Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for A library of human gut bacterial isolates paired with longitudinal multiomics data enables mechanistic microbiome research (Study ST001192)

HILIC POSITIVE ION MODE (Analysis AN001984)

Metabolite	Structure	F1	F2	F3
quercetin	ME282972	1.98	0.52	0.16
trimethylamine-N-oxide	ME282873	2.25	0.31	0.36
5-methylcytidine	ME282933	0.42	1.48	0.81
cotinine	ME282881	0.41	1.69	0.28
acetylcholine	ME282869	0.61	1.11	1.50
3-methylhistidine	ME282931	0.68	1.12	1.34
2^-O-methyladenosine/3^-O-methyladenosine	ME282929	0.59	1.15	1.34
cerulenin	ME282953	0.59	1.18	1.28
C10:2 carnitine	ME282902	0.89	0.89	1.97
histamine	ME282860	0.81	0.87	1.81
phenylalanine	ME282840	0.88	0.85	1.72
taurine	ME282847	1.26	0.62	1.57
creatine	ME282871	1.16	0.75	1.40
phosphocholine	ME282867	1.02	0.87	1.35
methylthioadenosine	ME282918	1.05	0.87	1.28
N-acetyltryptophan	ME282942	1.09	0.84	1.29
3-dehydroxycarnitine	ME282930	1.04	0.79	1.56
methionine sulfoxide	ME282887	1.04	0.79	1.54
tyrosine	ME282841	0.96	0.88	1.44
1-methylnicotinamide	ME282886	0.82	0.95	1.53
DMGV	ME282936	0.88	0.88	1.52
N1-acetylspermine	ME282945	0.90	0.88	1.60
SDMA	ME282854	1.32	0.78	0.97
atenolol	ME282913	1.37	0.70	1.06
GABA/alpha-aminoisobutyric acid	ME282851	1.38	0.72	1.03
anserine	ME282890	1.28	0.79	1.08
phytosphingosine	ME282966	1.24	0.82	1.03
C20 carnitine	ME282909	1.21	0.83	1.06
citrulline	ME282846	1.20	0.83	1.07
C5:1 carnitine	ME282898	1.30	0.73	1.17
C3 carnitine	ME282893	1.25	0.74	1.24
adenosine	ME282875	1.23	0.77	1.20
C5-DC carnitine	ME282899	1.22	0.78	1.19
choline	ME282866	1.17	0.88	0.99
N1-acetylspermidine	ME282944	1.17	0.89	0.98
N-acetylglutamine	ME282938	1.11	0.93	0.99
5-hydroxytryptophan	ME282848	1.12	0.91	0.99
aspartate	ME282830	1.12	0.92	1.00
methionine	ME282829	1.11	0.91	1.04
C20:4 carnitine	ME282910	1.13	0.91	1.02
creatinine	ME282872	1.13	0.90	1.03
homoserine	ME282915	1.10	0.89	1.10
threonine	ME282828	1.10	0.90	1.09
proline	ME282843	1.07	0.90	1.15
lysine	ME282836	1.06	0.92	1.10
m-coumaric acid	ME282963	1.06	0.91	1.12
alanine	ME282826	1.05	0.94	1.08
ADMA	ME282853	1.03	0.96	1.07
C16:0 SM	ME282923	1.02	0.96	1.08
alanyalanine	ME282949	1.00	0.97	1.09
1-methyladenosine	ME282920	0.98	0.99	1.09
N-acetylornithine	ME282940	0.98	0.98	1.10
glutamate	ME282831	1.00	0.96	1.12
isoleucine	ME282839	1.02	0.95	1.11
serine	ME282827	1.02	0.96	1.10
pterin	ME282969	1.08	0.93	1.05
s-adenosylmethionine	ME282919	1.06	0.94	1.05
niacinamide	ME282864	1.07	0.95	1.00
glycine	ME282825	1.06	0.95	1.03
nicotinate	ME282964	1.06	0.95	1.02
cyclohexylamine	ME282956	1.02	0.99	0.97
pyridoxamine	ME282971	1.03	0.97	1.05
phenylalanine-d8	ME282824	1.03	0.97	1.02
sphinganine	ME282973	1.02	0.97	1.03
valine-d8	ME282823	1.01	0.99	1.00
tryptophan	ME282842	1.00	0.99	1.04
1,2,4-trimethylbenzene	ME282928	1.01	0.99	1.02
xanthine	ME282975	1.00	0.99	1.02
metanephrine	ME282916	1.02	0.92	1.18
N-acetyphenylalanine	ME282943	1.04	0.91	1.19
C26 carnitine	ME282911	1.00	0.94	1.19
hypoxanthine	ME282926	1.00	0.94	1.19
asparagine	ME282832	0.99	0.96	1.16
pyroglutamic acid	ME282885	0.97	0.96	1.17
glutamine	ME282833	0.94	0.97	1.21
histidine	ME282834	0.90	1.01	1.17
C18:0 LPC	ME282922	0.94	0.94	1.32
leucine	ME282838	0.96	0.94	1.28
ornithine	ME282845	0.84	1.00	1.34
carnosine	ME282859	0.88	1.01	1.32
thiamine	ME282863	0.87	1.01	1.28
serotonin	ME282850	1.12	0.94	0.92
NMMA	ME282855	1.20	0.89	0.90
imidazoleacetic acid	ME282962	1.17	0.92	0.87
putrescine	ME282970	1.18	0.92	0.83
cytidine	ME282957	1.05	1.03	0.81
C18:1 carnitine	ME282906	1.02	1.04	0.84
tyramine	ME282917	1.03	1.04	0.82
1-methylguanosine/2-O-methylguanosine	ME282927	1.00	1.03	0.91
3-hydroxyanthranilic acid	ME282861	1.03	1.01	0.93
kynurenic acid	ME282857	1.07	1.00	0.86
N-acetylleucine	ME282939	1.04	1.01	0.89
thymidine	ME282877	1.05	1.00	0.88
pipecolic acid	ME282883	1.07	0.98	0.92
adrenochrome	ME282948	1.10	0.97	0.87
hydroxyproline	ME282844	1.08	0.98	0.89
5-HIAA	ME282849	1.03	1.08	0.69
C18 carnitine	ME282905	1.05	1.05	0.73
N-a-acetyarginine	ME282937	1.05	1.05	0.75
N6-acetyllysine	ME282946	1.10	0.98	0.82
guanine	ME282959	1.08	1.02	0.78
anthranilic acid	ME282856	1.11	1.01	0.73
cortisol	ME282955	1.12	1.00	0.75
C6 carnitine	ME282900	0.85	1.08	1.08
mevalonic acid	ME282882	0.83	1.12	1.02
spermidine	ME282870	0.95	1.02	1.06
6,8-dihydroxypurine	ME282935	0.98	1.02	0.98
betaine	ME282865	0.98	1.03	0.95
glycerol	ME282874	0.95	1.03	1.00
DOPA	ME282914	0.94	1.06	0.97
xanthosine	ME282878	0.95	1.05	0.97
arginine	ME282835	0.86	1.14	0.87
guanosine	ME282960	0.88	1.11	0.93
pseudouridine	ME282968	0.94	1.07	0.90
2-deoxycytidine	ME282880	0.95	1.09	0.83
cytosine	ME282876	0.95	1.10	0.81
C16 carnitine	ME282904	1.08	1.13	0.43
nor-psi-tropine	ME282965	1.07	1.13	0.46
C4 carnitine	ME282895	1.06	1.18	0.33
cadaverine	ME282951	1.11	1.16	0.29
2-deoxyadenosine	ME282879	0.75	1.33	0.58
ectoine	ME282925	0.97	1.16	0.58
1-methylhistamine	ME282858	0.76	1.22	0.85
dimethylglycine	ME282852	0.82	1.24	0.71
C18:2 carnitine	ME282908	0.82	1.24	0.75
C14 carnitine	ME282903	0.81	1.21	0.76
N-carbamoyl-beta-alanine	ME282862	0.83	1.21	0.74
bilirubin	ME282921	0.88	1.18	0.71
proline betaine	ME282967	0.90	1.18	0.68
cellobiose	ME282952	0.94	1.14	0.73
sarcosine	ME282888	0.90	1.16	0.74
C9 carnitine	ME282901	1.61	0.60	0.98
guanidoacetic acid	ME282958	1.61	0.71	0.80
acetaminophen	ME282947	1.87	0.49	0.66
N-acetylputrescine	ME282941	1.69	0.64	0.60
C2 carnitine	ME282892	1.46	0.96	0.12
valine	ME282837	1.32	0.91	0.58
3-methoxytyramine	ME282912	1.44	0.83	0.55
C4-OH carnitine	ME282896	1.37	0.92	0.46
C18:1-OH carnitine	ME282907	1.35	0.85	0.50
histidinol	ME282961	1.40	0.88	0.50
carnitine	ME282891	1.36	0.98	0.29
C3-DC-CH3 carnitine	ME282894	1.21	1.04	0.43
beta-guanidinopropionic acid	ME282950	1.26	0.96	0.44
cortisone	ME282924	1.28	0.99	0.45
cortexolone/2,1-deoxycortisol	ME282954	1.22	0.98	0.58
5-methylcytosine	ME282934	1.24	0.94	0.65
beta-alanine	ME282889	1.19	0.96	0.71
4-guanidinobutanoic acid	ME282932	1.38	0.80	0.78
urocanic acid	ME282974	1.41	0.77	0.80
C5 carnitine	ME282897	1.31	0.87	0.72
5-aminolevulinic acid	ME282884	1.35	0.84	0.68
alpha-glycerophosphocholine	ME282868	1.38	0.82	0.71

Factors:

F1	Diet:-
F2	Diet:Omnivore
F3	Diet:Vegetarian

Data matrix