Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST003224)

Reversed phase NEGATIVE ION MODE (Analysis AN005286)

Metabolite	Structure	F1	F2	F3	F4
dihydroorotate	ME840120	3.54	0.18	0.50	0.28
N-carbamoyl-L-aspartate	ME840183	3.24	0.24	0.57	0.39
uridine	ME840244	0.62	2.58	0.47	0.86
Carbamoyl phosphate	ME840087	0.47	1.60	1.14	0.80
Cystine	ME840101	0.43	1.07	1.54	0.42
maleic acid	ME840169	1.59	0.79	0.58	1.45
N-acetyl-glutamine	ME840176	1.69	0.79	0.55	1.41
xanthosine	ME840249	1.56	0.53	0.80	1.11
arginine	ME840082	1.47	0.86	0.79	1.09
deoxyinosine	ME840111	1.49	0.87	0.66	1.10
DL-Pipecolic Acid	ME840123	1.94	0.42	0.50	1.65
lysine	ME840167	1.69	0.43	0.71	1.45
His-Val-Asp-Asp (HVDD)	ME840152	1.19	0.41	0.79	1.61
Pro-Val-Asn-Phe (PVNF)	ME840205	1.29	0.42	0.79	1.51
Ser-Asp-Leu (SDL)	ME840220	1.26	0.47	0.76	1.51
Pro-Asp (PD)	ME840195	1.73	0.41	0.50	1.86
Pro-Glu-Glu (PEE)	ME840197	1.53	0.54	0.58	1.78
Pro-Glu (PE)	ME840196	1.63	0.47	0.62	1.67
Asp-Leu-His (DLH)	ME840122	1.46	0.62	0.52	1.88
Acetyllysine	ME840073	1.40	0.73	0.50	1.87
N-acetyl-L-ornithine	ME840178	1.37	0.72	0.54	1.84
Asp-Leu-Ser (DLS)	ME840124	1.33	0.62	0.62	1.69
Val-Asp (VD)	ME840247	1.31	0.52	0.71	1.75
Octulose Bisphosphate	ME840188	0.97	0.72	1.28	1.03
Sedoheptulose bisphosphate	ME840221	0.84	0.83	1.38	0.94
Benzoyl-CoA	ME840086	1.30	0.72	0.98	1.01
anthranilate	ME840081	1.08	0.68	1.04	1.16
propionyl-CoA	ME840204	1.02	0.58	1.20	1.20
Ribose-5-S-homocysteine	ME840214	0.64	0.94	0.77	1.72
CTP	ME840099	0.58	1.26	0.98	1.18
succinyl-CoA/methylmalonyl-CoA	ME840228	0.60	1.33	0.87	1.20
CDP	ME840090	0.65	1.29	1.10	0.95
acetyl-CoA	ME840071	0.73	1.32	0.90	1.05
CMP	ME840096	0.75	1.27	0.96	1.03
cCMP	ME840089	0.85	1.16	1.13	0.87
Hydroxyphenylacetic acid	ME840153	0.92	1.17	1.03	0.85
NADH	ME840180	0.94	1.45	0.77	0.91
2-oxo-4-methylthiobutanoate	ME840063	0.90	1.34	0.91	0.86
dCDP	ME840105	0.87	1.31	0.94	0.88
CDP-choline	ME840091	0.72	1.12	0.81	1.35
N-acetyl-glucosamine-1/6-phosphate	ME840174	1.04	0.86	0.93	1.17
thiamine	ME840231	1.06	0.86	0.88	1.20
xanthine	ME840248	1.04	0.96	0.88	1.11
riboflavin	ME840211	1.14	0.86	0.93	1.07
Guanidoacetic acid	ME840145	1.07	0.90	0.94	1.10
S-adenosyl-L-methionine	ME840218	1.08	0.90	0.95	1.07
ADP-D-glucose	ME840076	0.98	1.00	0.93	1.09
UDP-D-glucuronate	ME840241	0.95	1.02	0.94	1.09
Acetyl-glycine	ME840072	1.03	1.08	0.90	1.09
thiamine-phosphate	ME840233	1.00	1.07	0.88	1.05
folate	ME840132	0.98	1.05	0.91	1.06
mefloquine	ME840170	0.99	1.06	0.90	1.05
indole	ME840158	0.99	0.92	1.07	1.02
aspartate (standard)	ME840057	1.01	1.00	1.01	0.97
chlorpropamide	ME840058	1.03	1.01	0.98	1.01
dCTP	ME840107	0.75	1.11	1.02	1.11
Indoleacrylic acid	ME840159	0.86	1.11	1.00	1.04
FMN	ME840131	0.83	1.00	0.90	1.28
fructose-1-6-bisphosphate	ME840133	0.96	1.00	0.89	1.21
taurine	ME840229	0.89	1.08	0.93	1.17
UDP-N-acetyl-glucosamine	ME840242	0.92	1.26	0.74	1.17
dCMP	ME840106	0.95	1.35	0.73	1.06
NADPH	ME840182	0.92	1.27	0.82	1.06
S-methyl-5^-thioadenosine	ME840225	1.13	1.13	0.84	1.07
homocysteine	ME840151	1.15	1.10	0.73	1.03
FAD	ME840130	1.11	1.14	0.73	1.11
Xanthurenic acid	ME840251	1.08	1.10	0.76	1.13
allantoin	ME840079	1.03	1.19	0.77	1.25
Pyroglutamic acid	ME840207	1.04	1.13	0.84	1.15
pyruvate	ME840209	1.04	1.14	0.81	1.21
NADP+	ME840181	1.05	1.10	0.74	1.20
xanthosine-5-phosphate	ME840250	1.01	1.07	0.74	1.26
4-phosphopantothenate	ME840067	0.94	1.09	0.76	1.29
trehalose-6-Phosphate	ME840236	1.02	1.09	0.80	1.31
guanine	ME840146	1.56	1.29	0.54	1.07
guanosine	ME840147	1.58	1.42	0.51	0.98
N-Acetyl-L-alanine	ME840177	1.53	1.02	0.56	1.33
Pyrophosphate	ME840208	1.54	1.19	0.53	1.21
ribulose-5-phosphate	ME840216	1.51	1.11	0.56	1.26
GMP	ME840143	1.63	1.07	0.49	1.33
N-acetyl-glucosamine	ME840173	1.64	1.14	0.50	1.22
succinate/Methylmalonic acid	ME840227	1.13	1.48	0.66	1.06
quinolinate	ME840210	1.10	1.33	0.71	1.14
Ser-Ile-Asp (SID)	ME840224	1.08	1.37	0.59	1.10
1_3-Bisphosphoglyceric acid	ME840060	1.15	1.39	0.60	1.25
2-Hydroxy-2-methylbutanedioic acid	ME840062	1.12	1.43	0.64	1.18
Citraconic acid	ME840094	1.11	1.44	0.61	1.22
CDP-ethanolamine	ME840092	1.01	1.41	0.65	1.27
dTMP	ME840127	0.99	1.43	0.65	1.16
creatine	ME840098	0.90	1.35	0.64	1.35
thymidine	ME840235	0.84	1.42	0.70	1.33
2-dehydro-D-gluconate	ME840061	0.94	1.49	0.53	1.51
IDP	ME840156	0.98	1.47	0.52	1.35
shikimate-3-phosphate	ME840223	1.04	0.99	0.67	1.62
aconitate	ME840074	1.08	1.10	0.62	1.59
aspartate	ME840085	1.00	1.16	0.63	1.58
citrate/isocitrate	ME840095	0.95	1.23	0.66	1.50
orotate	ME840190	0.94	1.31	0.57	1.61
dAMP	ME840103	1.32	1.23	0.64	0.94
D-sedoheptulose-1/7-phosphate	ME840125	1.23	1.28	0.67	1.15
deoxyuridine	ME840113	1.37	1.21	0.66	1.10
GDP	ME840135	1.31	1.21	0.64	1.08
p-aminobenzoate	ME840193	1.32	1.22	0.66	1.14
adenine	ME840075	1.19	1.14	0.73	1.21
dGTP/ATP	ME840119	1.22	1.08	0.65	1.28
pantothenate	ME840194	1.23	1.06	0.73	1.26
GTP	ME840144	1.25	1.09	0.68	1.20
Kynurenine	ME840162	1.32	1.05	0.71	1.22
dATP	ME840104	1.31	0.99	0.64	1.18
Tetrahydrobiopterin	ME840230	1.31	0.95	0.68	1.27
carnitine	ME840088	1.28	1.01	0.71	1.29
threonine/homoserine	ME840234	1.29	1.03	0.68	1.32
pyridoxine	ME840206	1.35	1.21	0.61	1.21
dGDP/ADP	ME840115	1.37	1.25	0.55	1.28
dGMP/AMP	ME840118	1.41	1.27	0.56	1.20
cytidine	ME840102	1.36	1.08	0.64	1.28
leucine	ME840166	1.37	1.11	0.61	1.31
methionine	ME840171	1.38	1.09	0.61	1.30
valine	ME840246	1.38	1.05	0.60	1.37
glutamate	ME840138	1.38	1.11	0.58	1.35
phenylalanine	ME840199	1.38	1.09	0.59	1.34
4-Pyridoxic acid	ME840068	1.22	1.22	0.63	1.31
acetyl-aspartate	ME840070	1.19	1.22	0.64	1.31
asparagine	ME840084	1.23	1.16	0.62	1.36
dUMP	ME840129	1.22	1.16	0.64	1.33
S-adenosyl-L-homocysteine	ME840217	1.28	1.26	0.56	1.34
6-phospho-D-gluconate	ME840069	1.25	1.20	0.60	1.35
D-gluconate	ME840116	1.28	1.19	0.59	1.34
hydroxyproline/Aminolevulinate	ME840154	1.27	1.20	0.61	1.32
glucose-1-phosphate	ME840137	1.27	1.19	0.58	1.38
inosine	ME840160	1.27	1.18	0.59	1.37
glutathione disulfide	ME840141	1.30	1.17	0.59	1.36
N-acetyl-glutamate	ME840175	1.30	1.20	0.57	1.37
4-aminobutyrate	ME840066	1.31	1.13	0.62	1.32
proline	ME840203	1.32	1.11	0.63	1.31
ribose	ME840212	1.33	1.15	0.64	1.25
isoleucine	ME840161	1.35	1.16	0.61	1.26
ornithine	ME840189	1.35	1.14	0.62	1.28
hypoxanthine	ME840155	1.32	1.20	0.59	1.30
tyrosine	ME840238	1.33	1.17	0.60	1.29
glutamine	ME840139	1.31	1.15	0.62	1.30
Phenol Red	ME840059	1.31	1.16	0.61	1.30
glycerate	ME840142	1.25	1.19	0.67	1.22
Hexose	ME840148	1.28	1.19	0.63	1.27
tryptophan	ME840237	1.25	1.16	0.65	1.28
glutathione	ME840140	1.27	1.22	0.50	1.52
IMP	ME840157	1.27	1.38	0.53	1.28
nicotinate	ME840185	1.26	1.34	0.59	1.23
D-glucosamine-1/6-phosphate	ME840117	1.22	1.29	0.50	1.31
deoxyadenosine	ME840109	1.17	1.33	0.57	1.37
nicotinamide mononucleotide	ME840184	1.16	1.33	0.57	1.36
3-phospho-serine	ME840065	1.16	1.27	0.57	1.29
UDP-D-glucose	ME840240	1.17	1.30	0.62	1.29
Nicotinic acid mononucleotide	ME840186	1.11	1.30	0.56	1.47
hexose-phosphate	ME840149	1.07	1.24	0.63	1.42
oxaloacetate	ME840192	1.05	1.20	0.65	1.45
Aminoadipic acid	ME840080	1.04	1.26	0.67	1.35
D-erythrose-4-phosphate	ME840114	1.04	1.30	0.64	1.38
cGMP	ME840093	1.10	1.24	0.68	1.31
glucono-lactone	ME840136	1.10	1.28	0.62	1.38
Octulose 8/1P	ME840187	1.13	1.26	0.63	1.35
myo-inositol	ME840172	1.07	1.17	0.71	1.35
NAD+	ME840179	1.11	1.13	0.67	1.42
p-hydroxybenzoate	ME840201	1.16	1.19	0.62	1.40
L-arginino-succinate	ME840164	1.14	0.80	0.79	1.33
prephenate	ME840202	1.18	0.78	0.79	1.46
deoxyguanosine (1)	ME840110	1.17	0.94	0.71	1.26
phosphoenolpyruvate	ME840200	1.14	0.94	0.74	1.35
lactate	ME840163	1.13	0.93	0.84	1.25
serine	ME840222	1.15	1.05	0.80	1.21
orotidine-5^-phosphate	ME840191	0.95	0.93	0.77	1.36
Pro-Glu-Glu-Lys (PEEK)	ME840198	1.03	0.88	0.75	1.41
coenzyme A	ME840097	1.01	0.98	0.67	1.46
dihydroxy-acetone-phosphate	ME840121	1.09	1.06	0.74	1.38
Thiamine pyrophosphate	ME840232	1.04	1.04	0.69	1.35
fumarate	ME840134	1.32	0.78	0.59	1.73
malate	ME840168	1.38	0.87	0.58	1.60
Ser-Asp (SD)	ME840219	1.40	0.79	0.60	1.60
cystathionine	ME840100	1.30	0.86	0.67	1.38
3-phosphoglycerate	ME840064	1.21	0.97	0.68	1.45
alanine/sarcosine	ME840078	1.22	1.01	0.67	1.43
sn-glycerol-3-phosphate	ME840226	1.26	0.97	0.63	1.51
Ribose-5-phosphate	ME840213	1.28	0.94	0.66	1.47
histidine	ME840150	1.29	0.98	0.64	1.45
ribose-phosphate	ME840215	1.28	0.98	0.63	1.48
a-ketoglutarate	ME840077	1.26	0.95	0.59	1.61
Leu-Asp (LD)	ME840165	1.30	1.02	0.58	1.54
Decanoyl-CoA	ME840108	0.91	1.74	0.59	1.04
deoxyribose-phosphate	ME840112	0.73	2.02	0.60	1.05
Ascorbic acid	ME840083	0.73	1.60	0.74	1.18
UDP	ME840239	0.60	1.69	0.65	1.41
dTTP	ME840128	0.66	1.39	0.64	1.55
UMP	ME840243	0.77	1.49	0.57	1.59
dTDP	ME840126	0.61	1.44	0.75	1.28
UTP	ME840245	0.54	1.38	0.76	1.48

Factors:

F1	Treatment:ATQ
F2	Treatment:AZD0156
F3	Treatment:N/A
F4	Treatment:ND

Data matrix