Metabolite_name	RefMet_name	L-isoleucine 1	L-isoleucine 2	L-isoleucine 3	PBS 1	PBS 2	PBS 3
Factors	-	Group:L-isoleucine	Group:L-isoleucine	Group:L-isoleucine	Group:PBS	Group:PBS	Group:PBS
1-Methylnicotinamide	1-Methyl nicotinamide	4249390	2863372	2777217	4635830	3562369	3421097
2_3-Diphosphoglyceric acid	2,3-Diphosphoglyceric acid						
3-Hydroxybutyric acid	3-Hydroxybutyric acid	1942468	2452051	2141340	2813537	3500328	2316222
3-Phosphoglyceric acid	3-Phosphoglyceric acid	282093	327558	146408	172429	226270	232587
4_5-Dihydroorotic acid	4,5-Dihydroorotic acid	23746	22340		24727		36447
4-Hydroxyproline	cis-4-Hydroxyproline	8803071	9408142	6465230	10564256	8091488	13279929
5^-Methylthioadenosine	5'-Methylthioadenosine	8973991	8043298	7062992	8193215	8593253	12044370
5-Phosphoribosylamine	5-Phosphoribosylamine		10869				
6-Phosphogluconic acid	6-Phosphogluconic acid	17751	18977	12085	16899	16416	33106
Acetoacetic acid	Acetoacetic acid	1460125	1213765	951267	1329576	1290384	1421756
Acetyl-CoA	Acetyl-CoA	67917					
Acetylcysteine	N-Acetylcysteine	74548	115898	198837	135425	97648	350873
Adenine	Adenine	83246392	76494512	77880056	88142400	84732496	81453808
Adenosine	Adenosine	671242688	651015104	610686272	701713024	683250048	670434240
Adenosine diphosphate ribose	ADP-ribose	20692	12308	33185	17502	16728	34444
Adenosine monophosphate	AMP	22167626	24772412	26533096	35229224	43344572	52479668
Adenosine triphosphate	ATP	81343	94551	65399	73145	78238	99313
Adenylsuccinic acid	Adenylsuccinic acid	175204	219253	212402	398024	428242	469944
ADP	ADP	2068797	2646324	2166823	2741345	2835510	3590616
Allantoin	Allantoin	1767438	1620240	1622055	1622678	1486903	1591407
Aminoadipic acid	Aminoadipic acid	526769	342537	345955	449928	415904	421425
Argininosuccinic acid	Argininosuccinic acid	137184	140519	131999	144168	126367	147442
Beta-Alanine	beta-Alanine	13271733	14381044	10118144	12678376	11905221	13344714
Betaine	Betaine	604121920	429970400	377316928	452135840	422163648	475783424
Butyrylcarnitine	CAR 4:0	19926424	15704778	12651025	22153812	23200970	17129492
Carbamoyl phosphate	Carbamoylphosphate	2099359	2168751	2019106	2193320	2203592	2346300
Carnosine	Carnosine	9270963	9280964	7661969	9905975	8222194	7898454
CDP	CDP	60896	56641	43636	67820	47997	55959
Choline	Choline	720862	575122	542750	746582	663091	661368
cis-Aconitic acid	cis-Aconitic acid	2577777	2727502	2324350	2634226	2257640	3983312
Citric acid	Citric acid	32668446	31040678	27308106	34585700	27886548	42398588
Citrulline	Citrulline	38162784	39763436	38163084	40800616	36428712	41802860
Creatine	Creatine	2139475200	2066985728	2347261184	2157418496	2144221440	2193171456
Creatinine	Creatinine	52159168	41663524	37787008	47590344	42504876	48190316
Cyclic AMP	3',5' cyclic AMP	61642	72184	64951	58156	61097	104148
Cytidine	Cytidine	13815188	11644981	9740854	11580956	10083112	12068753
Cytidine monophosphate	CMP	1420778	1662060	1495719	1903435	2037192	2254936
Cytidine triphosphate	CTP						
Cytosine	Cytosine						
D-2-Hydroxyglutaric acid	D-2-Hydroxyglutaric acid	10156437	10127568	10459637	10581814	11723587	14084360
D-Glucose	Glucose	406158	307895	243837	334106	266379	157164
D-Glyceraldehyde 3-phosphate	Glyceraldehyde 3-phosphate	635898	537435	284969	592030	501833	326762
Dihydrofolic acid	Dihydrofolic acid						
Dihydroxyacetone phosphate	Dihydroxyacetone phosphate	714110	551120	278415	589966	488559	335261
D-Ribose 5-phosphate	Ribose 5-phosphate	821397	1014485	901018	778795	1022638	835045
D-Sedoheptulose 7-phosphate	D-Sedoheptulose 7-phosphate	1093804	1061017	967674	1320233	1584729	2144290
dTDP	dTDP					13788	
FAD	FAD	33180	35114	31358	35940	35126	45221
Folic acid	Folic acid						
Fructose 1_6-bisphosphate	Fructose 1,6-bisphosphate	48699	34138	33090	44521	34541	70577
Fructose 6-phosphate	Fructose 6-phosphate	3834442	700530	1375895	1242128	1579466	3843600
Fumaric acid	Fumaric acid	7780646	7419650	6524558	7062854	7081206	6358326
Glucose 6-phosphate	Glucose 6-phosphate	1633371	1603117	1774589	1899608	2155604	3951443
Glutathione	Glutathione	18172562	22073482	16528939	13958232	13316762	
Glycerol 3-phosphate	sn-Glycero-3-phosphate	14595171	11274823	10616502	13175567	10405906	10874453
Glycine	Glycine	14482960	14835672	13146725	13446512	13766066	14125195
Guanidoacetic acid	Guanidoacetic acid	38691744	50616728	31566580	44266984	23038106	37663376
Guanine	Guanine	116892304	105537248	97032512	95830144	84810168	96635304
Guanosine	Guanosine	25754032	23954416	19821026	21928268	21668552	18762114
Guanosine diphosphate	GDP	328575	369201	252377	336102	304869	337912
Guanosine monophosphate	GMP	8462942	9357850	10413250	12436119	14257473	15013494
Guanosine triphosphate	GTP	14126	12888		14471		
Homocysteine	Homocysteine	15153	15098	13704	15919	12583	16663
Hypotaurine	Hypotaurine	56292332	67908848	57580504	60985584	41285836	81991840
Hypoxanthine	Hypoxanthine	370240544	337836000	294658144	315647808	276949536	303414080
Inosine	Inosine	32524910	34586652	25885574	27504282	26595778	28834710
Inosinic acid	IMP	361805	690707	592513	537142	632003	1601149
L-Acetylcarnitine	CAR 2:0	378421344	344848192	273062624	350004160	421838592	332630624
L-Alanine	Alanine	28017554	27517926	27770236	26928612	27168492	26577286
L-Arginine	Arginine	20584814	14981508	15957908	19267802	16490404	16037659
L-Asparagine	Asparagine	3808000	3946038	3255908	3574364	4074160	3968505
L-Aspartic acid	Aspartic acid	56184080	52250672	47420456	51364520	54353256	56433260
L-Carnitine	Carnitine	811192896	684923968	585865472	736363008	679726976	756743232
L-Cystathionine	Cystathionine	2642399	2350286	2088639	2441014	2330690	2530474
L-Cysteine	Cysteine						
L-Cystine	Cystine						49977
L-Glutamic acid	Glutamic acid	66898100	70089800	68031760	73400824	70128008	81068560
L-Glutamine	Glutamine	385018592	395980000	365262976	393044704	396838208	379921280
L-Histidine	Histidine	49101808	61957700	50802004	54920856	51775900	54777488
L-Isoleucine	Isoleucine	28581514	25268470	21279226	26684316	31188894	26967100
L-Kynurenine	Kynurenine	263747	158413	170717	233315	210201	177412
L-Lactic acid	Lactic acid	269218624	269157600	209358032	268875168	242419216	262065760
L-Leucine	Leucine	22274654	23812256	22030314	26841148	28208258	22457300
L-Lysine	Lysine	27671210	18663348	20940600	27695128	24462844	24473440
L-Malic acid	Malic acid	83756904	81134728	71607232	77798400	79644560	73069792
L-Methionine	Methionine	94893912	75555376	71489640	86296272	76928088	84796032
L-Phenylalanine	Phenylalanine	161306400	126483168	151517280	170115440	148272416	175530400
L-Proline	Proline	409929984	393898688	368377984	379826336	415305088	421982080
L-Serine	Serine	18229188	18815044	15711841	19367272	15587901	18408308
L-Threonine	Threonine	3719369	3659611	2650220	3288722	3031066	3757657
L-Tryptophan	Tryptophan	80530448	65921188	61259336	85367928	61234424	71711680
L-Tyrosine	Tyrosine	198778336	158700144	152740800	177376048	160500496	169280752
L-Valine	Valine	41066172	39090104	32330998	41152724	38683484	37911940
N6-Acetyl-L-lysine	N6-Acetyllysine						
N-Acetylglutamic acid	N-Acetylglutamic acid	257369	398983	245573	281585	319748	287669
N-Acetylglutamine	N-Acetylglutamine	1112962	784954	955111	1158574	1220494	1163992
N-Acetyl-L-alanine	N-Acetylalanine	1132596	995509	783137	1021278	794609	930358
N-Acetyl-L-methionine	N-Acetylmethionine	294783	289541	181349	213617	227100	176247
N-Acetyl-L-phenylalanine	N-Acetylphenylalanine	377111	279092	368527	438353	288825	263076
N-Acetylornithine	N-Acetylornithine	294753	178699	158734	220498	266276	209717
N-Acetylserine	N-Acetylserine	4570092	4176326	3092084	4484424	3736331	4821056
NAD	NAD	742623	759100	840526	1061483	1148056	817346
NADH	NADH	26996	31014	27095	37120	40206	27581
NADP	NADP	97246	95534	77376	111672	84198	102144
NADPH	NADPH						
Niacinamide	Niacinamide	420984608	407195584	399931520	387290240	394347840	439666080
Nicotinic acid	Nicotinic acid				28839	26502	30977
O-Phosphoethanolamine	Phosphoethanolamine	15151705	13969881	13022355	15939495	15435910	16343020
Ornithine	Ornithine	3302452	3256602	2726025	3727926	2999114	3367523
Orotic acid	Orotic acid	82255	104052	62050	124166	79501	229893
Orotidylic acid	Orotidylic acid					32358	
Oxidized glutathione	Oxidized glutathione	10031442	7770010	7997618	11046459	9813726	16811650
Oxoadipic acid	Oxoadipic acid						
Oxoglutaric acid	2-Oxoglutaric acid	136539	155272	122377	155222	174454	525512
Palmitic acid	Palmitic acid	9233180	12253842	19292610	24043662	79991192	65985864
Pantothenic acid	Pantothenic acid	28664986	25615306	21824172	26532986	26991144	29669090
Phenol	Phenol						
Phosphocreatine	Phosphocreatine	513842	222393	202683	382459	245577	250369
Phosphoenolpyruvic acid	Phosphoenolpyruvic acid	879442	773103	524715	595539	620190	1106507
Phosphoribosyl pyrophosphate	Phosphoribosyl pyrophosphate						
Phosphorylcholine	Choline phosphate	854369920	693303808	584894208	765639040	695561920	819299584
Phosphoserine	Phosphoserine					10878	12892
Pipecolic acid	Pipecolic acid	14439983	12418024	12369291	13908488	15427647	13522105
Propionylcarnitine	CAR 3:0	16719592	11420047	9066338	12511647	13065424	13619304
Pyruvic acid	Pyruvic acid	569365	536204	476600	604959	609902	606438
Ribose 1-phosphate	Ribose 1-phosphate	1979096	2200607	2065145	2247784	2554705	2338502
Saccharopine	Saccharopine	66466	40197	54273	53502	78313	52352
S-Adenosylhomocysteine	S-Adenosylhomocysteine	913279	835017	729116	1022091	970745	1185353
S-Adenosylmethionine	S-Adenosylmethionine	3230051	2976122	3309104	2811616	3658221	3281404
Sarcosine	Sarcosine	2364109	3034935	2780678	2561350	2395074	2683546
Succinic acid	Succinic acid	8813557	9346692	10005264	11812261	14063670	11648768
Taurine	Taurine	472701664	444544832	439155616	459129824	500327808	480981184
Thymidine	Thymidine	545556	351938	354332	509427	496505	442047
Uracil	Uracil	7026970	7109172	5222488	6203316	5475362	6149857
Ureidopropionic acid	Ureidopropionic acid	2841595	2494395	2215581	2530961	2553499	2556492
Ureidosuccinic acid	N-Carbamoylaspartic acid	16491	17918		22725	13612	17279
Uric acid	Uric acid						
Uridine	Uridine	11296742	11204658	8703716	10407844	8945147	9985778
Uridine 5^-diphosphate	UDP	1508570	1368388	1028489	1456240	1242796	1893581
Uridine 5^-monophosphate	UMP	7177066	9345739	9861106	11710335	12951104	13934011
Uridine diphosphate glucose	UDP-glucose	12686967	10884087	8248676	11232975	9208108	9100103
Uridine diphosphate-N-acetylglucosamine	UDP-N-acetylglucosamine	989443	981749	793194	910389	1015516	1127594
Uridine triphosphate	UTP	16897	16319	11852	16007	11640	13509
Valerylcarnitine	CAR 5:0	5589399	4148155	3727842	5713435	7781748	5451185
Xanthine	Xanthine	8118156	8272256	5426721	6637688	4189880	6861037
Xanthosine	Xanthosine	10036					
Xanthylic acid	XMP	263324	174593	135494	233982	217021	373686