Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST002805)

HILIC UNSPECIFIED ION MODE (Analysis AN004561)

Metabolite	Structure	F1	F2	F3	F4
Carbamoyl phosphate	ME726049	2.06	0.51	0.85	0.87
itaconic acid	ME726163	1.65	0.37	1.07	0.91
dehydroascorbic acid	ME726089	0.99	2.75	0.25	0.88
Kynurenic acid	ME726164	1.17	0.01	0.42	1.98
acetylphosphate	ME726024	1.60	NA	0.27	1.12
L-arginino-succinate	ME726166	0.79	0.84	0.99	1.19
lactate	ME726167	1.23	0.73	0.71	1.31
hydroxyproline	ME726153	1.42	0.44	0.68	1.39
aconitate	ME726025	0.76	0.76	1.09	1.15
6-phospho-D-gluconate	ME726014	1.08	1.23	1.39	0.31
xanthosine	ME726280	1.26	1.13	0.80	1.01
thymine	ME726262	NA	2.92	0.43	0.61
trans, trans-farnesyl diphosphate	ME726263	1.11	NA	0.89	NA
adenine	ME726026	0.95	0.86	1.02	1.07
homocysteine	ME726148	0.87	NA	0.95	1.11
histidine	ME726144	1.17	0.70	1.03	1.04
spermidine	ME726251	0.88	1.20	0.78	1.18
glutamine	ME726127	1.02	0.81	1.08	1.01
1-Methyladenosine	ME725989	1.22	0.74	0.74	1.27
betaine	ME726046	0.80	1.23	1.14	0.85
2,3-Diphosphoglyceric acid	ME726002	NA	0.97	1.02	NA
2-oxobutanoate	ME726000	0.72	1.47	1.11	0.80
cysteine	ME726071	1.30	0.89	0.81	1.09
homoserine	ME726149	1.64	0.57	0.93	0.96
dTDP-nega	ME726106	NA	0.55	NA	1.23
Thiamine pyrophosphate	ME726258	NA	0.66	NA	1.17
Nicotinamide Riboside	ME726204	0.97	1.85	0.70	0.89
deoxyguanosine	ME726092	1.54	1.50	0.71	0.77
Kynurenine	ME726165	0.67	0.55	0.99	1.40
Indole-3-carboxylic acid	ME726159	0.75	0.45	1.46	0.93
methionine	ME726174	0.92	0.95	1.13	0.93
1,3-diphopshateglycerate	ME725990	1.41	0.95	1.26	0.57
N-acetyl-glutamate	ME726184	1.16	0.08	1.23	1.15
allantoin	ME726034	1.16	0.68	0.55	1.53
Acetyllysine	ME726023	0.45	0.96	0.89	1.40
Xanthurenic acid	ME726282	1.33	1.59	0.80	0.74
alanine	ME726032	1.10	0.60	1.01	1.13
Adenylosuccinate	ME726029	0.79	1.14	1.18	0.86
creatine	ME726065	1.58	0.54	0.87	1.07
Hydroxyphenylacetic acid	ME726151	1.35	0.07	0.94	1.35
Acetylcarnitine DL	ME726022	0.95	1.05	1.39	0.61
D-glyceraldehdye-3-phosphate	ME726082	0.64	1.12	1.12	1.06
4-phosphopantothenate	ME726009	NA	0.50	1.12	1.25
hydroxyphenylpyruvate	ME726152	1.03	0.92	1.01	1.01
4-Pyridoxic acid	ME726010	0.80	1.35	1.06	0.86
S-adenosyl-L-homocysteine-nega	ME726238	2.29	NA	0.79	0.57
xanthine	ME726279	1.71	0.43	0.90	1.03
acetoacetate	ME726019	0.69	1.07	1.01	1.11
succinate	ME726253	1.33	0.77	1.27	0.68
glutathione disulfide-nega	ME726129	1.25	0.75	0.89	1.11
SBP	ME726246	1.37	0.47	1.20	0.88
uracil	ME726273	1.06	0.94	1.02	0.98
threonine	ME726260	1.09	0.64	1.08	1.05
Urea	ME726274	1.12	1.36	0.92	0.84
S-ribosyl-L-homocysteine-posi	ME726244	1.04	0.94	0.91	1.10
cysteine sulfinate	ME726072	1.02	0.73	0.88	1.25
a-ketoglutarate	ME726017	1.18	0.70	1.03	1.03
purine	ME726227	1.15	0.55	1.11	1.04
5-methoxytryptophan	ME726011	0.43	2.00	0.57	1.00
shikimate	ME726248	2.01	0.32	0.73	1.11
p-aminobenzoate	ME726214	1.23	0.45	1.53	0.63
Taurodeoxycholic acid	ME726256	1.07	0.71	0.97	1.14
isocitrate	ME726162	0.91	1.39	0.77	1.08
folate	ME726116	0.67	0.83	0.82	1.43
sarcosine	ME726245	1.15	0.68	0.96	1.13
S-methyl-5-thioadenosine	ME726242	0.77	NA	1.12	1.12
3-hydroxybuterate	ME726003	0.52	1.31	0.89	1.19
dTMP-nega	ME726108	0.26	4.05	0.43	0.41
Cystine	ME726073	0.90	0.59	1.04	1.22
tyrosine	ME726267	0.91	0.76	1.17	0.99
methylnicotinamide	ME726178	1.19	NA	1.10	0.80
proline	ME726225	1.24	0.77	0.99	1.01
fructose-1,6-bisphosphate	ME726117	0.68	0.68	1.11	1.21
glucose-1-phosphate	ME726124	0.97	1.05	1.06	0.93
glutathione	ME726128	0.79	1.60	0.98	0.83
7-methylguanosine	ME726015	0.72	1.14	1.14	0.93
homocysteic acid	ME726147	1.60	0.43	0.68	1.31
D-sedoheptulose-1-7-phosphate	ME726083	0.84	0.33	1.86	0.56
pyridoxine	ME726230	1.30	0.57	1.08	0.98
hexose-phosphate	ME726143	0.94	0.83	1.09	1.02
deoxyadenosine	ME726090	NA	1.14	0.48	1.90
guanosine	ME726141	1.25	0.69	1.08	0.99
3-phosphoglycerate	ME726006	0.68	1.05	1.09	1.04
glucose-6-phosphate	ME726125	0.98	1.53	0.60	0.95
pantothenate	ME726216	0.75	1.27	0.97	1.02
pyruvate	ME726233	0.83	0.45	1.35	1.01
Phenyllactic acid	ME726218	0.87	0.84	1.14	1.01
N-carbamoyl-L-aspartate-nega	ME726192	NA	NA	1.06	0.94
betaine aldehyde	ME726047	0.61	1.03	1.25	0.93
Hydroxyisocaproic acid	ME726150	1.14	0.90	1.00	0.98
fructose-6-phosphate	ME726118	NA	1.02	0.75	1.49
cystathionine	ME726070	0.83	NA	1.33	0.51
indole	ME726158	0.86	0.32	1.35	1.06
inosine	ME726161	1.08	0.77	0.90	1.18
myo-inositol	ME726179	1.15	0.86	0.95	1.05
cyclic-AMP	ME726069	0.86	0.44	1.47	0.87
biotin	ME726048	0.79	2.26	0.63	0.84
3-methylphenylacetic acid	ME726004	0.54	0.28	1.06	1.53
2-ketohaxanoic acid	ME725998	0.93	NA	1.13	0.90
glyoxylate	ME726136	1.51	0.55	0.82	1.15
glucono-?-lactone	ME726122	1.27	0.64	1.04	NA
2-oxo-4-methylthiobutanoate	ME725999	0.89	1.74	0.54	1.15
cholesteryl sulfate	ME726056	1.12	0.46	1.11	1.10
D-gluconate	ME726078	0.95	0.94	1.12	0.94
cytosine	ME726075	1.22	0.66	0.99	1.07
phenylalanine	ME726217	1.08	0.40	1.25	1.01
serine	ME726247	1.01	0.63	1.06	1.12
tryptophan	ME726266	0.97	0.42	1.24	1.06
valine	ME726278	0.77	0.84	1.09	1.10
S-adenosyl-L-homoCysteine-posi	ME726239	NA	NA	0.86	1.07
citrate	ME726060	1.12	0.24	1.42	0.90
glutathione disulfide-posi	ME726130	1.29	1.22	0.84	0.82
dephospho-CoA-nega	ME726096	1.84	NA	0.43	0.86
carnitine	ME726050	0.96	1.00	0.84	1.18
Ng,NG-dimethyl-L-arginine	ME726202	1.48	0.43	0.88	1.16
cholesterol	ME726055	1.10	1.60	0.82	0.83
Creatinine	ME726066	1.20	1.19	0.97	0.66
Cholic acid	ME726057	1.45	0.42	1.18	0.89
choline	ME726058	1.27	0.00	1.20	1.17
coenzyme A-posi	ME726064	0.60	1.39	NA	1.01
citrulline	ME726062	1.08	0.01	1.20	1.25
CDP-nega	ME726053	2.09	0.66	0.88	0.48
Citraconic acid/itaconic acid	ME726059	1.55	0.17	1.26	0.87
D-glucosamine-6-phosphate	ME726081	NA	NA	1.09	0.91
glycerate	ME726132	1.03	0.74	1.01	1.10
2-Hydroxy-2-methylbutanedioic acid	ME725994	0.97	0.75	1.13	1.00
dihydroxy-acetone-phosphate	ME726102	1.96	NA	0.57	0.91
fumarate	ME726119	1.21	0.91	1.10	0.84
glutamate	ME726126	0.93	0.75	1.13	1.03
nicotinamide	ME726203	1.16	0.72	1.00	1.06
UTP-nega	ME726277	1.24	NA	0.88	NA
2-hydroxygluterate	ME725995	1.10	1.05	1.03	0.89
S-adenosyl-L-methioninamine	ME726240	1.12	1.22	NA	0.67
citrate-isocitrate	ME726061	1.48	0.27	1.50	0.63
taurine	ME726255	0.91	1.11	1.03	0.96
guanine	ME726140	0.70	0.75	1.12	1.16
Indoleacrylic acid	ME726160	0.96	0.59	1.00	1.23
N-acetyl-glucosamine	ME726182	NA	0.92	1.08	NA
hypoxanthine	ME726154	0.83	2.09	0.69	0.71
malate	ME726171	0.68	0.73	0.99	1.31
cytidine	ME726074	1.17	0.35	1.81	0.43
N-acetyl spermidine	ME726180	NA	NA	0.56	1.22
leucine-isoleucine	ME726168	1.05	0.71	1.09	1.03
uridine	ME726276	1.99	0.70	0.76	0.89
2-dehydro-D-gluconate	ME725992	0.88	1.28	1.14	0.78
1-Methyl-Histidine	ME725988	1.41	0.60	0.91	1.09
2-Aminooctanoic acid	ME725991	1.42	0.93	0.74	1.09
DL-Pipecolic acid	ME726105	0.96	0.63	1.17	1.04
N-acetyl spermine	ME726181	0.71	1.56	0.58	1.28
lysine	ME726170	0.99	0.59	1.21	1.00
Glycerophosphocholine	ME726133	1.32	0.80	0.95	0.99
sn-glycerol-3-phosphate	ME726250	1.04	1.49	0.79	0.94
spermine	ME726252	NA	2.63	0.40	0.56
D-glucono-?-lactone-6-phosphate	ME726079	0.72	0.63	1.00	1.33
N6-Acetyl-L-lysine	ME726193	1.42	0.49	1.19	0.71
N-Acetylputrescine	ME726190	NA	0.95	0.98	1.04
ornithine	ME726210	1.07	0.28	1.21	1.12
2-Isopropylmalic acid	ME725996	0.49	3.50	0.48	0.52
aspartate	ME726043	0.81	1.18	1.06	0.95
N-acetyl-L-ornithine	ME726189	0.87	0.73	1.28	0.92
2,3-dihydroxybenzoic acid	ME726001	1.18	0.28	1.33	0.94
UMP	ME726272	NA	1.11	0.89	NA
Flavone	ME726114	1.13	1.14	1.03	0.84
OBP	ME726209	0.89	1.16	1.07	0.90
dGDP-nega	ME726098	0.71	NA	1.24	1.06
Ascorbic acid	ME726041	0.90	0.60	1.18	1.07
Pyrophosphate	ME726232	0.35	3.42	0.71	0.41
glycolate	ME726135	0.73	0.50	1.65	0.74
ribose-phosphate	ME726237	1.29	0.28	0.94	1.27
N-Acetyl-L-alanine	ME726186	1.85	0.27	1.07	0.87
2-keto-isovalerate	ME725997	0.84	0.95	1.20	0.91
Phosphorylcholine	ME726223	1.18	1.36	0.94	0.80
Pyroglutamic acid	ME726231	1.04	0.85	1.08	0.97
orotidine-5-phosphate	ME726212	NA	1.15	1.13	0.60
3-phospho-serine	ME726005	NA	0.89	1.11	0.89
3-S-methylthiopropionate	ME726007	NA	1.50	0.50	NA
oxaloacetate	ME726213	1.77	0.59	1.35	0.47
phenylpyruvate	ME726220	1.15	0.85	0.87	1.13
deoxyinosine	ME726093	0.53	2.00	0.80	0.67
Methylcysteine	ME726176	0.95	0.86	1.02	1.07
nicotinate	ME726206	1.25	0.58	1.03	1.06
dihydroorotate	ME726101	0.61	1.77	1.09	0.72
O8P-O1P	ME726208	0.66	0.66	1.43	0.91
N-acetyl-glucosamine-1-phosphate	ME726183	1.76	0.89	0.40	1.28
glutathione-nega	ME726131	0.85	0.84	1.14	1.01
adenosine	ME726027	0.69	0.54	1.86	0.53
orotate	ME726211	0.64	0.24	0.72	1.84
phosphocreatine	ME726221	1.01	1.34	0.85	0.97
Methylmalonic acid	ME726177	0.88	0.90	1.46	0.65
deoxyribose-phosphate	ME726094	NA	NA	0.67	1.33
Guanidoacetic acid	ME726139	1.03	0.59	1.17	1.02
Methionine sulfoxide	ME726175	1.07	0.84	1.01	1.03
dCTP-nega	ME726088	1.00	1.00	NA	NA
glucosamine	ME726123	1.11	0.80	1.02	1.03
putrescine	ME726228	0.95	1.28	1.60	0.59
N-acetyl-glutamine	ME726185	0.41	0.11	1.25	1.50
p-hydroxybenzoate	ME726215	0.64	0.48	1.22	1.21
anthranilate	ME726038	0.49	0.96	1.12	1.16
arginosuccinic acid	ME726040	1.29	0.99	0.99	0.87
arginine	ME726039	1.02	0.84	0.98	1.10
Atrolactic acid	ME726045	1.05	1.36	0.59	1.21
Uric acid	ME726275	0.42	2.10	0.42	1.03
2-deoxyglucose-6-phosphate	ME725993	0.89	0.54	1.29	1.00
asparagine	ME726042	1.13	0.72	1.06	1.01
Aminoadipic acid	ME726035	0.92	0.43	1.23	1.10
allantoate	ME726033	NA	NA	1.51	0.75
Maleic acid	ME726172	0.67	0.99	1.15	1.02
D-glucarate	ME726077	NA	0.74	0.75	1.51
dGTP	ME726100	0.75	NA	1.12	NA
D-erythrose-4-phosphate	ME726076	1.38	0.46	1.09	0.99
dGMP	ME726099	NA	1.20	NA	0.80
Imidazoleacetic acid	ME726156	0.86	0.87	1.05	1.08
N-acetyl-L-aspartic acid	ME726187	1.33	NA	NA	0.67
Phenylpropiolic acid	ME726219	0.06	5.75	0.05	0.05
dimethylglycine	ME726104	1.26	0.00	1.22	1.15
Nicotinamide ribotide	ME726205	1.21	1.37	0.91	0.60
riboflavin	ME726236	0.98	0.70	1.25	0.91
phosphoenolpyruvate	ME726222	1.24	0.76	NA	NA
Pyridoxamine	ME726229	NA	0.63	1.18	NA
quinolinate	ME726234	1.99	1.84	0.88	0.21

Factors:

F1	Sex:F \| Treatment:Control
F2	Sex:F \| Treatment:IL-1B
F3	Sex:M \| Treatment:Control
F4	Sex:M \| Treatment:IL-1B

Data matrix