Data for (Study ST003427)

(Analysis AN005627)

Values for each metabolite have been scaled by dividing by the mean across all factors

Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this study

Metabolite	F1	F2	F3	F4	F5	F6	F7	F8	F9	F10	F11	F12	F13	F14	F15	F16	F17	F18
aCD 101	NA	2.0749	0.7145	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	0.6195	NA	NA	NA	NA
aCD 161	1.1241	1.4914	0.8323	1.6358	0.5368	1.1774	0.7330	NA	0.7203	0.7655	1.3684	0.6738	0.9414	0.4811	0.7010	2.1447	0.9234	0.5218
Acetic PAR	1.2041	1.3873	1.6481	1.1739	1.3012	2.0921	1.3457	0.3985	0.4356	0.5176	0.3852	0.8108	1.2444	0.2628	0.3427	0.2719	1.0155	0.5720
Acetyl-CoA 303	2.1493	2.3318	1.9428	2.2066	1.6917	2.7027	2.0584	0.0001	0.0002	0.0001	0.0001	0.0002	0.0001	0.0001	0.0002	0.0001	0.0002	0.0002
Acetyl-CoA 408	1.9082	2.0789	1.6088	2.6020	1.3156	2.3247	1.8737	0.0001	0.0001	0.0003	0.0003	0.0002	0.0001	0.0002	0.0002	0.0001	0.0001	0.0001
Acetyl-CoA 428	1.5739	1.3272	1.1188	1.2538	0.9966	1.5916	1.2080	NA	0.0001	0.0004	0.0002	0.0002	0.0001	NA	0.0002	NA	NA	NA
Acetyl-CoA 461	2.0255	2.1775	1.6948	2.0737	1.4041	2.4936	2.0271	0.0003	0.0001	0.0002	0.0001	0.0002	0.0003	0.0001	0.0005	0.0005	0.0001	0.0004
Acetyl-CoA 79	2.1554	2.3583	1.8322	2.2907	1.5008	2.6902	2.1735	0.0007	0.0004	0.0007	0.0006	0.0005	0.0011	0.0006	0.0006	0.0006	0.0008	0.0006
Acyl-L-carnitine (18:2) 85	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Adenosylcobalamin 147	2.5266	2.3388	1.8681	2.5282	0.5851	2.7958	1.7744	0.1045	0.0172	0.0484	0.0783	0.0516	0.0650	0.0429	0.0530	0.0608	0.0631	0.0428
Adenosylcobalamin 341	1.1219	1.5524	0.8760	1.5009	0.2358	0.8269	0.8861	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Alanine NEG PAR	1.9705	2.0389	1.9672	1.9355	2.1318	2.4775	2.0465	0.1374	0.1044	0.0849	0.1264	0.0815	0.1168	0.1112	0.1431	0.0083	0.0359	0.0010
Alanine PARENT POS	1.7515	1.7557	1.8267	1.7004	1.8057	2.0921	1.7688	0.5608	0.4770	0.3263	0.5071	0.2827	0.3757	0.4666	0.5784	0.0146	0.1285	0.0063
Arginine 131	0.9889	0.9867	1.0773	0.8447	2.5991	0.8227	0.9437	0.9865	0.7835	1.0759	1.0011	1.0535	1.1173	1.0136	0.9935	1.1882	0.7836	0.0010
Arginine 156	0.9555	0.9544	1.0596	0.8066	3.0999	0.7849	0.9082	0.9530	0.7492	1.0405	0.9643	1.0236	1.0964	0.9805	0.9541	1.1704	0.7439	0.0010
Ascorbic acid 157	1.9211	2.1464	1.9397	2.0469	1.6450	2.5657	2.0198	0.1317	0.0934	0.0433	0.0916	0.0509	0.0515	0.0473	0.1439	0.0636	0.3142	0.2885
Ascorbic acid 79	2.5883	0.7361	NA	0.8357	0.5347	NA	1.2169	0.9747	1.0123	1.0067	0.5330	0.4202	0.9568	0.5507	1.2357	0.7723	0.7147	3.4573
Asparagine 113	1.5334	1.6399	1.6836	1.5916	1.9485	2.0778	1.6510	0.4223	0.3523	0.4952	0.4184	0.4894	0.5323	0.4633	0.4270	0.6087	0.0997	0.0003
Asparagine 87	1.4454	1.5147	1.5461	1.4892	1.7913	1.8804	1.5093	0.5903	0.4868	0.6436	0.5944	0.6298	0.6884	0.5923	0.6069	0.7016	0.0932	0.0006
Aspartic 115	1.6101	1.6984	1.0047	1.8079	0.7297	1.6210	1.6563	0.6921	0.5614	0.7148	0.6942	0.7212	0.7722	0.7086	0.6819	0.7599	0.2756	0.0011
Aspartic 88	1.5560	1.6158	0.9889	1.6831	0.6914	1.5235	1.5959	0.7450	0.6302	0.7962	0.7537	0.8107	0.8309	0.7968	0.7583	0.8223	0.3188	0.0011
Biotin 227	1.6445	1.5740	1.2556	1.3757	1.2505	1.1983	1.8084	0.7365	0.5933	0.7387	0.7647	0.7045	0.7703	0.7631	0.7284	0.8824	0.0220	0.0012
Butyric PAR	2.3591	2.1997	1.2193	1.9250	0.2330	1.9526	2.5020	0.5417	0.4475	0.0583	0.5079	0.0559	0.0263	0.4220	0.6194	0.0185	0.8571	0.0112
Butyryl-CoA 408	2.0306	2.0998	3.2061	2.0545	0.8513	2.9494	2.0509	0.0017	0.0014	0.0019	0.0016	0.0009	0.0012	0.0008	0.0016	0.0012	0.0013	0.0009
Butyryl-CoA 79	1.9898	2.2076	3.1311	2.0078	0.8332	2.9780	2.0677	0.0030	0.0019	0.0042	0.0021	0.0028	0.0048	0.0024	0.0042	0.0025	0.0020	0.0013
C75 209	1.1534	1.7313	1.6234	1.5775	0.3497	2.1532	0.3744	0.9493	1.2355	1.5726	1.7120	0.1294	0.0755	2.7480	0.2434	0.0230	0.0625	0.0627
Cerulenin 207	0.9214	0.9056	1.3091	1.0032	1.6144	1.7294	1.0500	0.4781	0.4630	0.4336	0.5955	0.4316	0.3358	0.4205	0.5365	0.5474	6.4279	0.2641
Cerulenin 89	1.3742	1.1783	1.8474	1.3436	2.3334	2.4168	1.4206	0.5506	0.5766	0.5374	0.6734	0.5591	0.3579	0.4425	0.5633	0.5519	0.0880	0.1715
Choline 60	0.6217	0.5808	2.3136	0.7177	4.5413	1.1344	0.5181	0.0894	0.0658	0.8160	0.0825	1.4767	1.7389	0.2224	0.0887	0.8276	2.1880	0.0021
Citric 111	NA	NA	NA	NA	4.4869	NA	NA	0.0756	0.0569	NA	0.0795	NA	NA	0.0666	0.0802	NA	NA	0.0282
Citric 173	NA	4.3927	7.2982	0.0750	1.6164	7.9017	7.4166	0.0327	0.0179	0.0309	0.0275	0.0238	0.0317	0.0350	0.0399	0.0213	0.0049	0.0055
Citrulline 113	0.8986	0.9679	1.0116	0.8415	2.5029	0.7733	1.1104	1.2502	0.9840	1.2114	1.1931	1.2003	1.4275	0.9854	1.3396	0.4353	0.1042	0.1496
Citrulline 131	1.2653	1.3035	1.3492	1.2479	2.9596	1.1917	1.3741	0.8118	0.6589	0.7557	0.8285	0.6740	0.8194	0.8097	0.8782	0.3092	0.0544	0.0756
Citrulline 70	0.9404	0.9337	1.0154	0.9057	2.5178	0.7420	1.0752	1.2142	0.8964	1.2590	1.1889	1.1823	1.4301	1.0558	1.3391	0.4524	0.0836	0.0834
Coenzyme A 408	2.4166	2.3729	1.7902	2.4348	1.4771	2.2367	2.1412	0.0008	0.0006	0.0013	0.0004	0.0007	0.0012	0.0013	0.0010	0.0011	0.0006	0.0007
Coenzyme A 79	2.4359	2.4339	1.7376	2.3872	1.5431	2.1763	2.1389	0.0012	0.0016	0.0017	0.0012	0.0022	0.0021	0.0016	0.0011	0.0013	0.0015	0.0012
Cyanocobalamin 147	0.2889	0.3329	0.1785	0.3213	0.3591	0.1425	0.2677	0.6460	0.5291	0.7845	0.5851	0.8131	0.8764	0.5634	0.5832	0.1111	16.4884	0.0014
Cyanocobalamin 457	0.3140	0.3946	0.1702	0.3091	0.3207	0.1878	0.2313	0.6011	0.3135	0.5066	0.4374	0.8020	0.6445	0.4212	0.3554	0.0712	16.1084	NA
Cysteine 76	1.7192	1.5659	1.5600	1.7334	1.5777	1.9526	1.1576	0.4761	0.2705	0.6235	0.4039	0.5584	0.8381	0.6113	0.5181	0.4778	0.6305	0.0332
Cysteine PARENT	1.9152	2.0601	1.6633	2.2737	0.7272	2.0795	1.4544	0.1743	0.5557	0.3184	0.3133	0.1950	0.2782	0.4036	0.0819	0.3904	1.3596	0.0145
Cysteine PARENT POS	1.6660	1.5007	1.3704	1.6078	0.3226	1.6710	1.1651	0.6634	0.3950	0.8029	0.6227	0.7610	1.0654	0.6898	0.6446	0.7556	1.5494	0.0567
Cystine 120	0.4605	0.4619	0.1446	0.4683	0.5008	0.0292	0.4995	1.7346	1.3239	1.9382	1.7473	2.0265	2.0960	1.7682	1.7858	2.3439	0.3559	0.0005
Cystine 74	0.4752	0.4573	0.1487	0.4679	0.4965	0.0280	0.4968	1.7481	1.3025	1.8979	1.7233	2.0522	2.1065	1.7393	1.8308	2.3570	0.3609	0.0006
Doxycycline 321	0.9626	0.7074	0.9025	0.5935	0.7075	1.0206	0.9017	0.5300	0.7156	0.8159	0.5335	3.2499	1.2723	1.4218	1.7722	0.5238	0.6952	0.8641
FAD 408	2.1482	2.1670	2.2046	2.0077	1.3663	2.6876	2.2031	0.0069	0.0028	0.0041	0.0057	0.0042	0.0077	0.0043	0.0067	0.0038	0.0015	0.0003
FAD 79	2.1306	2.2432	2.2452	2.1126	1.4111	2.6912	2.2367	0.0033	0.0018	0.0021	0.0018	0.0022	0.0045	0.0028	0.0032	0.0025	0.0004	0.0004
Fasnall 218	1.2358	0.8451	1.4032	0.8432	1.0732	0.5062	0.8916	0.9322	0.6771	0.8320	0.6858	1.3879	0.7168	1.7502	1.2726	1.6101	0.5491	0.6736
Folic 295	0.7658	0.7358	0.5178	0.6838	1.2000	0.3664	0.6530	1.2762	1.1418	1.3864	1.4189	1.1825	1.3932	1.3503	1.4592	1.3247	2.9399	0.0033
Folic 311	0.7295	0.7149	0.3932	0.6096	0.8179	0.2794	0.6097	1.4359	1.3039	1.3997	1.4551	1.3703	1.3697	1.4202	1.5740	1.3897	3.2318	0.0085
Formic PARENT	1.2197	1.0066	0.9358	0.9702	1.1705	0.5986	1.5658	1.0795	0.8146	0.9415	0.6993	0.6427	0.4120	1.4849	0.8354	0.4472	2.9896	0.8417
Fumaric 71	2.6136	2.6838	0.9232	2.3483	0.1191	2.3110	2.9102	0.0713	0.0689	0.0598	0.0758	0.0673	0.0948	0.0911	0.0763	0.0143	0.0299	0.0247
Glucose 59	0.5303	0.5817	0.4300	0.5322	1.0318	0.2523	0.4676	1.2112	1.0908	1.5824	1.3907	1.7240	1.7937	1.4562	1.1998	1.9287	2.5850	0.0001
Glucose 71	0.4826	0.5334	0.3855	0.4889	0.9544	0.2277	0.4302	1.1472	1.0162	1.5179	1.3281	1.6786	1.7676	1.3909	1.1318	1.9210	2.7409	0.0000
Glutamic acid 102	1.5090	1.5416	1.0754	1.5624	0.9209	1.6505	1.5243	0.7939	0.6886	0.8069	0.8114	0.8044	0.8561	0.8337	0.8042	0.6311	0.2583	0.0002
Glutamic acid 128	1.6754	1.7890	1.0050	1.7819	0.8478	1.8458	1.6909	0.6515	0.5735	0.6510	0.6773	0.6632	0.7047	0.6880	0.6312	0.5334	0.1835	0.0002
Glutamine 130	0.9204	0.9880	1.2364	0.9697	2.3385	1.0387	0.9462	0.8119	0.5629	0.9166	0.7042	1.1200	1.1666	0.7786	0.7730	1.2220	1.7641	0.0049
Glutamine 84	0.9347	0.9999	1.2560	0.9740	1.9132	1.0710	0.9843	0.8038	0.6825	1.0175	0.8230	1.1323	1.1962	0.7924	0.8242	1.2859	1.5832	0.0003
Glycine PARENT POS	1.5076	1.5430	2.7696	1.5162	1.9512	2.2914	1.5352	0.2904	0.2504	0.3827	0.2806	0.4007	0.4092	0.2817	0.2979	0.2980	0.4915	0.0044
GSK2194069 344	1.4813	0.8458	0.6965	0.8682	1.1889	0.6925	0.7215	0.8624	2.1669	0.6940	0.5245	1.2536	NA	0.8541	0.8505	NA	1.0788	2.1498
GSSG 179	2.6140	2.1797	1.2907	2.2051	0.8018	2.9003	2.2338	0.0039	0.0027	0.0033	0.0015	0.0019	0.0015	0.0028	0.0015	0.0073	0.0100	0.0048
GSSG 306	2.7535	2.2675	1.3404	2.2571	0.8387	3.0394	2.2882	0.0028	0.0021	0.0034	0.0018	0.0028	0.0021	0.0029	0.0034	0.0046	0.0018	0.0021
HEPES 107	1.1944	1.2360	1.3563	1.1998	1.6174	1.2516	1.2450	0.5917	0.5101	0.5662	0.5986	0.5522	0.5335	0.5670	0.6005	0.0029	5.2688	0.0059
HEPES 80	1.2159	1.2564	1.3479	1.1796	1.6681	1.2989	1.2451	0.5565	0.4646	0.5759	0.5923	0.5521	0.5583	0.5701	0.5941	0.0001	5.1406	0.0002
Histidine 110 POS	0.7298	0.7140	0.6987	0.6886	1.3722	0.5053	0.7075	1.1993	1.0943	1.4380	1.1603	1.4901	1.4639	1.3517	1.1705	1.5069	1.9542	0.0010
Histidine 83	0.7038	0.6838	0.6779	0.6529	1.3795	0.4808	0.6715	1.1631	0.9992	1.4745	1.2058	1.5391	1.5101	1.2978	1.1695	1.5611	2.1562	0.0006
HMG-CoA 408	2.4717	2.3514	1.4756	2.3598	0.8338	2.5995	2.1239	0.0018	0.0015	0.0019	0.0008	0.0022	0.0018	0.0011	0.0024	0.0018	0.0008	0.0019
HMG-CoA 426	1.5240	2.0861	0.9126	1.4566	0.4904	1.6984	1.3752	0.0010	NA	0.0011	0.0021	NA	NA	NA	0.0011	0.0023	NA	0.0016
Isoleucine 69	0.9496	1.0012	1.3668	0.9671	2.6599	1.0714	0.9526	0.6410	0.5412	1.0193	0.6986	1.0880	1.1548	0.8200	0.6219	1.1765	1.2201	0.0009
Ketoglutaric 101	2.2982	2.3541	1.3475	2.0171	0.2100	2.5951	2.7431	0.2764	0.2263	0.1480	0.2825	0.0821	0.0624	0.2423	0.3081	0.0220	0.0056	0.0054
Ketoglutaric 57	2.1996	2.2999	1.3187	1.9492	0.3205	2.4691	2.6200	0.3094	0.2966	0.2148	0.3517	0.1268	0.1093	0.3127	0.3755	0.0699	0.0495	0.0335
Lactic 71	1.9420	1.6425	1.0486	1.1385	0.4615	1.0660	1.8940	1.4685	1.0337	0.6639	1.0343	0.2855	0.2253	1.0284	1.5508	0.0027	NA	0.0055
Lactic 87	2.0599	1.7381	1.0772	1.2226	0.4904	1.1350	2.0050	1.5521	1.1096	0.6890	1.0775	0.3039	0.2437	1.0848	1.6370	0.0081	0.0006	0.0157
Lauroyl-CoA 408	1.9635	2.2293	2.1580	2.6477	1.2751	2.4785	1.7209	0.0795	0.0798	0.0691	0.0445	0.0471	0.0789	0.0723	0.0653	0.0781	0.0998	0.0551
Leucine 86	1.1594	0.9129	1.3181	0.9175	2.8216	1.0191	0.8319	0.5465	0.4531	1.0527	0.6165	1.1425	1.2787	0.7748	0.5248	1.2130	1.2842	0.0004
Lysine 84	0.5051	0.5389	1.1334	0.4688	4.1072	0.5846	0.5137	0.5745	0.4044	1.2089	0.6211	1.3382	1.4612	0.8309	0.5654	1.1928	2.9902	0.0032
Malic 115	2.5502	2.6024	1.1187	2.3520	0.1337	2.5027	2.7116	0.0895	0.0963	0.0751	0.0990	0.0654	0.1004	0.1037	0.1068	0.0103	0.0033	0.0056
Malic 71	2.6432	2.6655	0.9762	2.3533	0.1103	2.3839	2.8436	0.0775	0.0826	0.0573	0.0852	0.0574	0.0843	0.0823	0.0906	0.0094	0.0030	0.0065
Malonic 59	0.0333	0.1166	2.9677	0.1723	4.1032	0.6846	0.0058	0.0683	0.1768	2.2414	0.4366	2.6523	2.9938	1.4587	0.0040	0.0014	0.0009	0.0020
Malonyl-CoA 303	1.7795	1.9809	3.2507	1.8097	2.4655	2.7284	1.5783	0.0031	0.0029	0.0025	0.0028	0.0031	0.0019	0.0016	0.0019	0.0039	0.0013	0.0039
Malonyl-CoA 408	1.8970	1.9489	3.1497	1.7784	2.5510	2.5820	1.6377	0.0038	0.0041	0.0030	0.0024	0.0029	0.0039	0.0024	0.0059	0.0050	0.0032	0.0035
Malonyl-CoA 426	1.0916	1.1944	1.4513	1.0360	1.0559	1.1836	0.9862	NA	0.0014	NA	0.0006	NA	NA	NA	NA	0.0008	NA	NA
Malonyl-CoA 428	0.8649	0.9675	1.5917	1.1486	1.2082	1.2849	0.9895	NA	0.0002	0.0003	NA	NA	NA	NA	NA	0.0011	NA	NA
Methionine 104	1.1481	1.1725	1.5211	1.1179	2.1923	1.3177	1.1578	0.6299	0.5285	0.8985	0.6768	0.9183	0.9872	0.7420	0.6439	0.9481	1.0400	0.0002
Methionine 61	1.1098	1.1506	1.6256	1.0689	2.7712	1.2981	1.1338	0.5729	0.4650	0.8306	0.6140	0.8685	0.9428	0.6728	0.5721	0.8891	1.0017	0.0001
Methotrexate 134	0.5214	0.6797	0.7628	0.4569	1.3352	0.5365	0.6026	0.5061	NA	0.4066	0.3691	0.4088	0.8833	NA	0.3728	NA	3.0005	3.0843
Methotrexate 308	1.4154	0.8909	0.9945	1.2315	1.4288	0.5731	0.8943	0.4851	0.5559	0.6325	0.6878	0.4239	0.5658	0.6752	0.6171	0.6582	2.5045	3.7544
Methylcobalamin 147	1.4938	1.8243	2.0730	1.8018	1.7254	1.7093	1.9556	0.2657	0.3812	0.4366	0.3095	0.2970	0.2713	0.3383	0.3627	0.2032	0.5412	0.1701
Methylcobalamin 636	1.5547	NA	NA	0.4453	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Methylcrotonyl-CoA 408	1.9240	2.3494	1.3425	2.2165	0.4714	2.7340	2.0806	0.0040	0.0036	0.0032	0.0019	0.0038	0.0040	0.0041	0.0021	0.0038	0.0019	0.0018
Methylcrotonyl-CoA 79	2.2342	2.5981	1.4889	2.4376	0.5174	3.0455	2.4066	0.0047	0.0031	0.0044	0.0038	0.0041	0.0064	0.0094	0.0066	0.0059	0.0019	0.0016
myo-Inositol 161	1.7202	1.9280	1.7326	1.7942	1.7968	2.2715	1.8163	0.2963	0.2777	0.2994	0.3020	0.2933	0.3141	0.3088	0.3139	0.3115	0.2966	0.0013
Myristic PAR	1.5674	1.7778	1.7226	1.7221	1.3723	1.8226	1.6812	0.4584	0.4594	0.3140	0.4601	0.2520	0.9121	0.4429	0.5017	0.3397	0.4814	0.2665
Myristoyl-CoA 408	2.6347	1.9320	2.2760	2.3347	1.2132	2.5192	1.9553	0.0102	0.0139	0.0215	0.0182	0.0183	0.0228	0.0250	0.0191	0.0156	0.0195	0.0217
Myristoyl-CoA 428	1.8151	1.6304	2.0243	1.8276	0.9160	1.7521	1.4438	0.0017	0.0018	0.0033	0.0016	0.0018	0.0036	0.0046	0.0016	0.0032	NA	0.0044
NAD+ 273	1.2239	1.3118	1.3864	1.6628	0.8399	1.5879	1.3564	NA	NA	NA	NA	NA	0.0001	0.0000	0.0000	NA	0.0000	0.0001
NAD+ 428	2.0337	2.1857	2.3057	2.0335	1.5410	2.7088	2.0792	0.0001	0.0000	0.0000	0.0000	0.0001	0.0013	0.0001	0.0001	0.0001	0.0001	0.0001
NAD+ 524	2.0928	2.2349	2.3304	2.1154	1.5399	2.6979	2.1289	0.0002	0.0001	0.0002	0.0001	0.0001	0.0013	0.0002	0.0001	0.0001	0.0001	0.0001
NAD+ 540	2.0612	2.1861	2.3599	2.0919	1.4859	2.6971	2.2518	0.0002	0.0001	0.0001	0.0001	0.0001	0.0011	0.0003	0.0002	0.0001	0.0001	0.0001
NADH 335	1.4646	0.6328	0.8544	0.9435	0.4319	1.1091	1.5637	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
NADH 348	1.4170	0.7798	0.9814	1.0946	0.5116	1.2727	1.2071	NA	0.0002	NA	NA	NA	NA	NA	NA	NA	NA	NA
NADH 408	2.7998	1.2721	2.1518	1.8195	1.1313	2.8174	3.0300	0.0004	0.0004	0.0007	0.0006	0.0005	0.0003	0.0003	0.0006	0.0003	0.0004	0.0004
NADH 649	2.5451	1.2594	2.3020	1.8623	1.1937	3.0772	2.8912	0.0019	0.0012	0.0018	0.0022	0.0011	0.0014	0.0034	0.0019	0.0013	0.0021	0.0010
NADPH 328	0.1783	0.7797	0.3944	1.1851	0.1232	2.1784	2.4942	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
NADPH 408	0.3220	1.4744	0.9528	2.1876	0.3070	5.3339	4.5670	0.0004	0.0005	0.0006	0.0005	0.0007	0.0007	0.0005	0.0005	0.0005	0.0003	0.0004
Niaciamide 106	0.8982	0.8993	0.6835	0.7181	0.8155	0.6314	0.8849	1.0604	0.8675	1.2564	0.9779	1.3945	1.5493	1.1434	1.1651	1.1534	3.1420	0.0134
Niaciamide 80	1.0543	0.9699	0.8008	0.8135	0.9403	0.7355	0.9738	1.0945	0.8781	1.1683	1.0220	1.2703	1.4665	1.0770	1.1901	1.1833	2.2196	0.0059
O-Acetyl-L-carnitine 145	1.8695	1.9166	2.5239	1.8063	1.4583	2.4362	2.1483	0.0407	0.0314	0.0484	0.0446	0.0285	0.0290	0.0470	0.0432	0.0006	0.0000	0.0008
O-Acetyl-L-carnitine 85	1.9329	1.9585	2.5618	1.9087	2.0150	2.5154	2.0104	0.0785	0.0613	0.0889	0.0842	0.0561	0.0563	0.0875	0.0819	0.0007	0.0000	0.0006
Octanoyl-CoA 79	2.0217	2.3996	1.8765	1.7581	1.9415	2.2491	1.9028	0.0575	0.0329	0.0588	0.0562	0.0507	0.0981	0.0250	0.0488	0.0437	0.0310	0.0989
Oleoyl-CoA (18:1) 79	2.6112	2.4208	2.1078	2.5210	0.8343	2.3282	1.9616	0.0052	0.0041	0.0044	0.0050	0.0058	0.0043	0.0042	0.0051	0.0043	0.0050	0.0034
Ornithine 70	1.5734	1.5986	1.1612	1.3172	1.9607	1.4342	1.7624	1.0166	0.7566	0.6875	0.9744	0.4402	0.3672	1.0079	1.0774	0.0519	0.0023	0.0020
Oxaloacetic 87	2.8449	3.1446	1.0676	2.7616	0.0924	2.5785	1.6489	0.0189	0.0667	0.0278	0.0052	0.0424	0.0112	0.0754	0.1060	0.0382	0.0559	0.0320
pABA 120	0.0590	0.1434	0.1109	0.0523	1.2949	0.0643	0.0568	0.0688	0.0816	0.3977	0.0640	2.3377	5.7687	0.0764	0.0652	6.8381	0.5934	0.1381
Palmitic PAR	1.2279	1.4652	1.3531	1.5822	1.3367	1.3480	1.1424	0.6424	1.8627	0.6141	0.4468	0.7577	1.1727	0.6221	0.9823	0.6180	0.0542	0.3871
Palmitoleic PAR	1.4247	1.5425	1.6945	1.5698	1.7536	1.8958	1.4516	0.2779	0.2811	0.2455	0.3044	0.2490	2.6377	0.3128	0.2857	0.3222	0.0271	0.1439
Palmitoleyl-CoA (16:1) 79	2.5937	2.3574	1.5840	2.8271	0.7359	2.2218	2.2587	0.0067	0.0073	0.0055	0.0085	0.0127	0.0058	0.0036	0.0067	0.0097	0.0061	0.0119
Palmitoyl-CoA (16:0) 79	2.6576	2.0952	2.3395	2.1412	0.9696	2.3568	2.3235	0.0039	0.0033	0.0037	0.0069	0.0063	0.0046	0.0053	0.0027	0.0037	0.0034	0.0053
Pantothenic 202	1.7345	1.7605	1.7519	1.7049	0.9004	1.9550	2.0052	0.3704	0.3066	0.4004	0.3826	0.4055	0.4270	0.3853	0.3732	0.1918	1.4407	0.0385
Pemetrexed 297	0.8289	1.3644	0.6201	0.7600	0.5026	0.4763	0.8391	1.3943	1.0671	0.8877	0.8207	1.4838	1.1198	0.4845	1.2465	1.2581	0.9674	1.8450
Pemetrexed 321	NA	1.4996	2.2656	0.7966	0.9859	NA	NA	0.6535	1.2736	1.9596	0.6105	0.7353	0.8176	0.6481	1.2773	0.6573	0.6659	1.2116
Penicillin G 289	0.8726	0.8598	0.4614	0.7131	0.5478	0.4094	0.7394	1.5399	1.2601	1.4659	1.5187	1.4884	1.6474	1.5061	1.5514	2.3133	0.0001	0.0002
Penicillin G 289 POS	0.8880	0.8588	0.6470	0.7615	0.8151	0.5371	0.7685	1.4076	1.3483	1.4973	1.5099	1.4891	1.5697	1.4759	1.5241	1.7396	0.0000	0.0000
Phenol Red 195	0.6370	0.6534	0.2894	0.5342	0.4056	0.2319	0.5932	1.4285	1.1674	1.4555	1.5454	1.3527	1.3266	1.4027	1.5045	1.4041	2.7160	NA
Phenol Red 93	0.6855	0.6696	0.3043	0.5873	0.4280	0.2435	0.5732	1.6146	1.2984	1.4947	1.5836	1.4363	1.4349	1.5529	1.6681	1.5191	2.6836	0.0001
Phenylalanine 147	0.9171	0.9611	1.8378	0.9102	4.6196	1.2186	0.9449	0.3760	0.3033	0.6936	0.4017	0.7702	0.8290	0.5295	0.3645	0.7324	1.2410	0.0005
Phenylalanine 72	0.8697	0.9035	1.7473	0.8413	4.6268	1.1496	0.8936	0.3575	0.2886	0.6649	0.3844	0.7282	0.7886	0.4997	0.3511	0.6949	1.2515	0.0006
Proline 70	1.6253	1.5879	1.4303	1.4413	1.1977	1.7942	1.6550	0.6082	0.4758	0.5944	0.5770	0.6099	0.7228	0.5781	0.6340	0.7069	0.6331	0.0012
Propionic PARENT	1.2824	1.3454	7.7528	1.1095	0.0061	1.0954	1.3983	0.4761	0.3310	0.1387	0.2281	0.0940	0.0715	0.1473	0.5330	0.0184	0.0540	0.0066
Propionyl-CoA 408	2.0421	2.1671	2.6234	2.2653	0.7770	3.0677	2.0056	0.0247	0.0323	0.0408	0.0258	0.0316	0.0112	0.0216	0.0166	0.0147	0.0244	0.0166
Puro Heavy 121	1.2863	1.5723	1.0958	1.4388	1.2722	1.2435	1.4084	0.5665	0.5827	1.1975	0.6204	0.4360	0.9761	0.9304	0.5907	0.3332	0.4493	0.6589
Pyridoxine 134	0.9514	0.9467	0.7108	0.8508	0.7227	0.7098	0.8596	1.1202	0.9018	1.1019	1.1499	1.0101	1.1472	1.0964	1.1294	1.5148	2.9608	0.0005
Pyridoxine 152	0.9852	0.9688	0.7368	0.8664	0.7485	0.7301	0.8847	1.1782	0.9177	1.1282	1.1718	1.0317	1.1727	1.1032	1.1650	1.5174	2.9026	0.0009
Pyruvic 32	2.3916	2.0679	0.9178	1.5725	0.1226	1.2719	2.4276	0.9454	0.6936	0.3027	0.7984	0.0570	0.0763	0.6544	1.0015	0.0040	1.5120	0.0019
Riboflavin 243	1.1334	1.2195	1.1691	1.0358	1.6881	1.0666	1.1320	0.7691	2.2234	0.7877	0.6889	0.9001	0.9918	0.7476	0.7552	0.7260	1.1800	0.1378
Serine 60	1.1570	1.2553	1.6579	1.2809	2.4015	1.6579	1.1491	0.4691	0.4057	0.7449	0.4939	0.8659	0.9830	0.4863	0.4905	0.9645	0.8066	0.0061
Stearic PAR	1.2213	1.3451	1.5373	1.3836	1.4282	1.4032	1.1156	0.6101	0.9198	0.6405	0.5658	0.7863	1.3152	0.6258	0.7687	0.8782	0.2721	0.6455
Succinic 73	0.2315	0.2481	7.5113	0.2540	6.1719	1.5988	0.2784	0.0401	0.0374	0.3829	0.0669	0.3626	0.2369	0.2393	0.0442	0.0135	0.0057	0.0032
Succinic 99	0.1963	0.2185	8.1975	0.2215	6.0557	1.3950	0.2318	0.0402	0.0378	0.3246	0.0545	0.3171	0.2000	0.2084	0.0411	0.0140	0.0104	0.0059
Succinyl-CoA 408	2.1360	2.3734	2.1858	2.5439	1.1692	2.3568	1.8536	0.0083	0.0067	0.0069	0.0062	0.0076	0.0062	0.0093	0.0136	0.0098	0.0145	0.0076
Taurine 80	1.9149	1.9769	2.3921	1.9421	1.8406	2.6419	1.9544	0.0430	0.0367	0.1045	0.0432	0.1947	0.2718	0.0500	0.0462	0.0058	0.0020	0.0004
Thiamine 122	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	0.6746
Threonine 102	0.7056	0.7434	0.9477	0.7589	1.7788	0.8228	0.7248	0.8101	0.6803	1.2710	0.8915	1.3836	1.3835	0.9537	0.7951	1.2620	3.2525	0.0004
Threonine 74 POS	0.7226	0.7655	0.9524	0.7506	1.7031	0.8304	0.7406	0.8570	0.7134	1.2893	0.9034	1.4055	1.4104	1.0141	0.8256	1.2648	2.9310	0.0048
Tryptophan 118	0.9495	0.9595	1.9837	0.8884	4.4735	1.2621	0.9848	0.3876	0.3178	0.6983	0.4245	0.7528	0.7765	0.4991	0.3980	0.7383	1.1310	0.0001
Tryptophan 146	1.0125	1.0325	1.9705	0.9563	3.6634	1.3435	1.0316	0.4305	0.3510	0.7469	0.4693	0.8025	0.8278	0.5389	0.4341	0.8131	1.1891	0.0003
TVB-2640 386	1.1328	NA	0.9724	NA	NA	NA	0.5813	NA	NA	NA	1.1807	NA	NA	NA	NA	NA	NA	NA
TVB-2640 412	1.0911	1.5265	1.5633	0.9729	0.7809	1.3594	0.7137	0.8884	0.6673	1.4131	0.6308	0.9088	0.5445	1.0086	0.8068	0.8743	1.2399	0.4220
TVB-3166 116	1.6519	1.7017	1.7318	1.4571	1.7858	2.0657	2.2095	0.3086	0.1325	0.4478	0.5820	0.3597	0.3461	0.2042	0.4223	0.1565	0.0381	0.3975
TVB-3166 342	1.0122	0.9038	2.6054	1.2425	0.7293	1.1391	0.7764	0.4629	NA	NA	NA	0.4059	0.6935	0.8415	NA	NA	NA	0.3598
Tyrosine 123	1.0643	1.1199	1.5236	1.0490	2.8353	1.2111	1.0820	0.5594	0.4983	0.8489	0.6188	0.8761	0.9657	0.6835	0.5824	0.8708	1.3873	0.0009
Tyrosine 136	1.0568	1.1258	1.5609	1.0614	2.6384	1.2825	1.1235	0.5833	0.4896	0.8425	0.6357	0.8817	0.9635	0.6965	0.5833	0.8787	1.3552	0.0009
Urea 44	1.3244	1.3763	0.5386	1.2769	0.3060	0.9299	1.3463	1.6664	1.4022	1.1143	1.6389	0.8442	0.7399	1.5954	1.7381	0.1695	0.0081	0.3431
Uric 124	0.9199	1.0093	0.7624	0.9871	0.7013	0.7698	0.9718	1.5711	1.3104	1.4759	1.4385	1.5252	1.4853	1.5108	1.6167	0.6146	0.0032	0.0145
Uric 96	0.8898	0.9535	0.6551	0.9159	0.6632	0.6672	0.9898	1.4590	1.2505	1.4506	1.4041	1.4022	1.4115	1.4481	1.5538	0.5239	0.0005	0.0018
Valine 55	0.5553	0.5928	1.6070	0.5942	3.9286	0.8247	0.5497	0.4797	0.3975	1.0967	0.5314	1.2372	1.3380	0.7380	0.4563	1.1845	2.6154	0.0033
Valine 72	0.6322	0.6656	1.5913	0.6681	3.3239	0.9014	0.6240	0.5196	0.4566	1.1568	0.6118	1.2589	1.3391	0.8089	0.5130	1.2137	2.3243	0.0035
VY-3-135 355	0.7822	6.1476	3.6307	0.5364	0.2453	0.2518	0.7936	0.3432	0.2779	0.2979	0.2276	0.2655	0.1548	0.3392	0.2056	0.3396	0.2069	0.3952
VY-3-135 412	1.2071	6.0525	4.1498	0.6697	0.3902	0.3416	0.8700	0.0846	0.1292	0.0900	0.1896	0.1437	0.1165	0.1519	0.0888	0.1353	0.0749	0.5231
VY-7-137 233	1.3852	0.7386	NA	NA	0.6653	1.0300	0.7348	NA	NA	NA	NA	NA	NA	NA	NA	0.9502	NA	NA
VY-7-137 508	0.9877	1.1633	3.1355	0.9519	4.4113	1.9665	0.9182	0.1341	0.1873	0.4215	0.1747	0.6334	0.4156	0.1816	0.1565	0.8361	0.0901	0.0711

Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this study

Factors:

F1	Sample source:BT-474 breast cancer cells | Sample Type:Intracellular | Drug Treatment:0.1 mM dimethylmalonate
F2	Sample source:BT-474 breast cancer cells | Sample Type:Intracellular | Drug Treatment:0.5 mM dimethylmalonate
F3	Sample source:BT-474 breast cancer cells | Sample Type:Intracellular | Drug Treatment:10 mM dimethylmalonate
F4	Sample source:BT-474 breast cancer cells | Sample Type:Intracellular | Drug Treatment:1 mM dimethylmalonate
F5	Sample source:BT-474 breast cancer cells | Sample Type:Intracellular | Drug Treatment:20 mM dimethylmalonate
F6	Sample source:BT-474 breast cancer cells | Sample Type:Intracellular | Drug Treatment:5 mM dimethylmalonate
F7	Sample source:BT-474 breast cancer cells | Sample Type:Intracellular | Drug Treatment:Control
F8	Sample source:BT-474 breast cancer cells | Sample Type:Medium | Drug Treatment:0.1 mM dimethylmalonate
F9	Sample source:BT-474 breast cancer cells | Sample Type:Medium | Drug Treatment:0.5 mM dimethylmalonate
F10	Sample source:BT-474 breast cancer cells | Sample Type:Medium | Drug Treatment:10 mM dimethylmalonate
F11	Sample source:BT-474 breast cancer cells | Sample Type:Medium | Drug Treatment:1 mM dimethylmalonate
F12	Sample source:BT-474 breast cancer cells | Sample Type:Medium | Drug Treatment:20 mM dimethylmalonate
F13	Sample source:BT-474 breast cancer cells | Sample Type:Medium | Drug Treatment:40 mM dimethylmalonate
F14	Sample source:BT-474 breast cancer cells | Sample Type:Medium | Drug Treatment:5 mM dimethylmalonate
F15	Sample source:BT-474 breast cancer cells | Sample Type:Medium | Drug Treatment:Control
F16	Sample source:NA | Sample Type:Medium | Drug Treatment:Control
F17	Sample source:NA | Sample Type:QC | Drug Treatment:NA
F18	Sample source:NA | Sample Type:Standard | Drug Treatment:NA