Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST004440)

(Analysis AN007435)

Metabolite	Structure	F1	F2	F3	F4
D-Fructose 1-6-bisphosphate 13C6	ME1240122	0.11	0.14	0.07	3.68
D-Glucose 6/1-phosphate 13C6	ME1240119	0.02	0.11	NA	2.13
Sedoheptulose 1/7-phosphate 13C4	ME1240156	0.16	0.16	NA	2.26
D-Glyceraldehyde 3-phosphate/Glycerone phosphate 13C3	ME1240124	0.12	0.22	0.17	2.63
Sedoheptulose 1/7-phosphate 13C3	ME1240155	0.23	0.04	0.05	2.82
D-Fructose 1-6-bisphosphate 13C3	ME1240121	NA	0.01	0.02	2.97
D-Glucose 6/1-phosphate 13C3	ME1240118	NA	0.01	0.01	2.98
Lactate 13C3	ME1240132	0.04	1.54	0.03	2.39
5^-Phosphoribosyl-N-formylglycinamide	ME1240101	0.04	0.60	0.70	1.95
D-Glucose 13C6	ME1240116	NA	0.55	NA	1.45
D-Erythrose 4-phosphate	ME1240153	NA	0.07	1.28	0.96
Fumarate 13C2	ME1240145	0.83	0.19	1.44	1.53
Malate 13C2	ME1240148	0.67	0.36	1.58	1.39
1-4-beta-D-Xylan	ME1240171	0.37	0.40	1.58	1.65
D-Ribose	ME1240134	0.43	0.61	1.55	1.41
D-Fructose 1-6-bisphosphate	ME1240120	0.03	0.03	2.31	1.62
D-Glucose 6/1-phosphate	ME1240117	0.04	0.04	2.38	1.54
Sedoheptulose 1/7-phosphate	ME1240154	0.08	0.09	2.32	1.52
D-Glyceraldehyde 3-phosphate/Glycerone phosphate	ME1240123	0.22	0.38	1.91	1.50
Mannitol/Sorbitol	ME1240133	0.11	0.15	1.97	1.78
Citrate 13C3	ME1240137	3.08	0.25	0.57	0.10
Succinate 13C4	ME1240143	3.07	0.35	0.23	0.35
Citrate 13C4	ME1240138	1.87	0.03	0.38	NA
Citrate 13C5	ME1240139	1.74	NA	0.26	NA
2-Oxoglutarate 13C5	ME1240141	1.19	NA	0.23	NA
N-Acetylneuraminate	ME1240170	1.02	NA	0.98	NA
Glutathione 13C4	ME1240161	1.43	0.07	0.80	NA
Glutathione 13C5	ME1240162	1.38	NA	0.62	NA
Malate 13C4	ME1240150	0.96	0.00	1.54	0.00
2S-5S-Methionine sulfoximine	ME1240179	1.38	0.02	1.36	0.02
Fumarate 13C4	ME1240146	1.36	0.02	1.61	0.03
Glutathione 13C3	ME1240160	2.23	0.12	1.57	0.08
Malate 13C3	ME1240149	2.01	0.11	1.58	0.30
Glutathione 15N1	ME1240165	2.24	0.38	1.12	0.25
Glutathione 13C3 15N1	ME1240163	1.73	0.18	1.08	0.21
Glutathione 13C5 15N1	ME1240164	2.02	0.07	0.92	0.05
2-Oxoglutarate	ME1240140	0.87	2.75	0.14	0.23
NAD+ 15N1	ME1240111	1.06	0.94	NA	NA
NAD+	ME1240109	1.09	0.91	NA	NA
NAD+ 13C2	ME1240110	1.08	0.92	NA	NA
NADH	ME1240112	1.08	0.92	NA	NA
ADP-D-ribose	ME1240107	1.72	1.76	0.01	0.02
Xanthine	ME1240097	2.25	1.01	0.32	0.22
2/3-Phospho-D-glycerate 13C3	ME1240127	NA	1.70	0.40	0.60
L-histidine	ME1240076	0.86	1.13	0.96	1.05
Docosahexaenoic acid	ME1240199	0.91	0.99	1.00	1.10
Pyridoxal	ME1240103	0.87	1.01	1.00	1.12
5-6-Dihydrouracil	ME1240177	0.79	1.03	1.04	1.13
dCMP	ME1240086	0.76	1.02	1.04	1.18
Phosphoenolpyruvate	ME1240128	0.87	0.83	1.34	0.95
(7Z-10Z-13Z-16Z-19Z)-Docosa-7-10-13-16-19-pentaenoic acid	ME1240202	0.94	0.86	1.14	1.05
5-6-Dihydrothymine	ME1240102	0.81	0.96	1.21	1.03
alpha-D-Ribose 1-phosphate	ME1240157	0.85	0.92	1.16	1.07
UDP	ME1240091	1.04	0.90	0.80	1.26
Hexadecenoic acid	ME1240193	1.28	1.02	0.85	0.85
Linoleate	ME1240195	1.27	0.96	0.87	0.89
Lactate	ME1240131	1.16	1.10	0.80	0.94
Thymidine	ME1240089	1.17	1.10	0.87	0.85
Eicosapentaenoic acid	ME1240198	1.15	0.85	0.98	1.02
Eicosatetraenoic acid	ME1240197	1.11	0.80	1.07	1.02
Tetradecenoic acid	ME1240192	1.02	1.08	0.81	1.09
(8Z-11Z-14Z)-Icosatrienoic acid	ME1240201	1.12	0.94	0.98	0.96
Octadecenoic acid	ME1240194	1.15	0.98	0.89	0.99
Octanoic acid (caprylate)	ME1240185	1.01	0.97	0.89	1.14
Dodecanoic acid	ME1240188	1.07	0.99	0.90	1.05
Octadecanoic acid	ME1240191	1.07	0.95	0.93	1.06
Hexadecanoic acid	ME1240190	1.09	0.95	0.89	1.08
Tetradecanoic acid	ME1240189	1.10	0.94	0.89	1.07
Decanoic acid (caprate)	ME1240187	1.05	0.95	0.97	1.03
Heptanoic acid	ME1240184	1.03	1.00	0.94	1.03
Nonanoic acid (pelargonate)	ME1240186	1.03	0.98	0.94	1.05
ADP	ME1240080	1.09	1.07	0.93	0.91
D-Glucose	ME1240115	1.05	1.10	0.92	0.93
gamma-L-Glutamylputrescine	ME1240168	0.98	1.03	0.99	1.00
Hexanoic acid (caproate)	ME1240183	0.98	1.03	0.97	1.03
Dodecanedioic acid	ME1240200	1.01	1.02	1.02	0.96
Octadecatrienoic acid	ME1240196	1.05	1.02	1.01	0.92
IMP	ME1240094	0.90	1.25	1.07	0.78
(S)(+)-Allantoin	ME1240099	1.02	1.26	0.62	1.10
Creatinine	ME1240174	1.22	1.25	0.63	0.89
Glutathione	ME1240159	1.04	1.37	0.76	0.83
Taurine	ME1240178	1.07	1.24	0.87	0.82
S-Adenosyl-L-homocysteine	ME1240169	0.56	0.81	1.03	1.91
Adenylosuccinic acid	ME1240105	0.58	0.72	1.11	1.59
L-aspartate	ME1240075	0.52	0.76	1.23	1.49
6-Phospho-D-gluconate	ME1240152	0.78	0.75	1.17	1.30
Pyruvate	ME1240130	0.72	0.67	1.34	1.27
UMP	ME1240092	0.40	1.07	1.17	1.35
GMP	ME1240083	0.68	0.94	1.11	1.27
Allantoate	ME1240098	0.60	1.16	1.03	1.22
Malate	ME1240147	0.49	1.13	1.01	1.37
Fumarate	ME1240144	0.60	1.07	0.95	1.39
Inosine	ME1240095	0.66	1.03	0.99	1.32
Flavin mononucleotide	ME1240108	0.65	1.12	0.76	1.23
Diphosphate	ME1240114	0.76	1.04	0.69	1.50
Phosphate	ME1240113	0.77	0.95	0.90	1.38
ATP	ME1240078	1.68	1.40	0.53	0.39
GTP	ME1240081	1.68	1.51	0.38	0.43
Carnosine	ME1240173	1.54	1.19	0.56	0.71
Citrate 13C2	ME1240136	1.47	1.41	0.36	0.76
dTMP	ME1240088	1.50	1.39	0.50	0.61
Urate	ME1240100	1.40	1.44	0.50	0.65
GDP	ME1240082	1.52	1.08	0.81	0.59
Glycerol 3-phosphate	ME1240182	1.35	1.20	0.78	0.67
Cytidine	ME1240087	1.41	1.10	0.75	0.74
Uracil	ME1240093	1.40	1.10	0.81	0.69
1/2-3-Bisphosphoglycerate	ME1240125	1.42	1.36	0.79	0.42
2/3-Phospho-D-glycerate	ME1240126	1.35	1.43	0.74	0.48
4-Acetamidobutanoate	ME1240175	1.17	1.42	0.81	0.60
UDP-glucose	ME1240106	1.25	1.51	0.66	0.58
UTP	ME1240090	1.05	1.93	0.45	0.57
Citrate	ME1240135	1.08	2.06	0.40	0.46
CTP	ME1240084	0.99	2.04	0.44	0.54
2-Hydroxyglutarate/Citramalate	ME1240151	0.75	2.08	0.36	0.80
Dehydroascorbate	ME1240166	0.88	1.91	0.46	0.75
Itaconate	ME1240203	0.82	1.92	0.46	0.80
Hypoxanthine	ME1240096	1.06	1.68	0.51	0.75
Succinate	ME1240142	1.46	1.68	0.33	0.53
ATP 15N1	ME1240079	1.32	1.77	0.50	0.40
UDP-N-acetyl-D-glucosamine	ME1240172	1.36	1.76	0.47	0.40
N-Succinyl-L-glutamate 5-semialdehyde	ME1240176	1.24	1.71	0.47	0.58
5-Hydroxyindoleacetate	ME1240180	1.27	1.83	0.41	0.50
gamma-L-Glutamyl-D-alanine	ME1240167	1.21	1.85	0.37	0.57
L-cystine	ME1240077	1.01	1.61	0.84	0.54
5-Phospho-alpha-D-ribose 1-diphosphate	ME1240158	0.91	1.66	0.79	0.64
g-Oxalo-crotonate	ME1240181	0.87	1.62	0.91	0.59
Phosphoenolpyruvate 13C2	ME1240129	0.59	1.78	0.65	0.89
4-Pyridoxate	ME1240104	0.73	1.49	0.81	0.97
CDP	ME1240085	0.69	1.61	0.70	0.99

Factors:

F1	Treatment:DMSO \| Timepoint:12H \| Sample source:MDS-L Cells
F2	Treatment:DMSO \| Timepoint:3H \| Sample source:MDS-L Cells
F3	Treatment:OT \| Timepoint:12H \| Sample source:MDS-L Cells
F4	Treatment:OT \| Timepoint:3H \| Sample source:MDS-L Cells

Data matrix