Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for Comparative metabolomics analysis of the key metabolic nodes in propionic acid synthesis in Propionibacterium acidipropionici (Study ST000116)

LC/MS positive/negative ion mode (Analysis AN000197)

Metabolite	Structure	F1	F2	F3
Adenine	ME681069	2.90	0.03	0.06
Arginine	ME681078	2.47	0.51	0.02
Fructose 1,6-bisphosphate	ME681113	0.08	2.54	0.37
GABA	ME681116	0.32	2.40	0.28
Glycerone	ME681127	0.38	2.36	0.26
5-Hydroxy-tryptophan	ME681059	0.19	1.08	1.73
7,8-Diaminononanoate	ME681063	0.04	1.16	1.79
Citrulline	ME681094	1.47	1.29	0.24
Aspartate	ME681080	1.25	1.64	0.11
Proline	ME681162	1.24	1.47	0.28
Thymidine	ME681178	1.02	1.56	0.41
4-Hydroxybenzoate	ME681056	0.93	1.63	0.44
Tryptophan	ME681180	0.97	1.62	0.41
dUMP	ME681109	1.06	1.38	0.56
Fructose 6-phosphate	ME681114	1.28	1.24	0.47
Serine	ME681172	1.19	1.31	0.50
Raffinose	ME681165	0.47	1.53	1.00
Glycolate	ME681130	0.56	1.24	1.20
XMP	ME681185	0.68	1.29	1.04
2,6-Diaminoheptanedioate	ME681046	0.73	1.58	0.68
3-Phospho-glyceroyl phosphate	ME681054	0.73	1.47	0.80
Ribose 5-phosphate	ME681168	0.84	1.40	0.76
1-Aminocyclopropane-1-carboxylate	ME681045	0.51	1.79	0.70
Glutamate	ME681124	0.71	1.76	0.53
Lipoate	ME681144	0.88	0.10	2.01
Phenylacetaldehyde	ME681158	0.81	0.09	2.10
S-Adenosyl-methionine	ME681170	0.90	1.17	0.93
Glyoxylate	ME681131	1.04	1.06	0.90
Choline	ME681091	1.00	1.04	0.96
Glucose	ME681122	0.98	1.03	1.00
Acetyl phosphate	ME681065	0.82	1.10	1.08
Malate	ME681145	0.88	1.02	1.11
Threonine	ME681177	1.03	0.92	1.05
Cytidine	ME681099	0.99	0.98	1.03
Phenylalanine	ME681159	0.98	0.95	1.07
UDP	ME681182	0.94	0.97	1.09
Homocysteine	ME681136	0.98	0.89	1.14
Orotate	ME681156	0.93	0.91	1.16
2-Aminomuconate	ME681047	0.89	0.92	1.19
Nicotinamide ribonucleotide	ME681153	0.91	0.93	1.17
2-Aminophenol	ME681048	1.20	0.84	0.96
CDP-glucose	ME681089	1.28	0.81	0.90
Erythrose 4-Phosphate	ME681110	1.05	1.12	0.82
Glycerone phosphate	ME681128	1.11	1.11	0.79
sn-Glycerol 3-phosphate	ME681173	1.10	1.14	0.76
Chitobiose	ME681090	1.16	0.97	0.87
O-Phospho serine	ME681155	1.23	1.06	0.71
FAD	ME681111	1.17	1.05	0.79
Leucine	ME681143	1.18	1.03	0.80
Mevalonate	ME681149	1.09	0.13	1.78
Thiamin diphosphate	ME681176	0.93	0.48	1.58
Deoxyadenosine	ME681104	0.91	0.39	1.70
Anthranilate	ME681077	0.95	0.40	1.65
Phenylpyruvate	ME681160	1.00	0.38	1.62
O-Phospho-homoserine	ME681154	1.05	0.28	1.67
2-Oxoadipate	ME681050	1.16	0.27	1.58
Succinate	ME681174	1.17	0.32	1.50
Guanosine	ME681134	0.88	0.58	1.55
Thymine	ME681179	0.89	0.59	1.52
Mannitol	ME681146	0.88	0.64	1.48
GMP	ME681132	0.91	0.59	1.49
6-Phospho-gluconate	ME681062	0.91	0.63	1.45
S-Adenosyl-homocysteine	ME681169	0.91	0.61	1.47
Nicotinamide	ME681152	0.96	0.66	1.38
Glucosamine 6-phosphate	ME681121	0.98	0.63	1.39
IMP	ME681139	1.00	0.60	1.40
Adenylylselenate	ME681071	1.01	0.50	1.48
Arogenate	ME681079	1.04	0.51	1.45
N-Acetyl-glutamate	ME681151	0.96	0.56	1.48
Acetate	ME681064	0.98	0.58	1.44
Ribose	ME681167	1.01	0.57	1.42
Cytosine	ME681100	0.87	0.68	1.45
Catechol	ME681087	0.84	0.71	1.45
Inosine	ME681140	0.85	0.71	1.44
5^-Methylthioadenosine	ME681060	0.85	0.75	1.40
Fumarate	ME681115	0.80	0.79	1.41
2-Deoxy-ribose	ME681049	0.90	0.82	1.29
Pyruvate	ME681164	0.89	0.85	1.25
Acrylonitrile	ME681068	0.96	0.77	1.27
CTP	ME681096	0.90	0.77	1.33
Geranylgeranyl diphosphate	ME681117	0.93	0.75	1.32
Methionine	ME681148	0.93	0.73	1.34
Aminoacetone	ME681075	1.11	0.42	1.47
Acrylate	ME681067	1.06	0.55	1.40
Pantetheine 4^-phosphate	ME681157	1.09	0.51	1.40
Histidine	ME681135	1.11	0.47	1.42
Isopentenyl diphosphate	ME681141	1.12	0.49	1.39
Benzoate	ME681083	1.11	0.62	1.27
Tyrosine	ME681181	1.11	0.63	1.27
Glucarate	ME681118	1.09	0.60	1.32
4-Aminobutyraldehyde	ME681055	1.06	0.62	1.33
N-Acetyl-glucosamine	ME681150	1.05	0.60	1.35
Carnitine	ME681086	1.25	0.55	1.20
dCDP	ME681103	1.27	0.53	1.20
2-Oxoglutarate	ME681052	1.16	0.59	1.25
FMN	ME681112	1.18	0.55	1.27
Glucosamine	ME681120	1.17	0.55	1.28
Deoxycytidine	ME681105	1.23	0.52	1.26
Mannitol 1-Phosphate	ME681147	1.20	0.49	1.31
Adenosine	ME681070	1.06	0.81	1.13
ADP	ME681072	1.08	0.73	1.19
5,6-Dihydrouracil	ME681057	1.09	0.75	1.16
Lactate	ME681142	1.10	0.74	1.17
dATP	ME681102	1.03	0.75	1.22
Glucuronate	ME681123	1.02	0.72	1.26
Citrate	ME681093	0.97	0.83	1.20
Xylitol	ME681186	1.02	0.79	1.19
5-Phosphoribosylamine	ME681061	1.22	0.74	1.05
Propionyl-CoA	ME681163	1.24	0.74	1.02
Dihydroorotate	ME681107	1.17	0.65	1.19
Gluconate	ME681119	1.20	0.65	1.15
Guanine	ME681133	1.17	0.68	1.15
IDP	ME681138	1.28	0.64	1.08
beta-Alanyl arginine	ME681084	1.21	0.68	1.11
dADP	ME681101	1.23	0.64	1.13
Phosphoenolpyruvate	ME681161	1.24	0.66	1.10
Acrylamide	ME681066	0.56	0.96	1.48
2-Oxobutanoate	ME681051	0.69	1.00	1.31
Cystathionine	ME681097	0.71	0.95	1.35
Sedoheptulose 1,7-bisphosphate	ME681171	0.73	0.39	1.89
UMP	ME681183	0.71	0.54	1.76
Alanine	ME681074	0.52	0.69	1.79
Biotin	ME681085	0.62	0.74	1.65
Agmatine	ME681073	0.73	0.67	1.60
Valine	ME681184	0.70	0.66	1.64
dIDP	ME681106	2.01	0.36	0.63
CMP	ME681095	1.99	0.21	0.80
Glycerol	ME681126	2.10	0.12	0.78
3-Phospho-glycerate	ME681053	1.73	0.48	0.79
dTMP	ME681108	1.72	0.67	0.62
Cysteine	ME681098	1.45	0.60	0.95
Glycine	ME681129	1.35	0.64	1.01
Riboflavin	ME681166	1.33	0.64	1.03
Barbiturate	ME681082	1.38	0.63	1.00
CDP	ME681088	1.41	0.62	0.98
Chorismate	ME681092	1.53	0.53	0.93
5-Aminoimidazole	ME681058	1.47	0.47	1.07
Glutathione	ME681125	1.45	0.48	1.07
AMP	ME681076	1.51	0.27	1.22
ATP	ME681081	1.66	0.35	1.00
Hypoxanthine	ME681137	1.63	0.29	1.08
Tetrahydrofolate	ME681175	1.65	0.25	1.10

Factors:

F1	Growth phase:Late exponential phase
F2	Growth phase:Middle exponential phase
F3	Growth phase:Stationary phase

Data matrix