Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for Distinctly perturbed metabolic networks underlie differential tumor tissue damages induced by immune modulator b-glucan in a two-case ex vivo non-small cell lung cancer study (Study ST000367)

Precellys homogenization (IC-FTMS1) (Analysis AN000600)

Metabolite	Structure	F1	F2	F3	F4
D-Glucuronic acid 1-phosphate-13C6[-H+]-	ME131666	0.14	1.34	0.18	2.34
NADH-13C7[-H+]-	ME131794	NA	0.19	NA	1.81
XMP-13C2[-H+]-	ME131892	NA	0.49	NA	1.51
D-Ribose and L-Arabinose-13C5[-H+]-	ME131675	1.33	0.64	0.99	1.04
D-Xylose-13C5[-H+]-	ME131682	1.33	0.64	0.99	1.04
Hexoses-13C5[-H+]-	ME131746	1.19	0.67	1.08	1.07
Hexoses-13C6[-H+]-	ME131747	1.13	0.78	1.03	1.07
(S)-Methylmalonic acid semialdehyde-13C4[-H+]-	ME131581	1.12	0.78	1.03	1.07
L-Aspartic acid-13C0[-H+]-	ME131757	1.25	0.64	1.43	0.68
L-Xylonate-13C0[-H+]-	ME131768	1.46	0.69	1.12	0.73
(S)-Methylmalonic acid semialdehyde-13C3[-H+]-	ME131580	1.26	0.66	1.23	0.85
CDP-13C0[-H+]-	ME131627	0.90	1.30	1.31	0.49
Citrate-13C0[-H+]-	ME131631	0.82	1.09	1.21	0.87
Succinate-13C0[-H+]-	ME131825	0.76	1.15	1.20	0.89
Erythrose-13C0[-H+]-	ME131685	0.90	1.08	1.06	0.97
Deoxycytidine-13C0[-H+]-	ME131653	0.95	1.01	0.99	1.05
Pyroglutamic acid-13C0[-H+]-	ME131804	0.84	1.01	1.05	1.10
Galactose 6-phosphate-13C5[-H+]-	ME131712	1.05	0.83	1.42	0.70
Galactose 6-phosphate-13C3[-H+]-	ME131711	0.98	0.91	1.33	0.78
Galactose 6-phosphate-13C6[-H+]-	ME131713	1.06	0.86	1.34	0.74
Itaconic acid-13C0[-H+]-	ME131752	1.03	0.91	1.35	0.72
L-Glutamic acid-13C0[-H+]-	ME131762	0.99	0.95	1.16	0.90
Pyruvate-13C0[-H+]-	ME131810	1.14	0.90	1.14	0.83
Mannose 6-phosphate-13C6[-H+]-	ME131778	0.81	0.88	1.42	0.89
Erythrose-13C4[-H+]-	ME131686	0.85	0.92	1.55	0.68
L-Glutamic acid-13C1[-H+]-	ME131763	0.75	0.94	1.67	0.63
Galacturonic acid-13C0[-H+]-	ME131714	0.58	1.58	0.33	1.52
NADH-13C5[-H+]-	ME131792	0.27	1.53	0.53	1.67
D-Xylose-13C0[-H+]-	ME131681	0.62	1.30	0.67	1.41
3PG-13C3[-H+]-	ME131593	0.43	1.41	0.73	1.43
D-Ribose and L-Arabinose-13C0[-H+]-	ME131674	0.49	1.28	0.68	1.55
Glyceric acid-13C3[-H+]-	ME131721	0.45	1.40	0.62	1.53
NADH-13C10[-H+]-	ME131788	0.35	1.38	0.67	1.60
Mannose 6-phosphate-13C5[-H+]-	ME131777	1.02	1.29	0.66	1.02
Phosphoserine-13C0[-H+]-	ME131803	1.21	1.13	0.75	0.92
GSH-13C0[-H+]-	ME131728	0.55	1.51	0.83	1.10
N-Acetylglutamic acid -13C0[-H+]-	ME131779	0.63	1.48	0.78	1.11
Pyruvate-13C2[-H+]-	ME131812	0.64	1.53	0.71	1.12
Taurine-13C0[-H+]-	ME131835	0.68	1.28	0.87	1.17
2HG-13C0[-H+]-	ME131586	0.60	1.28	0.94	1.19
Fumarate-13C0[-H+]-	ME131693	0.59	1.29	0.86	1.25
Hexoses-13C0[-H+]-	ME131743	0.57	1.37	0.87	1.19
Malate-13C0[-H+]-	ME131771	0.55	1.33	0.91	1.21
Pantothenic acid-13C0[-H+]-	ME131797	0.68	1.32	0.76	1.24
Pyruvate-13C3[-H+]-	ME131813	0.76	1.37	0.69	1.18
Gulonic and Galactonic and Gluconic acid-13C5[-H+]-	ME131741	0.70	1.32	0.97	1.00
Lactate-13C0[-H+]-	ME131753	0.80	1.20	1.02	0.97
UMP-13C0[-H+]-	ME131857	0.82	1.29	0.96	0.94
aKG-13C0[-H+]-	ME131601	0.86	1.38	0.80	0.97
(S)-Methylmalonic acid semialdehyde-13C0[-H+]-	ME131579	0.74	1.51	0.77	0.98
Galacturonic acid-13C6[-H+]-	ME131717	0.88	1.13	0.74	1.25
L-Xylonate-13C5[-H+]-	ME131770	0.71	1.04	0.75	1.50
PEP-13C3[-H+]-	ME131800	0.55	1.11	0.83	1.51
N-Acetylglutamic acid -13C6[-H+]-	ME131785	NA	1.64	0.71	0.65
GalactitolAndSorbitol-13C6[-H+]-	ME131709	0.34	1.63	0.71	1.32
Malate-13C3[-H+]-	ME131774	0.15	1.67	0.78	1.40
Malate-13C2[-H+]-	ME131773	0.24	1.65	0.76	1.34
NADH-13C0[-H+]-	ME131787	0.23	1.72	0.69	1.36
L-Glutamic acid-13C4[-H+]-	ME131766	0.10	1.92	0.76	1.23
UMP-13C6[-H+]-	ME131863	0.14	1.75	0.88	1.23
UMP-13C7[-H+]-	ME131864	0.14	1.79	0.88	1.19
GDP-13C0[-H+]-	ME131718	0.27	2.01	0.59	1.13
UMP-13C8[-H+]-	ME131865	0.15	2.08	0.70	1.07
Citrate-13C3[-H+]-	ME131634	0.25	1.94	0.83	0.98
GDP-13C5[-H+]-	ME131719	0.31	2.00	0.74	0.95
Mannose 6-phosphate-13C0[-H+]-	ME131776	0.36	1.85	0.61	1.18
GSH-13C2[-H+]-	ME131730	0.29	1.84	0.74	1.13
GSH-13C3[-H+]-	ME131731	0.26	1.85	0.80	1.09
Aminofructose 6-phosphate-13C0[-H+]-	ME131607	0.54	1.77	0.63	1.06
Aminofructose 6-phosphate-13C3[-H+]-	ME131610	0.50	1.70	0.80	0.99
N-Acetylglutamic acid -13C4[-H+]-	ME131783	0.23	1.81	1.10	0.86
UMP-13C4[-H+]-	ME131861	0.38	1.71	0.98	0.93
ADP-13C0[-H+]-	ME131594	0.33	1.69	1.01	0.97
dGDP-13C0[-H+]-	ME131658	0.33	1.69	1.01	0.97
Citrate-13C2[-H+]-	ME131633	0.29	1.77	0.90	1.04
UMP-13C3[-H+]-	ME131860	0.40	1.75	0.87	0.98
ADP-13C3[-H+]-	ME131597	0.38	1.81	0.88	0.94
dGDP-13C3[-H+]-	ME131661	0.38	1.81	0.87	0.94
CMP-13C5[-H+]-	ME131643	0.34	1.09	1.11	1.47
Succinate-13C3[-H+]-	ME131828	0.07	1.42	1.22	1.29
Malate-13C1[-H+]-	ME131772	0.23	1.52	1.12	1.13
Succinate-13C2[-H+]-	ME131827	0.22	1.53	1.17	1.09
L-Glutamic acid-13C3[-H+]-	ME131765	0.33	1.49	1.04	1.14
Deoxycytidine-13C2[-H+]-	ME131655	0.41	1.41	0.99	1.19
UMP-13C5[-H+]-	ME131862	0.39	1.44	0.96	1.21
Citrate-13C1[-H+]-	ME131632	NA	1.47	1.44	0.09
L-Glutamic acid-13C2[-H+]-	ME131764	0.61	1.83	1.38	0.17
N-Acetylglutamic acid -13C3[-H+]-	ME131782	0.57	1.69	1.10	0.64
dGDP-13C4[-H+]-	ME131662	NA	1.13	1.22	0.65
N-Acetylglutamic acid -13C2[-H+]-	ME131781	NA	1.19	1.05	0.76
GSH-13C1[-H+]-	ME131729	0.64	1.19	1.35	0.81
ADP-13C4[-H+]-	ME131598	0.50	1.32	1.42	0.76
ADP-13C5[-H+]-	ME131599	0.46	1.35	1.37	0.82
dGDP-13C5[-H+]-	ME131663	0.46	1.35	1.37	0.82
AMP-13C0[-H+]-	ME131613	0.36	1.38	1.26	1.00
CMP -13C7[-H+]-	ME131639	0.27	1.39	1.45	0.90
CMP -13C6[-H+]-	ME131638	0.25	1.46	1.66	0.64
UDP-13C5[-H+]-	ME131838	0.22	1.21	1.70	0.87
aKG-13C2[-H+]-	ME131603	0.20	2.49	0.59	0.72
N-Acetylglutamic acid -13C5[-H+]-	ME131784	0.22	2.17	0.96	0.66
Citrate-13C5[-H+]-	ME131636	0.04	2.85	0.21	0.90
Cyclic AMP-13C5[-H+]-	ME131650	0.09	2.99	0.09	0.83
R1P-13C0[-H+]-	ME131814	0.04	2.67	0.22	1.07
UDP-N-acetyl-alpha-D-galactosamine-13C8[-H+]-	ME131855	0.01	2.85	0.04	1.10
ATP-13C0[-H+]-	ME131620	0.02	2.56	0.04	1.38
dGTP-13C0[-H+]-	ME131667	0.02	2.56	0.04	1.38
ATP-13C5[-H+]-	ME131625	0.03	2.50	0.08	1.40
dGTP-13C5[-H+]-	ME131672	0.03	2.50	0.08	1.40
UDP-N-acetyl-alpha-D-galactosamine-13C12[-H+]-	ME131844	0.04	2.52	0.23	1.22
Uridine diphosphate-N-acetylglucosamine-13C0[-H+]-	ME131872	0.09	2.49	0.13	1.29
D-Ribulose 5-phosphate -13C0[-H+]-	ME131676	0.09	2.51	0.11	1.30
R5P-13C0[-H+]-	ME131816	0.10	2.50	0.11	1.29
Pyroglutamic acid-13C4[-H+]-	ME131808	0.03	2.59	0.15	1.23
UDP-N-acetyl-alpha-D-galactosamine-13C5[-H+]-	ME131852	0.05	2.57	0.12	1.25
UDP-N-acetyl-alpha-D-galactosamine-13C0[-H+]-	ME131840	0.06	2.64	0.09	1.21
1-Pyrroline-2-carboxylic acid-13C3[-H+]-	ME131585	0.04	2.61	0.06	1.29
UDP-N-acetyl-alpha-D-galactosamine-13C13[-H+]-	ME131845	0.02	2.63	0.09	1.26
Pyroglutamic acid-13C3[-H+]-	ME131807	0.09	2.30	0.30	1.32
UDP-N-acetyl-alpha-D-galactosamine-13C11[-H+]-	ME131843	0.10	2.37	0.27	1.26
GSH-13C5[-H+]-	ME131733	0.04	2.32	0.40	1.24
R1P-13C5[-H+]-	ME131815	0.14	2.31	0.40	1.15
Citrate-13C4[-H+]-	ME131635	0.07	2.37	0.46	1.10
GSH-13C4[-H+]-	ME131732	0.07	2.35	0.43	1.15
2HG-13C3[-H+]-	ME131589	0.27	2.20	0.33	1.20
UDP-N-acetyl-alpha-D-galactosamine-13C6[-H+]-	ME131853	0.32	2.28	0.38	1.02
Fumarate-13C4[-H+]-	ME131697	NA	1.35	0.36	1.29
Uridine diphosphate-N-acetylglucosamine-13C10[-H+]-	ME131874	NA	1.44	0.25	1.31
CTP-13C0[-H+]-	ME131644	NA	1.50	0.36	1.13
Succinate-13C4[-H+]-	ME131829	NA	1.44	0.52	1.04
UDP-N-acetyl-alpha-D-galactosamine-13C14[-H+]-	ME131846	NA	1.92	0.10	0.98
Uridine diphosphate-N-acetylglucosamine-13C8[-H+]-	ME131887	NA	1.94	0.06	1.00
S7P-13C5[-H+]-	ME131822	NA	1.57	0.19	1.23
UDP-N-acetyl-alpha-D-galactosamine-13C10[-H+]-	ME131842	NA	1.71	0.15	1.14
Uridine diphosphate-N-acetylglucosamine-13C13[-H+]-	ME131877	NA	1.75	0.05	1.20
Uridine diphosphate-N-acetylglucosamine-13C14[-H+]-	ME131878	NA	1.70	0.10	1.21
Gulonic and Galactonic and Gluconic acid-13C3[-H+]-	ME131739	0.32	1.90	0.08	1.71
S7P-13C2[-H+]-	ME131821	0.17	1.75	0.25	1.83
Uric acid-13C0[-H+]-	ME131870	0.17	1.85	0.15	1.83
Cyclic AMP-13C0[-H+]-	ME131645	0.04	2.11	0.14	1.70
XMP-13C0[-H+]-	ME131890	0.06	2.16	0.16	1.61
cis-Aconitate-13C0[-H+]-	ME131629	0.10	2.00	0.21	1.68
Gulonic and Galactonic and Gluconic acid-13C0[-H+]-	ME131737	0.21	2.03	0.16	1.60
Uridine diphosphate-N-acetylglucosamine-13C5[-H+]-	ME131884	0.07	2.33	0.14	1.45
D-Ribulose 5-phosphate -13C5[-H+]-	ME131679	0.09	2.25	0.16	1.50
R5P-13C5[-H+]-	ME131819	0.07	2.26	0.16	1.51
Malate-13C4[-H+]-	ME131775	0.05	2.20	0.37	1.38
Uridine diphosphate-N-acetylglucosamine-13C11[-H+]-	ME131875	0.13	2.16	0.23	1.47
F16P-13C6[-H+]-	ME131688	0.09	2.15	0.32	1.44
Phosphocreatine-13C0[-H+]-	ME131801	0.16	2.09	0.33	1.42
L-Glutamic acid-13C5[-H+]-	ME131767	0.07	2.08	0.55	1.31
Uracil-13C0[-H+]-	ME131866	0.28	1.94	0.37	1.41
CMP-13C0[-H+]-	ME131640	0.25	1.87	0.34	1.54
Lactate-13C2[-H+]-	ME131755	0.25	1.83	0.42	1.51
Fumarate-13C2[-H+]-	ME131695	0.10	1.84	0.52	1.54
2HG-13C2[-H+]-	ME131588	0.13	2.02	0.40	1.44
Fumarate-13C3[-H+]-	ME131696	0.11	1.98	0.47	1.44
Pyroglutamic acid-13C2[-H+]-	ME131806	0.13	1.94	0.46	1.46
S7P-13C7[-H+]-	ME131824	0.32	1.86	0.53	1.30
S7P-13C6[-H+]-	ME131823	0.41	1.87	0.44	1.29
G1P-13C6[-H+]-	ME131700	0.35	1.93	0.46	1.26
Uridine diphosphate-N-acetylglucosamine-13C6[-H+]-	ME131885	0.37	1.97	0.40	1.26
Gulonic and Galactonic and Gluconic acid-13C6[-H+]-	ME131742	0.44	1.73	0.40	1.42
GalactitolAndSorbitol-13C5[-H+]-	ME131708	0.22	1.79	0.59	1.40
GMP -13C0[-H+]-	ME131722	0.29	1.77	0.53	1.41
Lactate-13C3[-H+]-	ME131756	0.33	1.74	0.50	1.43
Deoxycytidine-13C3[-H+]-	ME131656	NA	1.48	NA	0.52
ATP-13C4[-H+]-	ME131624	NA	1.40	NA	0.60
dGTP-13C4[-H+]-	ME131671	NA	1.40	NA	0.60
UDP-N-acetyl-alpha-D-galactosamine-13C16[-H+]-	ME131848	NA	1.42	NA	0.58
aKG-13C5[-H+]-	ME131606	NA	1.45	NA	0.55
GTP-13C0[-H+]-	ME131735	NA	1.44	NA	0.56
Pyroglutamic acid-13C1[-H+]-	ME131805	NA	1.44	NA	0.56
Gulonic and Galactonic and Gluconic acid-13C4[-H+]-	ME131740	NA	1.43	NA	0.57
UDP-N-acetyl-alpha-D-galactosamine-13C15[-H+]-	ME131847	NA	1.43	NA	0.57
UDP-N-acetyl-alpha-D-galactosamine-13C7[-H+]-	ME131854	NA	1.35	NA	0.65
Uridine diphosphate-N-acetylglucosamine-13C9[-H+]-	ME131888	NA	1.36	NA	0.64
Lactate-13C1[-H+]-	ME131754	NA	1.31	NA	0.69
UDP-N-acetyl-alpha-D-galactosamine-13C3[-H+]-	ME131850	NA	1.32	NA	0.68
S7P-13C0[-H+]-	ME131820	NA	1.32	NA	0.68
aKG-13C4[-H+]-	ME131605	NA	1.32	NA	0.68
N-Acetylglutamic acid -13C7[-H+]-	ME131786	NA	1.32	NA	0.68
Pyroglutamic acid-13C5[-H+]-	ME131809	NA	1.33	NA	0.67
Uridine diphosphate-N-acetylglucosamine-13C12[-H+]-	ME131876	NA	1.34	NA	0.66
D-Ribulose 5-phosphate -13C4[-H+]-	ME131678	NA	1.28	NA	0.72
UDP-N-acetyl-alpha-D-galactosamine-13C4[-H+]-	ME131851	NA	1.28	NA	0.72
E4P-13C4[-H+]-	ME131684	NA	1.27	NA	0.73
R5P-13C4[-H+]-	ME131818	NA	1.27	NA	0.73
1-Pyrroline-2-carboxylic acid-13C0[-H+]-	ME131583	NA	1.24	NA	0.76
Uracil-13C2[-H+]-	ME131868	NA	1.23	NA	0.77
XMP-13C4[-H+]-	ME131894	NA	1.22	NA	0.78
ATP-13C3[-H+]-	ME131623	NA	1.21	NA	0.79
dGTP-13C3[-H+]-	ME131670	NA	1.21	NA	0.79
UMP-13C1[-H+]-	ME131858	NA	0.75	NA	1.25
NADH-13C8[-H+]-	ME131795	NA	0.82	NA	1.18
Uridine diphosphate-N-acetylglucosamine-13C4[-H+]-	ME131883	NA	0.85	NA	1.15
NADH-13C9[-H+]-	ME131796	NA	0.93	NA	1.07
Uridine diphosphate-N-acetylglucosamine-13C15[-H+]-	ME131879	NA	0.94	NA	1.06
XMP-13C3[-H+]-	ME131893	NA	1.00	NA	1.00
3PG-13C0[-H+]-	ME131592	NA	0.97	NA	1.03
F16P-13C5[-H+]-	ME131687	NA	0.98	NA	1.02
XMP-13C1[-H+]-	ME131891	NA	0.98	NA	1.02
2HG-13C4[-H+]-	ME131590	NA	1.17	NA	0.83
GTP-13C5[-H+]-	ME131736	NA	1.16	NA	0.84
Uridine diphosphate-N-acetylglucosamine-13C7[-H+]-	ME131886	NA	1.16	NA	0.84
SucroseAndDischarrides-13C8[-H+]-	ME131834	NA	1.08	NA	0.92
Deoxycytidine-13C4[-H+]-	ME131657	NA	1.12	NA	0.88
R5P-13C3[-H+]-	ME131817	NA	1.11	NA	0.89
2HG-13C5[-H+]-	ME131591	NA	1.10	NA	0.90
D-Ribulose 5-phosphate -13C3[-H+]-	ME131677	NA	1.10	NA	0.90
aKG-13C3[-H+]-	ME131604	NA	1.97	0.38	0.64
Citrate-13C6[-H+]-	ME131637	NA	2.11	0.17	0.72
Cyclic AMP-13C4[-H+]-	ME131649	0.15	2.09	NA	0.76
Aminofructose 6-phosphate-13C1[-H+]-	ME131608	NA	1.93	NA	0.07
Cyclic AMP-13C3[-H+]-	ME131648	NA	1.69	NA	0.31
UDP-N-acetyl-alpha-D-galactosamine-13C2[-H+]-	ME131849	NA	1.66	NA	0.34
Uridine diphosphate-N-acetylglucosamine-13C2[-H+]-	ME131881	NA	1.63	NA	0.37
Galacturonic acid-13C5[-H+]-	ME131716	0.89	1.11	NA	NA
UTP-13C0[-H+]-	ME131889	0.74	1.65	NA	0.61
SucroseAndDischarrides-13C1[-H+]-	ME131830	1.54	NA	0.46	NA
Galactose 6-phosphate-13C0[-H+]-	ME131710	1.01	0.40	2.36	0.23
L-Aspartic acid-13C1[-H+]-	ME131758	1.15	0.18	2.43	0.24
13BPG-13C3[-H+]-	ME131582	1.51	0.19	1.95	0.34
F6P-13C6[-H+]-	ME131692	1.18	0.52	1.97	0.32
G6P-13C6[-H+]-	ME131704	1.31	0.35	1.95	0.39
SucroseAndDischarrides-13C11[-H+]-	ME131831	1.02	0.50	1.98	0.50
L-Aspartic acid-13C2[-H+]-	ME131759	0.89	0.51	2.05	0.54
L-Aspartic acid-13C3[-H+]-	ME131760	0.89	0.51	2.04	0.56
F26P-13C0[-H+]-	ME131689	1.10	0.73	1.84	0.34
SucroseAndDischarrides-13C12[-H+]-	ME131832	1.09	0.67	1.64	0.60
UDP-13C0[-H+]-	ME131837	0.97	0.80	1.72	0.51
CDP-13C5[-H+]-	ME131628	NA	0.47	2.06	0.47
GMP -13C5[-H+]-	ME131725	0.60	0.65	2.58	0.17
GalactitolAndSorbitol-13C0[-H+]-	ME131705	0.58	0.76	2.04	0.62
AMP-13C5[-H+]-	ME131618	0.48	0.67	2.37	0.48
L-Aspartic acid-13C4[-H+]-	ME131761	0.33	0.73	2.33	0.61
N-Acetylglutamic acid -13C1[-H+]-	ME131780	NA	0.55	1.45	NA
G1P-13C0[-H+]-	ME131698	1.32	NA	1.47	0.21
AMP-13C4[-H+]-	ME131617	0.26	NA	1.74	NA
AMP-13C3[-H+]-	ME131616	0.40	NA	1.60	NA
G6P-13C5[-H+]-	ME131703	0.47	NA	1.53	NA
SucroseAndDischarrides-13C6[-H+]-	ME131833	0.89	NA	1.11	NA
ADP-13C2[-H+]-	ME131596	0.70	NA	1.30	NA
Aminofructose 6-phosphate-13C6[-H+]-	ME131612	0.69	NA	1.31	NA
dGDP-13C2[-H+]-	ME131660	0.69	NA	1.31	NA

Factors:

F1	Treatment:13C6Glc_100ug/ml b-glucan \| Tissue type:nontumor
F2	Treatment:13C6Glc_100ug/ml b-glucan \| Tissue type:tumor
F3	Treatment:13C6Glc \| Tissue type:nontumor
F4	Treatment:13C6Glc \| Tissue type:tumor

Data matrix