Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST000043)

(Analysis AN000070)

Metabolite	Structure	F1	F2	F3
HOMOCYSTINE	ME648066	6.81	0.64	0.42
URDINE 5`-DIPHOSPHO-N-ACETYLGALACTOSAMINE	ME648162	2.52	0.61	0.26
ADENINE	ME647975	1.97	0.03	0.02
2`-DEOXYGUANOSINE 5`-MONOPHOSPHATE	ME647950	2.16	0.31	0.10
OPHTHALMIC ACID	ME648111	2.04	0.27	0.36
METHYL PARABEN	ME648086	1.98	0.53	0.43
6-PHOSPHOGLUCONIC ACID	ME647974	1.99	0.42	0.35
GUANOSINE 5` MONOPHOSPHATE	ME648059	1.94	0.45	0.23
SORBIC ACID	ME648146	1.28	0.88	0.47
GDP-GLUCOSE	ME648047	1.29	0.62	0.55
PENTOPYRANOSE	ME648116	1.18	0.59	0.59
2-HYDROXYPHENYLACETIC ACID	ME647954	1.52	0.59	0.45
HYDROXYPHENYLACETIC / MANDELIC ACID	ME648068	1.69	0.53	0.49
URIDINE 5`-DIPHOSPHATE	ME648165	1.58	0.89	0.35
ADENOSINE DIPHOSPHATE	ME647980	1.62	0.89	0.49
2`-DEOXYADENOSINE	ME647944	1.50	0.92	0.53
INOSINE 5`-DIPHOSPHATE	ME648074	1.48	0.89	0.45
11-BETA-HYDROXYANDROST-4-ENE-3,17-DIONE	ME647939	1.45	0.78	0.61
RIBOSE 5-PHOSPHATE	ME648137	1.66	0.65	0.72
ARG-VAL-TRP	ME647989	1.59	0.76	0.65
EDTA	ME648038	1.63	0.75	0.57
ADENOSINE 5`-DIPHOSPHATE	ME647978	1.66	0.89	0.98
17ALPHA-HYDROXYPROGESTERONE	ME647941	1.56	0.50	0.75
DIACYL-PHOSPHATIDYLCHOLINE	ME648028	1.65	0.60	0.88
DOCOSAHEXAENOIC ACID	ME648037	1.34	0.53	0.83
METHYL JASMONATE	ME648085	1.38	0.54	0.74
ESTRADIOL 17 ALPHA	ME648041	1.33	0.62	1.00
SPHINGOMYELIN	ME648150	1.33	0.68	0.91
3,3`-DITHIODIVALINE	ME647957	1.22	0.66	0.08
5-HYDROXY-L-TRYPTOPHAN	ME647972	1.36	NA	0.64
ADP-RIBOSE	ME647981	1.26	0.10	0.16
4-METHYL-2-OXOPENTANOATE	ME647968	1.33	0.32	0.34
LUMICHROME	ME648078	1.11	0.26	0.31
1,2-DIPALMITOYL-SN-GLYCEROL	ME647938	0.50	0.55	1.95
CYSTINE	ME648015	0.62	0.85	1.96
GLYCEROL PHOSPHATE	ME648054	0.25	0.86	1.37
ERYTHRITOL	ME648040	0.73	0.80	1.58
INOSINE	ME648073	0.44	0.81	1.59
HEXOSE	ME648062	0.58	0.88	1.54
N-ACETYLPUTRESCINE	ME648098	0.59	0.87	1.54
THEOPHYLLINE	ME648153	1.13	0.78	0.81
BOC-PHE-OH	ME648002	1.38	0.77	0.85
DEOXYCORTICOSTERONE	ME648023	1.39	0.88	0.85
CAFFEINE	ME648003	1.23	0.95	0.78
N-ACETYL-D-HEXOSAMINE	ME648091	1.29	0.96	0.80
[13C]-GLUTAMATE	ME647928	1.26	0.83	0.90
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID	ME647953	1.27	0.86	0.87
4-GUANIDINOBUTANOIC ACID	ME647967	1.27	0.89	0.84
NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE	ME648104	1.27	1.12	0.58
PYRIDOXAL	ME648131	1.37	1.08	0.55
ADENOSINE 5`-MONOPHOSPHATE	ME647979	1.04	0.98	0.62
MANNOSE-6-PHOSPHATE	ME648081	1.19	1.03	0.89
N-ACETYL-L-ASPARTIC ACID	ME648095	1.13	1.16	0.66
CITRATE	ME648006	1.19	1.10	0.71
POSSIBLE L-LEUCYL-L-LEUCINE	ME648126	1.20	1.09	0.71
ASPARTATE	ME647992	1.23	1.01	0.74
CYTIDINE 5`-DIPHOSPHOCHOLINE	ME648019	1.19	1.06	0.76
GLUCOSAMINE 6-SULFATE	ME648049	1.17	1.02	0.73
[13C]-LYSINE	ME647930	1.07	0.91	1.01
BOC-ASN	ME647998	1.07	0.92	1.01
[13C]-TYROSINE	ME647935	1.06	0.95	0.99
O-ACETYL-L-CARNITINE	ME648108	1.08	0.94	0.99
[13C]-THREONINE	ME647934	1.02	0.97	1.01
PTERIN	ME648130	1.04	0.96	1.00
DIMETHYLBENZIMIDAZOLE	ME648034	1.02	0.94	1.06
UREA	ME648163	1.00	0.94	1.03
HOMOCYSTEINE	ME648065	1.02	0.84	1.05
UROCANATE	ME648167	1.03	0.81	1.01
PENTITOL	ME648115	1.01	0.87	1.12
ENKEPHALINE, (D-ALA)2-LEU	ME648039	1.05	0.88	1.09
MELATONIN	ME648082	1.02	0.89	1.08
ORNITHINE	ME648112	1.10	0.84	1.04
N-CYCLOHEXYLFORMAMIDE	ME648100	1.08	0.87	1.04
[13C]-LEUCINE	ME647929	1.06	0.89	1.05
ANDROSTERONE	ME647986	1.05	0.89	1.05
2`-DEOXYCYTIDINE	ME647946	1.12	0.93	0.95
DIMETHYLXANTHINE	ME648035	1.10	0.86	0.95
2-METHYLMALEATE	ME647956	1.14	0.89	1.00
FOLIC ACID	ME648044	1.13	0.89	0.98
PREGNENOLONE	ME648127	1.12	0.88	0.98
GLYCOLITHOCHOLIC ACID ETHYL ESTER	ME648056	1.16	0.84	0.91
PROGESTERONE	ME648128	1.20	0.92	0.93
DIHYDROFOLATE	ME648030	1.24	0.75	0.94
N-ACETYL-L-LEUCINE	ME648096	1.19	0.79	1.03
ANTHRANILATE	ME647987	1.17	0.80	0.99
CORTICOSTERONE	ME648007	1.15	0.81	0.97
RIBULOSE 1,5-BISPHOSPHATE	ME648138	1.16	0.58	0.96
BENZOIN	ME647993	1.10	0.68	1.00
CORTISOL 21-ACETATE	ME648008	1.21	0.67	1.01
CORTISONE	ME648009	1.22	0.65	1.12
BOC-ASP-OH	ME647999	1.16	0.73	1.11
SHIKIMATE	ME648144	1.18	0.71	1.10
N(PAI)-METHYL-L-HISTIDINE	ME648088	1.03	0.72	1.16
GLUTAMINE	ME648051	1.07	0.81	1.12
[13C]-ARGININE	ME647926	1.09	0.79	1.12
GUANOSINE 5`-DIPHOSPHATE	ME648060	1.09	0.77	1.13
DEOXYRIBOSE	ME648024	1.06	0.77	1.04
SALSOLINOL	ME648141	1.11	0.78	1.06
12-HYDROXY-DODECANOIC ACID	ME647940	1.14	0.45	1.05
BOC-ALA (+NA)	ME647996	1.10	0.62	1.28
BOC-ALA-OH	ME647997	1.19	0.60	1.23
TAURINE	ME648152	0.90	1.28	0.87
CYTIDINE	ME648016	0.86	1.33	0.81
SPERMIDINE	ME648147	0.88	1.30	0.83
ASCORBATE	ME647990	0.76	1.35	0.78
S-ADENOSYL-L-HOMOCYSTEINE	ME648140	0.77	1.34	0.86
3-HYDROXYANTHRANILATE	ME647961	0.76	1.39	0.85
PHOSPHOGLYCERIC ACID	ME648123	0.76	1.39	0.88
3`-CMP	ME647959	0.73	1.24	0.97
RAFFINOSE	ME648135	0.76	1.23	1.00
ALLANTOIN	ME647983	0.82	1.29	0.98
5-OXO-PROLINE	ME647973	0.75	1.30	0.95
VALINE	ME648168	0.75	1.31	0.95
PANTOTHENIC ACID	ME648114	0.82	1.28	0.90
PROLINE	ME648129	0.79	1.31	0.90
HYPOTAURINE	ME648069	0.84	1.14	0.90
CYTIDINE 5`-MONOPHOSPHATE	ME648020	0.83	1.25	0.95
GLUTAMIC ACID	ME648050	0.83	1.24	0.93
AMINOHYDROXYBUTANOIC ACID	ME647985	0.85	1.22	0.93
XANTHINE	ME648169	0.85	1.24	0.91
DI-LINOLEOYL-3-SN-PHOSPHATIDYLCHOLINE (POSSIBLY)	ME648033	0.91	1.18	0.91
GUANINE	ME648057	0.88	1.21	0.91
METHIONINE	ME648083	0.86	1.19	0.94
2`-DEOXYADENOSINE 5`-DIPHOSPHATE	ME647945	0.83	1.07	0.98
1-METHYLADENOSINE	ME647942	0.82	1.18	1.00
GLYCERIC ACID	ME648053	0.79	1.17	0.98
TYROSINE	ME648160	0.87	1.14	0.99
PYRIDOXINE	ME648134	0.83	1.15	1.02
CITRAMALATE	ME648005	0.85	1.15	1.02
PHENYLALANINE	ME648118	0.85	1.13	1.02
THIOPURINE S-METHYLETHER	ME648154	0.90	1.01	1.18
LEUCINE	ME648077	0.86	0.99	1.15
LYSINE	ME648079	0.89	1.01	1.11
GUANOSINE	ME648058	0.86	1.01	1.13
HISTIDINE	ME648064	0.86	1.02	1.11
HYPOXANTHINE	ME648070	0.79	1.05	1.15
PHENYLACETIC ACID	ME648117	0.83	1.06	1.05
ASPARAGINE	ME647991	0.82	1.08	1.09
DEOXYCHOLATE	ME648022	0.84	1.06	1.09
HOMOSERINE	ME648067	0.84	1.06	1.10
N-CYCLOHEXYLSULFAMIC ACID	ME648101	0.89	1.06	1.05
N6-(DELTA2-ISOPENTENYL)-ADENINE	ME648090	0.90	1.03	1.05
N-ACETYL-DL-GLUTAMIC ACID	ME648092	0.90	1.03	1.07
FORMYL-L-METHIONINE	ME648045	0.92	1.11	1.00
CREATININE	ME648011	0.92	1.06	1.02
METHYL BETA-D-GALACTOSIDE	ME648084	0.92	1.08	1.00
PIPECOLIC ACID	ME648125	0.92	1.07	1.00
DIHEXOSE	ME648029	1.03	1.02	0.95
[13C]-PHENYLALANINE	ME647932	0.99	1.04	0.98
BIS(2-ETHYLHEXYL)PHTHALATE	ME647995	1.00	1.02	0.98
INDOXYL	ME648072	1.00	1.01	0.98
DETHIOBIOTIN	ME648025	0.95	1.01	1.05
MONO-ETHYL MALONATE	ME648087	0.93	1.03	1.04
O-PHOSPHONOHEXOPYRANOSE	ME648110	0.96	0.99	1.07
URIDINE-5-MONOPHOSPHATE	ME648166	0.98	0.98	1.04
CYSTEINE	ME648014	0.98	1.00	1.04
ETHYL 4-OXOCYCLOHEXANECARBOXYLATE	ME648042	0.98	0.99	1.03
GLUCOSAMINE 6-PHOSPHATE	ME648048	1.02	1.11	0.90
SELENOCYSTAMINE	ME648142	1.00	1.10	0.93
AMINOHYDROXYBENZOIC ACID	ME647984	1.00	1.08	0.92
[13C]-VALINE	ME647936	0.99	1.10	0.91
URATE	ME648161	1.00	1.09	0.91
RIBOFLAVIN	ME648136	0.97	1.05	0.95
PHTHALATE	ME648124	0.99	1.08	0.94
DIOLEOYLPHOSPHATIDYLCHOLINE	ME648036	0.96	1.09	0.95
STACHYOSE	ME648151	0.97	1.09	0.94
[13C]-ASPARTIC ACID	ME647927	0.91	1.13	0.96
TRIGONELLINE	ME648157	0.92	1.12	0.96
CREATINE	ME648010	0.95	1.13	0.92
N-ACETYLSEROTONIN	ME648099	0.95	1.15	0.91
2-AMINOPHENOL	ME647951	1.10	1.00	0.87
PHOSPHO(ENOL)PYRUVIC ACID	ME648120	1.11	0.99	0.87
[13C]-METHIONINE	ME647931	1.07	1.03	0.90
CYSTEIC ACID	ME648013	1.01	1.06	0.87
2-METHYLGLUTARIC ACID	ME647955	1.05	1.04	0.85
KYNURENINE	ME648076	1.06	1.08	0.86
[13C]-PROLINE	ME647933	1.05	1.07	0.88
ALANINE	ME647982	1.05	1.07	0.89
3-UREIDOPROPIONIC ACID	ME647963	1.03	1.23	0.71
5`-METHYLTHIOADENOSINE	ME647970	1.02	1.21	0.74
3-HYDROXY-3-METHYLGLUTARATE	ME647960	0.99	1.12	0.81
1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE	ME647937	1.03	1.18	0.80
XANTHOSINE	ME648170	1.05	1.15	0.82
3,5-DIIODO-L-THYRONINE	ME647958	1.08	1.17	0.91
N-ACETYL-L-ALANINE	ME648094	1.14	1.16	0.80
CREATININE FROM COMPLEX	ME648012	0.89	0.69	1.45
N,N,N-TRIMETHYLLYSINE	ME648089	0.85	0.79	1.32
PHOSPHATE	ME648119	0.72	0.98	1.30
GLYCINE	ME648055	0.73	0.94	1.24
N-ACETYLNEURAMINATE	ME648097	0.78	0.94	1.28
TRANS-CYCLOHEXANE-1,2-DIOL	ME648156	0.97	0.92	1.12
CARNOSINE	ME648004	0.90	0.90	1.14
PYRIDOXAMINE	ME648133	0.90	0.91	1.19
BIOTIN	ME647994	0.89	0.90	1.18
CYTOSINE	ME648021	0.88	0.90	1.17
2`-DEOXYCYTIDINE 5`-DIPHOSPHATE	ME647947	0.93	0.84	1.24
ARGININE	ME647988	0.88	0.87	1.25
PHOSPHOCHOLINE	ME648121	0.79	1.12	1.10
TRYPTOPHAN	ME648158	0.76	1.15	1.12
XANTHOSINE 5`-MONOPHOSPHATE	ME648171	0.67	1.17	1.12
4-ACETAMIDOBUTANOATE	ME647964	0.71	1.10	1.14
HIPPURATE	ME648063	0.70	1.12	1.20
INDOLE-3-ACETIC ACID	ME648071	0.47	1.05	1.24
4-AMINOBENZOATE	ME647965	0.54	1.08	1.38
CYTIDINE 2`,3`-CYCLIC MONOPHOSPHATE (CCMP)	ME648017	0.62	1.03	1.35
HEXITOL	ME648061	0.64	1.05	1.31
5`-DEOXYADENOSINE	ME647969	0.55	1.82	0.42
DIACYL-GLYCEROPHOSPHOCHOLINE (C50H82NO8P PROBABLY)	ME648027	0.76	1.74	0.50
N-ACETYL-DL-METHIONINE	ME648093	0.72	1.67	0.68
ISOCITRIC ACID	ME648075	1.04	1.52	0.76
THYMIDINE	ME648155	0.97	1.62	0.79
DGTP	ME648026	0.91	1.55	0.59
NICOTINAMIDE HYPOXANTHINE DINUCLEOTIDE	ME648105	0.94	1.50	0.55
MALATE	ME648080	0.86	1.49	0.65
5-HYDROXYINDOLE-3-ACETIC ACID	ME647971	0.83	1.43	0.74
PYRIDOXAL 5`-PHOSPHATE	ME648132	0.82	1.47	0.72
O-PHOSPHO-DL-SERINE	ME648109	0.75	1.54	0.74
SPERMINE	ME648148	0.69	1.50	0.81
FLAVIN ADENINE DINUCLEOTIDE	ME648043	0.96	1.21	0.31
2-DEOXY-D-GLUCOSE	ME647952	1.24	1.35	0.53
BOC-HIS-OH	ME648000	0.92	1.28	0.69
DIHYDROOROTATE	ME648031	0.91	1.19	0.65
SPHINGANINE	ME648149	0.94	1.36	0.47
CYTIDINE 5`-DIPHOSPHATE	ME648018	1.09	1.26	0.52
NICOTINAMIDE ADENINE DINUCLEOTIDE	ME648103	1.07	1.32	0.61
NICOTINIC ACID ADENINE DINUCLEOTIDE PHOSPHATE	ME648107	1.07	1.32	0.61
1-OLEOYL-RAC-GLYCEROL	ME647943	1.05	1.31	0.63
NICOTINAMIDE	ME648102	1.07	1.30	0.65
NICOTINAMIDE MONONUCLEOTIDE	ME648106	0.99	1.33	0.57
PHOSPHOCREATINE	ME648122	1.04	1.41	0.56
ADENOSINE 3`,5`-CYCLIC MONOPHOSPHATE	ME647977	0.14	1.75	0.29
2`-DEOXYGUANOSINE 5`-DIPHOSPHATE	ME647949	NA	1.14	0.88
2`-DEOXYGUANOSINE	ME647948	0.33	2.02	0.78
ADENOSINE	ME647976	0.35	1.67	0.94
SN-GLYCERO-3-PHOSPHOCHOLINE	ME648145	0.20	1.81	0.99
GLUTATHIONE	ME648052	0.49	1.31	1.16
TRYPTOPHANAMIDE	ME648159	0.46	1.34	1.20
OROTIDINE 5`-MONOPHOSPHATE	ME648113	0.52	1.40	0.99
S-ADENOSYL METHIONINE	ME648139	0.59	1.48	1.06
DIHYDROXYACETONE PHOSPHATE	ME648032	0.42	1.52	1.00
SEROTONIN	ME648143	0.38	1.43	1.06
URIDINE	ME648164	0.39	1.46	1.15
BOC-LYS-OH	ME648001	0.37	1.32	0.67
4-AMINOBENZOYLGLUTAMIC ACID	ME647966	0.51	1.57	0.83
FRUCTOSE 1,6-BIPHOSPHATE	ME648046	0.40	1.58	0.72

Factors:

F1	Cell line:MDA-MB-231
F2	Cell line:MDA-MB-231 p38 gamma knockdown
F3	Cell line:MDA-MB-231 scrambled control

Data matrix