434
Thymine_HMDB0000262	HMDB0000262
Beta-Alanine_HMDB0000056	HMDB0000056
Homoserine_HMDB0000719	HMDB0000719
Capric acid_HMDB0000511	HMDB0000511
Citramalic acid_HMDB0000426	HMDB0000426
Malic acid_HMDB0000744	HMDB0000744
Niacinamide_HMDB0001406	HMDB0001406
Adipic acid_HMDB0000448	HMDB0000448
Threitol_HMDB0004136	HMDB0004136
Erythritol_HMDB0002994	HMDB0002994
N-Acetylserine_HMDB0002931	HMDB0002931
Glutamate, gamma-methyl ester_HMDB0061715	HMDB0061715
Salicylic acid_HMDB0001895	HMDB0001895
Aspartic acid_HMDB0000191	HMDB0000191
Methionine_HMDB0000696	HMDB0000696
4-Hydroxyproline_HMDB0000725	HMDB0000725
Pyroglutamic acid_HMDB0000267	HMDB0000267
Cytosine_HMDB0000630	HMDB0000630
Gamma-Aminobutyric acid_HMDB0000112	HMDB0000112
Oxalacetic acid_HMDB0000223	HMDB0000223
1,2,3-Trihydroxybenzene_HMDB0013674	HMDB0013674
Threonic acid_HMDB0000943	HMDB0000943
Cysteine_HMDB0000574	HMDB0000574
2-Hydroxyglutaric acid_HMDB0000694	HMDB0000694
Creatinine_HMDB0000562	HMDB0000562
3-Hydroxyglutaric acid_HMDB0000428	HMDB0000428
2-Deoxy-D-ribose_HMDB0245099	HMDB0245099
Oxoglutaric acid_HMDB0000208	HMDB0000208
Pimelic acid_HMDB0000857	HMDB0000857
Phenyllactic acid_HMDB0000779	HMDB0000779
Phosphoenolpyruvic acid_HMDB0000263	HMDB0000263
3-Hydroxymethylglutaric acid_HMDB0000355	HMDB0000355
Glutamic acid_HMDB0000148	HMDB0000148
Hypotaurine_HMDB0000965	HMDB0000965
Triethanolamine_HMDB0032538	HMDB0032538
Cadaverine_HMDB0002322	HMDB0002322
4-Hydroxybenzoic acid_HMDB0000500	HMDB0000500
5-Aminopentanoic acid_HMDB0003355	HMDB0003355
2,3-Dihydroxybutanedioic acid_HMDB0059916	HMDB0059916
Phenylalanine_HMDB0000159	HMDB0000159
p-Hydroxyphenylacetic acid_HMDB0000020	HMDB0000020
Dodecanoic acid_HMDB0000638	HMDB0000638
2-Aminooctanoic acid_HMDB0000991	HMDB0000991
Xylose_HMDB0000098	HMDB0000098
Arabinose_HMDB0029942	HMDB0029942
Homocysteine_HMDB0000742	HMDB0000742
Asparagine_HMDB0000168	HMDB0000168
N-Acetyl-L-aspartic acid_HMDB0000812	HMDB0000812
N-Acetyl-L-methionine_HMDB0011745	HMDB0011745
Ribulose_HMDB0000621	HMDB0000621
Ribose_HMDB0000283	HMDB0000283
Xylulose_HMDB0001644	HMDB0001644
3-Sulfinoalanine_HMDB0000996	HMDB0000996
Taurine_HMDB0000251	HMDB0000251
N-Formyl-L-Methionine_HMDB0001015	HMDB0001015
Xylitol_HMDB0002917	HMDB0002917
Levoglucosan_HMDB0000640	HMDB0000640
Glyceraldehyde 3-phosphate_HMDB0001112	HMDB0001112
Beta-Glycerophosphoric acid_HMDB0002520	HMDB0002520
Arabitol_HMDB0000568	HMDB0000568
Ribitol_HMDB0000508	HMDB0000508
cis-Aconitic acid_HMDB0000072	HMDB0000072
2-Deoxyglucose_HMDB0062477	HMDB0062477
Fucose_HMDB0029196	HMDB0029196
Dihydroxyacetone phosphate_HMDB0001473	HMDB0001473
Putrescine_HMDB0001414	HMDB0001414
Glycerol 3-phosphate_HMDB0000126	HMDB0000126
Glutamine_HMDB0000641	HMDB0000641
3-Dehydroshikimic acid	N/A
N-Acetyl-L-glutamic acid_HMDB0001138	HMDB0001138
2-Phosphoglyceric acid_HMDB0000362	HMDB0000362
Azelaic acid_HMDB0000784	HMDB0000784
Theanine_HMDB0034365	HMDB0034365
O-Phosphoethanolamine_HMDB0000224	HMDB0000224
3-Phosphoglyceric acid_HMDB0000807	HMDB0000807
2-Aminoheptanedioic acid_HMDB0034252	HMDB0034252
Isocitric acid_HMDB0000193	HMDB0000193
Citric acid_HMDB0000094	HMDB0000094
Arginine_HMDB0000517	HMDB0000517
Ornithine_HMDB0000214	HMDB0000214
Glycyl-glycine_HMDB0011733	HMDB0011733
Dopamine_HMDB0000073	HMDB0000073
Myristic acid_HMDB0000806	HMDB0000806
Methionine sulfone_HMDB0062174	HMDB0062174
Phosphoserine_HMDB0000272	HMDB0000272
Fructose_HMDB0000660	HMDB0000660
Sorbose_HMDB0001266	HMDB0001266
Adenine_HMDB0000034	HMDB0000034
Hydroxyphenyllactic acid_HMDB0000755	HMDB0000755
Pyridoxine_HMDB0000239	HMDB0000239
Glucose_HMDB0000122	HMDB0000122
N-Acetylglutamine_HMDB0006029	HMDB0006029
Lysine_HMDB0000182	HMDB0000182
Tyramine_HMDB0000306	HMDB0000306
Glucosamine_HMDB0001514	HMDB0001514
1-Hexadecanol_HMDB0003424	HMDB0003424
4-Coumaric acid-2TMS	N/A
Tyrosine_HMDB0000158	HMDB0000158
Mannitol_HMDB0000765	HMDB0000765
(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal_HMDB0141782	HMDB0141782
Gallic acid_HMDB0005807	HMDB0005807
Sorbitol_HMDB0000247	HMDB0000247
Galactitol_HMDB0000107	HMDB0000107
Indoleacetic acid_HMDB0000197	HMDB0000197
Pantothenic acid_HMDB0000210	HMDB0000210
scyllo-Inositol_HMDB0006088	HMDB0006088
Palmitoleic acid_HMDB0003229	HMDB0003229
Xanthine_HMDB0000292	HMDB0000292
Gluconic acid_HMDB0000625	HMDB0000625
Palmitic acid_HMDB0000220	HMDB0000220
p-Octopamine_HMDB0004825	HMDB0004825
Glucaric acid_HMDB0000663	HMDB0000663
Uric acid_HMDB0000289	HMDB0000289
Ribose 5-phosphate_HMDB0001548	HMDB0001548
Heptadecanoic acid_HMDB0002259	HMDB0002259
Octadecanol_HMDB0002350	HMDB0002350
Norepinephrine_HMDB0000216	HMDB0000216
Glutathione_HMDB0000125	HMDB0000125
Oleic acid_HMDB0000207	HMDB0000207
Elaidic acid_HMDB0000573	HMDB0000573
Cystathionine_HMDB0000099	HMDB0000099
Stearic acid_HMDB0000827	HMDB0000827
Tryptophan_HMDB0000929	HMDB0000929
Tryptamine_HMDB0000303	HMDB0000303
Mannose 6-phosphate_HMDB0001078	HMDB0001078
Glucose 6-phosphate_HMDB0001401	HMDB0001401
Eicosapentaenoic acid_HMDB0001999	HMDB0001999
Inositol phosphate_HMDB0002985	HMDB0002985
Saccharopine_HMDB0000279	HMDB0000279
Uridine_HMDB0000296	HMDB0000296
Serotonin_HMDB0000259	HMDB0000259
Stigmasterol_HMDB0000937	HMDB0000937
Docosahexaenoic acid_HMDB0002183	HMDB0002183
Sedoheptulose 7-phosphate_HMDB0001068	HMDB0001068
Adenosine_HMDB0000050	HMDB0000050
Glycerol 1-octadecanoate_HMDB0031075	HMDB0031075
Sucrose_HMDB0000258	HMDB0000258
Alpha-Lactose_HMDB0000186	HMDB0000186
MG(18:0e/0:0/0:0)_HMDB0011143	HMDB0011143
Maltose_HMDB0000163	HMDB0000163
Lactitol_HMDB0040937	HMDB0040937
Xanthylic acid_HMDB0001554	HMDB0001554
Cholesterol_HMDB0000067	HMDB0000067
Lathosterol_HMDB0001170	HMDB0001170
METABOLITES_END
#END