Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST002978)

HILIC NEGATIVE ION MODE (Analysis AN004894)

Metabolite	Structure	F1	F2	F3	F4	F5	F6
ribose	ME774966	0.01	0.47	0.01	1.31	7.34	0.76
pyruvate	ME774961	4.88	0.48	4.52	0.03	0.04	0.01
2-phosphoglycerate	ME774891	0.04	0.05	0.05	7.64	0.64	1.23
glucose 6-phosphate	ME774927	0.72	0.19	0.67	7.82	0.26	0.11
UDP-N-acetylglucosamine/galactosamine	ME774976	0.06	0.06	0.07	8.82	0.27	0.24
lactate	ME774940	0.84	0.03	0.67	5.88	1.78	0.01
gluconate	ME774925	0.02	0.00	0.02	4.09	3.72	0.01
ribulose/xylulose	ME774967	0.11	0.09	0.14	5.42	2.85	0.43
tartarate	ME774973	0.00	0.00	0.00	4.63	2.67	0.00
N-acetyl-glucosamine 1-phosphate	ME774951	0.35	3.28	0.43	2.60	0.67	0.70
adipate	ME774905	0.38	4.47	0.34	0.51	0.39	0.25
suberate (C8-DC)	ME774970	0.90	2.33	0.96	0.60	0.32	0.66
inositol 1-phosphate (I1P)	ME774981	1.09	0.59	1.00	4.31	0.43	0.45
glycerophosphoglycerol	ME774932	0.57	0.04	0.63	3.37	1.51	2.56
isocitric lactone	ME774939	0.16	0.12	0.13	4.58	1.88	1.61
2-hydroxyadipate	ME774885	0.27	0.41	0.33	2.89	0.60	1.22
succinate	ME774971	0.35	0.60	0.31	3.57	0.94	1.79
2-keto-3-deoxy-gluconate	ME774889	0.29	0.50	0.27	3.35	1.13	0.77
2-hydroxyhippurate (salicylurate)	ME774887	0.22	0.32	0.21	3.95	0.99	1.05
orotidine	ME774958	0.50	0.30	0.49	3.60	1.28	1.20
citraconate/glutaconate	ME774916	0.65	0.20	0.66	2.52	3.84	0.27
3-methyl-2-oxobutyrate	ME774901	1.90	0.27	2.25	1.90	1.88	0.18
phenylpyruvate	ME774960	1.88	0.30	1.37	2.14	2.47	0.51
fumarate	ME774923	0.95	0.33	1.72	0.09	2.90	2.44
alpha-ketoglutarate	ME774910	1.44	0.28	1.29	1.03	1.74	2.36
UMP	ME774977	0.81	0.12	0.70	1.41	2.44	2.83
fructose	ME774922	0.07	0.09	0.06	0.04	2.28	1.01
sucrose	ME774972	0.01	0.01	0.01	0.12	2.02	0.04
glucose	ME774926	0.61	0.01	0.68	0.54	2.68	0.01
galactonate	ME774924	0.22	0.21	0.22	1.11	2.86	0.62
uracil	ME774978	0.25	0.56	0.39	1.38	3.43	0.67
quinate	ME774962	1.34	0.29	1.18	1.53	1.26	0.54
glycerophosphoinositol*	ME774933	1.17	0.21	1.09	2.17	0.49	1.05
tartronate (hydroxymalonate)	ME774974	0.96	0.18	1.05	1.71	0.83	1.05
N-formylanthranilic acid	ME774956	0.64	0.62	0.67	0.47	0.55	0.47
sedoheptulose	ME774969	1.21	1.56	1.40	1.18	0.87	1.17
mannitol/sorbitol	ME774943	0.71	1.50	0.72	1.37	1.14	0.63
allantoic acid	ME774906	0.96	0.96	0.96	0.96	0.96	1.13
dehydroascorbate	ME774980	0.93	0.93	0.93	1.61	0.93	0.93
3-hydroxybutyrate (BHBA)	ME774899	1.37	0.48	1.12	0.35	0.46	1.66
cholesterol sulfate	ME774915	1.70	0.80	0.94	0.80	0.80	0.80
beta-hydroxyisovalerate	ME774914	1.13	0.48	1.47	0.82	0.92	1.00
salicylate	ME774968	1.26	0.32	1.13	0.93	0.96	1.06
mannonate*	ME774944	0.19	0.23	0.22	2.50	1.59	1.74
N-acetyl-2-aminoadipate	ME774950	0.41	0.11	0.36	2.07	1.31	2.42
2-aminoadipate	ME774883	0.43	0.46	0.41	2.32	0.98	1.44
3-hydroxy-3-methylglutarate	ME774897	0.41	0.57	0.40	1.94	1.07	1.60
glutarate (C5-DC)	ME774929	0.42	0.65	0.39	1.99	1.21	1.33
ribitol	ME774964	0.17	0.73	0.23	1.74	1.07	1.69
2-isopropylmalate	ME774888	0.29	0.31	0.26	1.77	1.11	1.63
hydantoin-5-propionate	ME774937	0.34	0.24	0.32	1.73	1.20	1.93
3-sulfo-alanine	ME774903	0.72	0.25	0.77	1.27	1.47	1.28
arabitol/xylitol	ME774911	0.55	0.45	0.50	1.53	1.27	1.41
N-acetylalanine	ME774952	0.53	0.56	0.52	1.13	1.08	1.58
threonate	ME774975	0.53	0.06	0.52	1.68	1.01	0.80
3-methylglutarate/2-methylglutarate	ME774902	0.88	0.31	0.74	1.92	1.50	1.25
methylsuccinate	ME774947	0.62	0.35	0.72	1.93	1.39	0.93
glycerate	ME774930	0.53	0.22	0.51	1.45	1.96	0.16
gulonate*	ME774934	0.68	0.20	0.75	2.04	1.97	0.62
3-hydroxyadipate	ME774898	0.14	0.29	0.15	2.30	1.60	0.88
erythronate*	ME774920	0.20	0.12	0.21	1.44	1.75	0.75
ribonate	ME774965	0.29	0.16	0.30	1.74	2.09	1.10
glucuronate	ME774928	0.60	0.26	0.49	2.93	1.84	0.75
malonate	ME774942	0.12	0.14	0.12	3.16	2.74	0.60
mannose	ME774945	0.29	0.69	0.29	2.58	2.47	0.60
arabonate/xylonate	ME774912	0.17	0.05	0.19	2.06	2.63	0.17
pentose acid*	ME774959	0.13	0.10	0.13	2.23	2.48	0.60
2-hydroxy-4-(methylthio)butanoic acid	ME774884	2.80	0.07	2.12	3.12	0.01	1.77
dihydroorotate	ME774918	1.03	0.35	2.46	0.48	0.38	1.68
3-hydroxyisobutyrate	ME774900	3.08	0.24	2.01	0.20	0.31	0.82
2-O-methylascorbic acid	ME774890	2.85	0.04	3.19	0.03	0.03	0.58
lyxonate	ME774941	2.42	0.06	2.50	0.32	0.43	0.29
cysteine s-sulfate	ME774917	2.24	0.05	2.46	0.07	0.06	0.65
myo-inositol	ME774949	2.54	0.10	2.56	0.23	0.13	0.69
azelate (C9-DC)	ME774913	2.02	1.30	1.84	0.55	0.23	0.52
glycerol 2-phosphate	ME774931	1.96	0.64	2.06	1.05	0.17	0.59
xanthine	ME774979	1.95	0.85	1.94	0.91	0.63	0.01
alpha-hydroxyisovalerate	ME774909	2.16	0.28	1.90	1.04	0.82	0.84
N-acetylglutamate	ME774954	2.38	0.25	2.48	1.26	0.62	0.82
N-acetylaspartate (NAA)	ME774953	1.71	0.10	1.78	0.81	0.61	1.35
allantoin	ME774907	1.91	0.32	2.14	0.62	0.63	0.89
methylmalonate (MMA)	ME774946	1.64	0.54	2.16	0.56	0.66	0.95
ethylmalonate	ME774921	2.15	0.31	1.94	0.30	0.19	1.10
quinolinate	ME774963	2.01	0.47	2.13	0.35	0.14	0.88
isocitrate	ME774938	0.04	0.12	0.03	3.26	1.00	4.03
mevalonate	ME774948	0.01	0.04	0.02	4.95	0.15	4.58
allo-threonine	ME774908	0.44	0.22	0.34	0.16	0.09	7.50
N-carbamoylaspartate	ME774955	0.59	0.18	1.49	0.21	0.05	5.45
homocarnosine	ME774935	0.07	0.07	0.07	0.07	0.07	3.67
erythritol	ME774919	0.27	0.73	0.25	0.25	0.55	4.57
orotate	ME774957	0.65	0.38	0.72	0.03	0.03	4.12
(3^-5^)-cytidylylguanosine	ME774882	1.04	0.93	0.83	0.41	0.41	2.88
2-hydroxybutyrate/2-hydroxyisobutyrate	ME774886	0.67	0.15	0.62	1.27	0.70	3.88
homocitrulline	ME774936	0.17	0.28	0.17	1.10	0.88	3.08

Factors:

F1	Sample type:G. vaginalis biofilm #1
F2	Sample type:G. vaginalis biofilm #2
F3	Sample type:G. vaginalis suspension
F4	Sample type:L. crispatus biofilm
F5	Sample type:L. crispatus suspension
F6	Sample type:L. iners suspension

Data matrix