metabolite_name	WT_8	WT_3	WT_6	WT_4	WT_7	FN3K_6	FN3K_8	FN3K_2	WT_5	FN3K_5	FN3K_1	WT_1	WT_10	FN3K_3	WT_9	FN3K_9	WT_2	FN3K_4	FN3K_10
Alanine	2.981692718	2.768456234	2.787890084	2.104360804	2.760569382	3.430702819	2.944202058	2.451538459	2.694996376	2.99539357	2.422030109	2.832610263	3.016495971	2.746218282	3.097994958	2.706942717	2.838631282	2.626320142	2.81141936
Aspartate	0.410103271	0.419811832	0.390989953	0.345777216	0.447692155	0.392297335	0.3296134	0.319563458	0.486959561	0.345030529	0.293318016	0.387924805	0.437946295	0.301772002	0.417404579	0.327331264	0.428020283	0.336385623	0.352964773
Citrate	0.218516589	0.222852825	0.237023037	0.187869171	0.23652832	0.222839469	0.219180411	0.239702845	0.233953437	0.229290629	0.198724986	0.20905269	0.22845993	0.224264692	0.240465576	0.217706484	0.234894309	0.21467564	0.242730767
Creatine	0.633841122	0.634097324	0.605043951	0.473109288	0.660891785	0.862394439	0.748985086	0.653872995	0.621831468	0.696168237	0.619083529	0.600151643	0.640506923	0.653782785	0.607636916	0.71917648	0.602528957	0.784082434	0.785590151
Phosphocreatine	0.701835784	0.667349853	0.68979943	0.512793746	0.70877833	0.72505216	0.606449289	0.509757617	0.69368232	0.600978665	0.490033455	0.634703237	0.708475553	0.515178043	0.691097963	0.572225799	0.692281985	0.613442065	0.611796665
Glutamine	0.249427243	0.263731105	0.25985169	0.261571873	0.27288102	0.332971962	0.296007726	0.278137281	0.280854832	0.317007234	0.259245155	0.243959723	0.267587569	0.261752489	0.271462959	0.276801311	0.27850131	0.262131291	0.290289459
Glutathione	0.381607933	0.481386015	0.403171579	0.317016532	0.519547869	0.68433292	0.550460555	0.569221371	0.494780783	0.497492975	0.494030409	0.385662945	0.417793574	0.539639893	0.41716552	0.552103174	0.40542356	0.535918241	0.665265906
Glycine	1.742839829	1.520637771	1.691530605	1.528318035	1.556575656	1.413275116	1.235137688	1.028618768	1.75158038	1.199425902	1.010392359	1.617028346	1.721441497	1.038183581	1.669551019	1.150143413	1.747919361	1.086614542	1.202101621
Glucose	0.043303334	0.066684205	0.112892954	0.238827233	0.034090993	0.002395077	0.027418423	0.148611841	7.67606E-05	0.191738896	0.103412902	0.095009364	0.062973641	0.047357505	0.060140254	0.055020737	0.093690537	0.044208166	0.045891113
Glutamate	1.12817836	1.080825559	1.12578975	0.942676484	1.152561114	1.317046974	1.15229046	1.003791147	1.210828148	1.070359296	0.94776317	1.079400546	1.164317148	0.999546457	1.137602185	1.1270242	1.13889067	1.070337646	1.177678519
Lactate	2.014032088	1.524100726	1.775239579	2.300661444	1.089702057	2.127918025	2.389833894	2.076188196	1.145279886	2.454374163	2.130961185	1.63219384	1.338346724	2.39645173	1.69790277	1.756506653	1.467111425	1.919993693	1.753430679
Leucine	0.898291863	0.827762928	0.951359532	1.108863296	0.723137946	0.680266836	0.802589599	0.972997835	0.690603384	1.033549455	0.882951523	0.915918703	0.864638415	0.88286812	0.898539717	0.836377953	0.912509897	0.795412231	0.721568476
Lysine	0.140146087	0.122898685	0.144146197	0.156191195	0.114719454	0.147390791	0.150562975	0.154861991	0.108300187	0.163672623	0.152054337	0.146471509	0.13912535	0.152978088	0.141713295	0.154621207	0.143458753	0.144756585	0.146019832
Pantothenate	0.398870578	0.373320159	0.399950986	0.376520535	0.358020181	0.367572605	0.360939252	0.343415633	0.382733725	0.339050933	0.335260961	0.385811948	0.39612007	0.349995365	0.401928244	0.349180534	0.425125342	0.350287822	0.37937222
Putrescine	0.148889244	0.130887978	0.15164139	0.153663943	0.123720713	0.163540569	0.175032575	0.146286962	0.127018894	0.172117135	0.177418984	0.170752921	0.15837373	0.161369809	0.15058227	0.176459739	0.147404645	0.17392252	0.164234681
Proline	0.116174463	0.111191334	0.114898035	0.108373086	0.122700722	0.14684803	0.131162154	0.112825168	0.124410212	0.131052472	0.108096018	0.105211014	0.111572915	0.116446355	0.11410568	0.125062852	0.111759319	0.118523091	0.127372285
Serine	0.982821747	0.984854377	0.925369892	0.815407111	1.01175685	0.911287808	0.767509892	0.695267117	1.065808972	0.762951436	0.670858482	0.938595724	1.018477742	0.70258212	1.014620204	0.734183571	1.005340956	0.733447249	0.810286818
Thioacetamide	0.106238298	0.141525729	0.117098097	0.102200056	0.155293052	0.174867799	0.151890211	0.155217566	0.151421115	0.145263141	0.142999069	0.112646666	0.117655293	0.143579731	0.116077431	0.147843948	0.118108584	0.141888225	0.175943913
Threonine	1.030904538	1.013817893	0.998065179	1.019230459	0.893891641	1.212399732	1.120187845	1.04191453	0.925663877	1.206012051	0.946104903	0.91577537	0.914533662	1.010365024	1.011397794	0.947783832	0.947122042	0.98709332	1.08003211
UDP GlcNAc	0.045871676	0.057238406	0.040964902	0.04706478	0.058775464	0.049685544	0.034007968	0.02719107	0.063103679	0.027285423	0.029051853	0.04252343	0.052938655	0.028571398	0.046170022	0.031228182	0.043499819	0.037663177	0.05416819
Valine	0.541326839	0.508692502	0.557433012	0.636414949	0.470176174	0.484861012	0.509485953	0.558073237	0.457301834	0.622489546	0.520780699	0.543918074	0.538618139	0.536646642	0.552233614	0.497280117	0.562558758	0.471065452	0.458084753
Glycerophosphocholine	0.628261817	0.574657757	0.618999813	0.574007035	0.599897473	0.657523364	0.574596795	0.472066415	0.687751141	0.545834501	0.443930722	0.566088014	0.623288069	0.482758171	0.628226889	0.5319513	0.647571939	0.535340266	0.571656638
Keto-methylvalerate	0.127141849	0.114632093	0.125355326	0.145173765	0.100777374	0.130530876	0.130677771	0.13129391	0.081262155	0.138397834	0.147673117	0.12194558	0.114802915	0.150500092	0.121111169	0.122636028	0.116796573	0.133706926	0.123795741
Formate	0.092440939	0.074102962	0.086742249	0.083943437	0.067955656	0.065851987	0.062009736	0.053435833	0.07743505	0.07160005	0.060380588	0.086044389	0.075678487	0.058525585	0.079190186	0.05173717	0.080462658	0.053242894	0.053795383

metabolite_name	HMDB	PubChem	ChEBI	KEGG	METLIN	SMILES	Quantified feature ppm
Alanine	HMDB0000161	5950	16977	C00041	-	C[C@H](N)C(O)=O	1.47
Aspartate	HMDB0000191	5960	17053	C00049	5206	N[C@@H](CC(O)=O)C(O)=O	2.79
Citrate	HMDB0000094	311	30769	C00158	124	OC(=O)CC(O)(CC(O)=O)C(O)=O	2.65
Creatine	HMDB0000064	586	16919	C00300	7	CN(CC(O)=O)C(N)=N	3.92
Phosphocreatine	HMDB0001511	587	17287	C02305	6288	CN(CC(=O)O)C(=NP(=O)(O)O)N	3.94
Glutamine	HMDB0000641	5961	18050	C00064	5614	N[C@@H](CCC(N)=O)C(O)=O	2.45
Glutathione	HMDB0000125	3353	16856	C00051	-		4.56
Glycine	HMDB0000123	750	15428	C00037	20	NCC(O)=O	3.55
Glucose	HMDB0000122	5793	4167	C00031	133	OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O	5.23
Glutamate	HMDB0000148	33032	16015	C00025	5174	N[C@@H](CCC(O)=O)C(O)=O	2.05
Lactate	HMDB0000190	107689	422	C00256	6150	C[C@@H](C(=O)O)O	1.32
Leucine	HMDB0000687	6106	15603	C00123	24	CC(C)C[C@H](N)C(O)=O	0.95
Lysine	HMDB0000182	5962	18019	C00047	5200	NCCCC[C@H](N)C(O)=O	1.89
Pantothenate	HMDB0000210	6613	46905	C00864	-	CC(C)(CO)[C@@H](O)C(=O)NCCC(O)=O	0.89
Putrescine	HMDB0001414	3434	17148	C00134	-		1.79
Proline	HMDB0000162	145742	17203	C00148	29	OC(=O)[C@@H]1CCCN1	3.33
Serine	HMDB0000187	3982	17822	C00716	-		3.97
Thioacetamide	-	2723949	32497	C19302	-	CC(=S)N	2.52
Threonine	HMDB0000167	6288	16857	C00188	32	C[C@@H](O)[C@H](N)C(O)=O	1.32
UDP GlcNAc	HMDB0000290	445675	16264	C00043	5281	CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(=O)NC1=O	5.51
Valine	HMDB0000883	6287	16414	C00183	5842	CC(C)[C@H](N)C(O)=O	0.98
Glycerophosphocholine	HMDB0000086	71920	16870	C00670	370	C[N+](C)(C)CCOP([O-])(=O)OC[C@@H](O)CO	3.22
Keto-methylvalerate	HMDB0000491	47	35932	C03465	5478	CCC(C)C(=O)C(O)=O	1.09
Formate	HMDB0000142	284	30751	C00058	3202	OC=O	8.45