Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST000751)

(Analysis AN001178)

Metabolite	Structure	F1	F2
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (M+CL)-	ME207986	1.04	0.97
GLUTARIC ACID (M-H)-	ME208035	0.96	1.04
AZELAIC ACID (M-H)-	ME207979	1.07	0.91
GLUTAMIC ACID (M-H)-	ME208033	1.17	0.83
EPIBRASSINOLIDE [ISTD] (M+CL)-	ME208021	1.01	0.99
ERUCIC ACID (M-H)-	ME208022	1.02	0.98
DIPALMITOYL PHOSPHATIDYLETHANOLAMINE (M-H)-	ME208018	1.00	1.00
DEOXYADENOSINE (M+CL)-	ME208009	0.98	1.07
ARACHIDONATE #2 (M-H)-	ME207975	0.94	1.06
CITRULLINE (M-H)-	ME207994	NA	1.00
UROCANIC ACID (M-H)-	ME208159	1.23	0.77
TRICOSANOIC ACID (M-H)-	ME208144	1.09	0.91
TRICARBALLYLIC ACID (M-H)-[-H2O]	ME208143	0.81	1.19
TRICARBALLYLIC ACID (M-H)-	ME208142	0.34	1.33
TRANS-ACONITIC ACID (M-H)-	ME208141	0.47	1.53
THYMINE (M-H)-	ME208140	0.90	1.10
THYMIDINE (M+CL)-	ME208137	0.89	1.11
THEOPHYLLINE (M-H)-	ME208136	NA	1.00
TAURINE (M-H)-	ME208135	0.83	1.17
SUCROSE (M+CL)-	ME208134	1.12	0.88
STEARIC ACID (M-H)-	ME208131	0.93	1.07
STACHYOSE (M+CL)-	ME208129	1.36	0.64
S-ADENOSYL-L-HOMOCYSTEINE (M-H)-	ME208125	0.91	1.09
RIBOSE (M+CL)-	ME208123	0.93	1.09
PHENYLPYRUVIC ACID (M-H)-	ME208110	NA	1.00
PANTOTHENIC ACID (M+CL)-	ME208107	1.00	1.00
OMEGA-HYDROXYDODECANOIC ACID (M-H)-	ME208101	0.77	1.46
NAD (M-H)-	ME208096	0.95	1.22
M-HYDROXYMANDELIC ACID (2M-H)-	ME208072	1.00	NA
MEVALONIC ACID (M-H)-	ME208081	1.00	NA
METHYL BETA-D-GALACTOSIDE (M+CL)-	ME208079	0.96	1.04
MALONIC ACID (M-H)-	ME208076	1.07	0.94
MALIC ACID (M-H)+[-H2O]	ME208074	1.22	0.88
MALEIC ACID (M-H)-	ME208073	1.04	0.96
L-[15N]ANTHRANILIC ACID [ISTD] (M-H)-	ME208066	0.99	1.01
KYNURENINE (M-H)-	ME208060	0.94	1.06
HEXACOSANOIC ACID (M-H)-	ME208046	1.00	NA
HEPTADECANOIC ACID (M-H)-	ME208045	0.94	1.06
GUANOSINE (M+CL)-	ME208042	1.01	0.99
GLYOXYLIC ACID (M-H)-	ME208040	NA	1.00
GLYCOCHOLIC ACID (M-H)-	ME208039	0.76	1.37
GLYCEROL 2-PHOSPHATE (M-H)-	ME208037	0.30	1.28
GLUTAMINE (M-H)-	ME208034	0.77	1.23
GLUCONIC ACID (M-H)-	ME208030	0.77	1.12
FUMARIC ACID (M-H)-	ME208026	0.83	1.17
D-GLUCOSE 6-PHOSPHATE (M-H)-	ME208004	0.67	1.38
D-GLUCOSAMINE 6-SULFATE (M-H)-[-H2O]	ME208003	0.77	1.23
DGDP (M-H)-	ME208014	NA	1.00
DECANOIC ACID (M-H)-	ME208005	0.95	1.05
CYTIDINE 5^-DIPHOSPHOCHOLINE (M+CL)-	ME208001	0.79	1.10
CYTIDINE 5^-DIPHOSPHOCHOLINE (2M-H)-	ME208000	1.00	NA
CYSTINE (M-H)-	ME207998	1.03	0.97
CORTISOL 21-ACETIC ACID (M+CL)-	ME207996	1.00	NA
CORTICOSTERONE (M+CL)-	ME207995	1.09	0.87
CITRAMALIC ACID (M-H)-	ME207992	NA	1.00
CHOLIC ACID (M-H)-	ME207990	0.60	1.40
CHOLIC ACID (M+CL)-	ME207989	0.78	1.15
BIOTIN (M-H)-	ME207984	0.94	1.05
BILIVERDIN (M-H)-	ME207983	0.88	1.12
BENZOIC ACID #2 (M-H)-	ME207981	1.00	NA
ALLANTOIN (M-H)-	ME207972	1.00	1.01
ADP-RIBOSE (M-H)-	ME207971	0.55	1.45
ADIPIC ACID (M-H)-	ME207970	1.12	0.88
ADENOSINE 5^-PHOSPHOSULFATE (M-H)-	ME207969	NA	1.00
5-METHYLTETRAHYDROFOLIC ACID (M-H)-	ME207965	0.95	1.05
5-HYDROXYTRYPTOPHAN (M-H)-	ME207964	0.85	1.07
5-HYDROXYINDOLEACETIC ACID (M-H)-	ME207963	0.84	1.16
4-PYRIDOXIC ACID (M-H)-	ME207961	1.16	0.84
4-METHYL-2-OXOPENTANOIC ACID (M-H)-	ME207959	0.83	1.17
4-HYDROXYPHENYLACETIC ACID (M-H)-	ME207958	1.00	NA
4-HYDROXYBENZOIC ACID (M-H)-	ME207957	1.04	0.98
4-COUMARIC ACID (M-H)-	ME207956	1.17	0.71
3-UREIDOPROPIONIC ACID (M-H)-	ME207955	1.00	NA
3-(4-HYDROXYPHENYL)PYRUVIC ACID (M-H)-	ME207951	0.33	1.34
3-(4-HYDROXYPHENYL)LACTIC ACID (M-H)-	ME207950	0.92	1.08
3-(4-HYDROXYPHENYL)LACTIC ACID (2M-H)-	ME207949	0.90	1.05
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (M-H)-	ME207945	0.85	1.18
2-HYDROXY-3-METHYLBUTYRIC ACID (M-H)-	ME207944	0.83	1.17
2^-DEOXYINOSINE (M-H)-	ME207942	0.83	1.17
18:0 LYSO-PE (M-H)-	ME207940	0.94	1.06
16:0-18:0 PC (M+CL)-	ME207939	0.98	1.02
16:0 LYSO PC (M+CL)-	ME207938	0.96	1.04
FUMARIC ACID (2M-H)-	ME208025	0.85	1.07
GLUTATHIONE (OXIDIZED) (M-H)-	ME208036	0.93	1.07
RIBOSE 5-PHOSPHATE (M-H)-	ME208124	1.00	NA
DOCOSAHEXAENOIC ACID (M-H)-	ME208019	0.96	1.04
UDP-N-ACETYL-D-GLUCOSAMINE (M-H)-	ME208152	1.18	0.77
VALINE (M-H)-	ME208160	1.01	0.98
GDPMANNOSE (M-H)-	ME208028	1.01	0.97
TRYPTOPHAN (2M-H)-	ME208146	1.00	NA
3-METHYL-2-OXOPENTANOIC ACID (M-H)-	ME207954	0.74	1.26
N-ACETYL-L-LEUCINE (M-H)-	ME208090	1.02	0.98
SUBERIC ACID (M-H)-	ME208132	1.04	0.96
THYMIDINE 5^-MONOPHOSPHATE (M-H)-	ME208139	1.23	0.77
OXALOACETIC ACID (M-H)-[-H2O]	ME208104	1.04	0.96
SUCCINIC ACID (M-H)-	ME208133	0.97	1.03
2^-DEOXYINOSINE (M+CL)-	ME207941	1.02	0.96
2-HYDROXYBUTYRIC ACID (M-H)-	ME207946	1.01	0.99
ISOLEUCINE (M-H)-	ME208058	0.96	1.04
RIBOFLAVIN (M-H)-	ME208122	0.91	1.09
MANDELIC ACID (M-H)-	ME208077	0.83	1.08
2-DEOXY-D-GLUCOSE (M+CL)-	ME207943	1.45	0.55
L-HISTIDINE (M-H)-	ME208064	0.75	1.25
RIBOFLAVIN (M+CL)-	ME208121	1.00	1.00
GLYCEROL MYRISTATE (M+CL)-	ME208038	NA	1.00
L-FUCOSE 1-PHOSPHATE (2M-H)-	ME208063	0.98	1.02
N-ACETYL-D-GLUCOSAMINE (M+CL)-	ME208085	0.88	1.08
PROTOPORPHYRIN (M-H)-	ME208115	0.93	1.07
N-FORMYLGLYCINE (M-H)-	ME208095	NA	1.00
XANTHOSINE (M-H)-	ME208162	1.15	0.85
METHYLMALONIC ACID (M-H)-	ME208080	0.57	1.34
MYRISTIC ACID (M-H)-	ME208082	1.01	0.99
GUANINE (M-H)-	ME208041	0.77	1.92
UDP-N-ACETYL-D-GALACTOSAMINE (M-H)-	ME208151	0.22	1.39
RAFFINOSE (M+CL)-	ME208118	1.31	0.69
HIPPURIC ACID (M-H)-	ME208047	1.00	1.00
GUANOSINE 5^-PHOSPHATE (M-H)-	ME208044	0.96	1.11
PYRUVIC ACID (M-H)-	ME208117	1.51	0.62
N-ACETYL-DL-SERINE (M-H)-	ME208088	1.18	0.88
3-HYDROXYKYNURENINE (M-H)-	ME207953	1.18	0.91
ISOCITRIC ACID (M-H)-	ME208057	1.15	0.85
MALIC ACID (M-H)-	ME208075	0.62	1.38
LAURIC ACID (M-H)-	ME208067	0.93	1.07
PURINE (M-H)-	ME208116	1.00	NA
NERVONIC ACID (M-H)-	ME208097	1.00	1.00
TRYPTOPHAN (M-H)-	ME208147	0.98	1.02
GUANOSINE (M-H)-	ME208043	1.00	1.00
SERINE (M-H)-	ME208127	0.87	1.13
PALMITIC ACID (M-H)-	ME208105	0.91	1.09
LINOLEIC ACID (M-H)-	ME208069	0.91	1.09
N-ACETYL-DL-METHIONINE (M-H)-	ME208087	0.99	1.01
2-METHYLMALEIC ACID (M-H)-	ME207948	0.80	1.31
HOMOSERINE (M-H)-	ME208048	1.37	0.68
OLEIC ACID (M-H)-	ME208100	0.92	1.08
PHENYLALANINE (M-H)-	ME208109	0.96	1.04
UDP-GLUCOSE (M-H)-	ME208149	1.33	0.67
N-ACETYL-ASPARTIC ACID (M-H)-	ME208084	1.28	0.43
URACIL (M-H)-	ME208153	0.99	1.02
UDP-N-ACETYL-D-GALACTOSAMINE (M-H)+[-H2O]	ME208150	NA	1.00
GALACTARIC ACID (M-H)-	ME208027	1.00	NA
URIC ACID (M-H)-	ME208155	1.08	0.92
HOMOVANILLIC ACID (2M-H)-	ME208049	1.00	1.00
INOSINE (M-H)-	ME208054	0.84	1.16
PALMITOLEIC ACID (M-H)-	ME208106	0.97	1.03
URIDINE-5-MONOPHOSPHATE (M-H)-	ME208158	0.98	1.02
XANTHINE (M-H)-	ME208161	1.03	0.97
XANTHOSINE 5^-PHOSPHATE (M-H)-	ME208163	0.62	1.38
INOSINE 5^-DIPHOSPHATE (M-H)-	ME208055	0.79	1.83
ZEATIN [ISTD] (M+CL)-	ME208164	1.04	0.96
OXALIC ACID (M-H)-	ME208103	0.65	1.70
NICOTINAMIDE HYPOXANTHINE DINUCLEOTIDE (M-H)-	ME208098	0.92	1.16
SN-GLYCERO-3-PHOSPHOCHOLINE (M+CL)-	ME208128	1.57	0.43
SEBACIC ACID (M-H)-	ME208126	1.00	NA
RIBITOL (M+CL)-	ME208120	1.28	0.44
N-ACETYL-D-TRYPTOPHAN (M-H)-	ME208086	0.97	1.04
MYRISTOLEIC ACID (M-H)-	ME208083	0.92	1.08
L-CARNITINE (M+CL)-	ME208062	1.35	0.59
2-METHYLMALEIC ACID #2 (M-H)-	ME207947	1.10	0.94
GERANYL DIPHOSPHATE (M-H)-	ME208029	NA	1.00
HYPOXANTHINE (M-H)-	ME208052	1.19	0.81
DEHYDROASCORBIC ACID (M+CL)-	ME208006	1.06	0.94
ZEATIN [ISTD] (M-H)-	ME208165	1.00	1.00
5^-METHYLTHIOADENOSINE (M+CL)-	ME207962	0.98	1.02
DUMP (M-H)-	ME208020	1.10	0.86
RETINOIC ACID (M-H)-	ME208119	1.37	0.63
CREATINE (M-H)-	ME207997	0.80	1.30
ADENOSINE 5^-MONOPHOSPHATE (2M-H)+	ME207967	NA	1.00
D-GLUCOSAMINE (M+CL)-	ME208002	NA	1.00
DEOXYURIDINE (M+CL)-	ME208012	0.83	1.17
ETHYLMALONIC ACID (M-H)-	ME208024	1.35	0.65
GLUCURONIC ACID (M-H)-	ME208032	NA	1.00
N-ACETYLNEURAMINIC ACID (M-H)-	ME208093	1.06	0.82
DEOXYURIDINE (M-H)-	ME208013	0.77	1.20
ARACHIDONIC ACID (M-H)-	ME207976	0.95	1.05
DEOXYCHOLIC ACID (M+CL)-	ME208010	0.94	1.03
BEHENIC ACID (M-H)-	ME207980	0.99	1.01
ALLOPREGNANOLONE (M+CL)-[-H2O]	ME207973	1.04	0.96
GLUCOSE (M+CL)-	ME208031	1.22	0.78
CIS-11-EICOSENOIC ACID (M-H)-	ME207991	0.99	1.01
ADENOSINE 5^-MONOPHOSPHATE (M-H)-	ME207968	NA	1.00
DEHYDROEPIANDROSTERONE SULFATE (M-H)-	ME208008	NA	1.00
CITRIC ACID (M-H)-	ME207993	1.85	0.15
TRIDECANOIC ACID (M-H)-	ME208145	1.01	0.99
N-ACETYL-L-PHENYLALANINE (M-H)-	ME208091	0.91	1.09
L-TRYPTOPHAN-15N2 [ISTD] (M-H)-	ME208065	1.00	1.00
N-ACETYLGLYCINE (M-H)-	ME208092	NA	1.00
BENZOIC ACID (M-H)-	ME207982	0.89	1.10
N-ACETYL-L-ALANINE (M-H)-	ME208089	0.98	1.02
DIHYDROOROTIC ACID (M-H)-	ME208016	0.72	1.28
ARACHIDIC ACID (M-H)-	ME207974	0.97	1.03
LYSINE (M-H)-	ME208070	0.78	2.09
DIHYDROXYFUMARIC ACID (M-H)-	ME208017	1.08	0.92
BIS-GAMMA-GLUTAMYLCYSTINE (M-H)-	ME207985	NA	1.00
CHOLESTEROL HYDROGEN SULFATE (M-H)-	ME207988	0.35	1.65
TYROSINE (M-H)-	ME208148	0.99	1.01
DIETHYLSTILBESTROL (M-H)-	ME208015	0.59	1.41
ASPARTIC ACID (M-H)-	ME207978	1.33	0.58
URIDINE (M-H)-	ME208157	0.92	1.08
STACHYOSE (M-H)-	ME208130	1.35	0.70
N-AMIDINO-ASPARTIC ACID (M+CL)+[-H2O]	ME208094	0.42	1.58
3-HYDROXY-3-METHYLGLUTARIC ACID (M-H)-	ME207952	0.84	1.16
THYMIDINE (M-H)-	ME208138	0.85	1.15
ETHANOLAMINE PHOSPHATE (M-H)-	ME208023	0.89	1.06
5-OXOPROLINE (M-H)-	ME207966	0.92	1.10
DEHYDROASCORBIC ACID (M-H)-	ME208007	1.00	NA
ASPARAGINE (M-H)-	ME207977	1.00	NA
DEOXYCHOLIC ACID (M-H)-	ME208011	0.71	1.49
4-NITROPHENOL (M-H)-	ME207960	1.18	0.74
CYTIDINE (M+CL)-	ME207999	NA	1.00
CAPRYLIC ACID (M-H)-	ME207987	0.77	1.23
PIMELIC ACID (M-H)-	ME208113	1.00	NA
PANTOTHENIC ACID (M-H)-	ME208108	0.95	1.05
METHIONINE (M-H)-	ME208078	0.98	1.04
L-ARGININE (M-H)-	ME208061	NA	1.00
KYNURENIC ACID (M-H)-	ME208059	0.89	1.13
HYODEOXYCHOLIC ACID (M-H)-	ME208051	0.82	1.18
INOSINE (M+CL)-	ME208053	1.01	0.99
PROPENOIC ACID (M-H)-	ME208114	0.55	1.26
URACIL 5-CARBOXYLIC ACID (M-H)-	ME208154	NA	1.00
LYSOPHOSPHATIDIC ACID (M-H)-	ME208071	1.00	NA
PHTHALIC ACID (M-H)-	ME208111	0.33	1.45
PHYTANIC ACID (M-H)-	ME208112	0.99	1.01
LIGNOCERIC ACID (M-H)-	ME208068	1.08	0.93
HOMOVANILLIC ACID (M-H)-	ME208050	1.00	NA
O-SUCCINYL-L-HOMOSERINE (M-H)-	ME208099	1.01	0.98
OROTIC ACID (M-H)-	ME208102	0.95	1.05
URIDINE (M+CL)-	ME208156	0.93	1.07
INOSINE 5^-PHOSPHATE (M-H)-	ME208056	1.20	0.80

Factors:

F1	Treatment:Control
F2	Treatment:DEHP

Data matrix