Clustering data with hclust algorithm for Longitudinal Metabolomics of the Human Microbiome in Inflammatory Bowel Disease (Study ST000923)
HILIC NEGATIVE ION MODE (Analysis AN001514)Metabolite | Structure | F1 | F2 | F3 | F4 | F5 | F6 |
---|---|---|---|---|---|---|---|
dihydroorotate | ME233136 | 0.51 | 0.57 | 1.00 | 0.45 | 0.23 | 13.36 |
cinnamoylglycine | ME233129 | 0.00 | 0.00 | 8.24 | 0.00 | 0.43 | 0.00 |
gabapentin | ME233146 | 3.26 | 0.00 | 0.00 | 0.00 | 0.00 | 3.89 |
indoxyl sulfate | ME233161 | 0.97 | 0.03 | 3.13 | NA | 0.24 | 0.03 |
phenylacetylglutamine | ME233180 | 1.67 | 0.51 | 2.84 | 0.12 | 0.36 | 1.01 |
cystine | ME233133 | 1.32 | 2.13 | 0.02 | 0.03 | 0.20 | 0.05 |
glycocholate | ME233151 | 0.58 | 2.74 | 0.23 | 0.21 | 0.27 | 0.24 |
tartarate | ME233196 | 2.53 | 1.22 | 0.11 | 0.08 | 0.37 | 0.26 |
dCMP | ME233134 | 2.38 | 0.37 | 1.14 | 0.66 | 0.34 | 0.81 |
dTMP | ME233138 | 2.80 | 0.32 | 1.92 | 0.32 | 0.27 | 0.67 |
hydrochlorothiazide | ME233156 | NA | 0.00 | NA | NA | 1.76 | 0.44 |
eicosapentaenoate | ME233139 | 0.34 | 1.41 | 0.10 | 0.46 | 2.27 | 0.60 |
homovanillate | ME233155 | 0.49 | 0.69 | 0.47 | 0.55 | 2.89 | 0.88 |
citrate | ME233130 | 0.83 | 1.02 | 0.73 | 0.31 | 1.02 | 2.51 |
1-3-7-trimethylurate | ME233096 | 0.95 | 0.28 | 0.68 | 2.01 | 1.77 | 0.71 |
caprylate | ME233127 | 0.72 | 0.94 | 1.14 | 2.11 | 0.82 | 0.42 |
sorbitol | ME233193 | 0.69 | 1.03 | 0.50 | 2.39 | 0.83 | 0.56 |
4-nitrophenol | ME233108 | 0.87 | 0.91 | 0.77 | 0.18 | 1.88 | 1.27 |
saccharin | ME233188 | 1.06 | 1.03 | 0.18 | 0.35 | 1.85 | 1.02 |
2-hydroxy-3-methylbutyrate | ME233099 | 0.76 | 0.93 | 0.60 | 0.61 | 2.05 | 0.87 |
2-hydroxy-3-methylpentanoate | ME233100 | 0.78 | 1.20 | 0.54 | 0.53 | 1.74 | 0.77 |
lactate | ME233163 | 0.74 | 1.47 | 0.35 | 0.48 | 1.50 | 0.83 |
salicylate | ME233189 | 0.56 | 1.07 | 0.39 | 0.63 | 1.74 | 1.68 |
taurine | ME233197 | 1.10 | 1.13 | 0.56 | 0.26 | 1.26 | 1.49 |
epiandrosterone | ME233140 | 1.27 | 0.44 | 0.82 | 0.50 | 1.42 | 0.72 |
acesulfame | ME233112 | 1.62 | 0.80 | 0.22 | 0.57 | 1.12 | 1.40 |
gemfibrozil | ME233147 | 1.77 | 0.81 | 0.56 | 0.64 | 1.02 | 0.96 |
UMP | ME233203 | 1.55 | 1.26 | 0.43 | 0.86 | 0.37 | 0.49 |
2-aminobutyrate | ME233098 | 1.07 | 1.64 | 0.47 | 0.51 | 0.63 | 0.97 |
docosapentaenoate | ME233137 | 1.22 | 1.32 | 0.50 | 0.43 | 1.07 | 0.83 |
imidazolelactate | ME233159 | 0.50 | 1.52 | 1.02 | 0.42 | 1.24 | 0.99 |
3-hydroxymethylglutarate | ME233102 | 0.57 | 1.93 | 0.60 | 0.62 | 0.76 | 0.72 |
corticosterone | ME233132 | 0.32 | 2.17 | 0.68 | 0.84 | 0.62 | 0.21 |
orotate | ME233175 | 0.85 | 1.55 | 0.98 | 1.07 | 0.54 | 0.50 |
cholate | ME233128 | 0.89 | 1.82 | 0.96 | 0.39 | 0.51 | 0.65 |
linoleoyl ethanolamide | ME233166 | 0.73 | 1.74 | 1.30 | 0.35 | 0.56 | 0.77 |
diaminopimelate | ME233135 | 0.62 | 0.65 | 0.74 | 1.76 | 0.89 | 2.13 |
riboflavin | ME233186 | 0.84 | 0.71 | 0.81 | 1.43 | 1.09 | 1.63 |
pseudouridine | ME233184 | 1.06 | 0.85 | 1.83 | 0.83 | 0.85 | 0.84 |
4-methylcatechol | ME233107 | 1.25 | 0.86 | 1.75 | 1.32 | 0.50 | 0.43 |
4-hydroxybenzeneacetonitrile | ME233106 | 1.12 | 0.98 | 1.37 | 1.41 | 0.48 | 0.65 |
urate | ME233205 | 0.94 | 1.13 | 1.55 | 1.18 | 0.54 | 0.69 |
4-hydroxybenzaldehyde | ME233105 | 1.22 | 0.65 | 0.83 | 0.97 | 1.31 | 1.18 |
2-aminoadipate | ME233097 | 1.08 | 0.80 | 1.19 | 0.99 | 1.11 | 1.02 |
3-methylglutaconate | ME233104 | 1.03 | 0.87 | 0.98 | 0.91 | 1.22 | 1.06 |
malonate | ME233169 | 0.87 | 1.09 | 0.77 | 0.73 | 1.43 | 0.91 |
uridine | ME233206 | 0.81 | 1.05 | 0.62 | 0.76 | 1.41 | 1.32 |
asparagine | ME233122 | 0.65 | 1.46 | 0.92 | 0.95 | 0.90 | 0.76 |
2-hydroxyglutarate | ME233101 | 0.87 | 1.28 | 1.11 | 0.78 | 0.91 | 0.83 |
acetylalanine | ME233113 | 1.01 | 1.32 | 0.93 | 0.88 | 0.74 | 0.78 |
lactose | ME233164 | 1.02 | 1.34 | 1.00 | 0.67 | 0.74 | 0.90 |
heptadecanoate | ME233154 | 0.96 | 0.94 | 1.30 | 1.08 | 1.06 | 0.70 |
5-dodecenoate | ME233111 | 1.15 | 1.05 | 1.15 | 0.76 | 0.83 | 0.94 |
alpha-ketoglutarate | ME233118 | 1.12 | 0.99 | 1.04 | 1.01 | 0.82 | 1.02 |
phenylacetate | ME233179 | 1.12 | 1.05 | 1.01 | 1.05 | 0.79 | 0.88 |
fucose | ME233144 | 1.25 | 1.01 | 0.98 | 1.13 | 0.75 | 0.71 |
lithocholate | ME233167 | 1.13 | 1.09 | 1.07 | 1.08 | 0.77 | 0.68 |
citrulline | ME233131 | 1.00 | 0.95 | 0.95 | 1.34 | 0.73 | 1.18 |
hypoxanthine | ME233158 | 0.93 | 1.01 | 0.86 | 1.39 | 0.77 | 1.14 |
methionine | ME233170 | 0.87 | 1.06 | 1.03 | 1.20 | 0.77 | 1.21 |
propionate | ME233183 | 0.89 | 1.10 | 0.95 | 1.21 | 0.82 | 1.07 |
arginine | ME233120 | 0.75 | 0.99 | 1.06 | 1.21 | 0.88 | 1.42 |
aspartate | ME233123 | 0.79 | 0.86 | 1.15 | 1.52 | 0.79 | 1.33 |
alpha-ketoisovalerate | ME233119 | 0.88 | 1.12 | 1.09 | 0.97 | 0.92 | 1.01 |
fructose/glucose/galactose | ME233143 | 0.95 | 1.23 | 0.89 | 0.89 | 0.78 | 1.12 |
fumarate/maleate | ME233145 | 1.06 | 1.04 | 0.83 | 0.89 | 0.99 | 1.11 |
N6-acetyllysine | ME233171 | 0.88 | 1.05 | 0.90 | 0.98 | 1.00 | 1.25 |
xylose | ME233210 | 0.95 | 1.09 | 0.88 | 1.05 | 0.87 | 1.14 |
succinate | ME233195 | 0.84 | 1.22 | 0.68 | 0.91 | 1.02 | 1.21 |
pyrocatechol | ME233185 | 0.89 | 1.32 | 0.80 | 0.98 | 0.83 | 0.88 |
ribothymidine | ME233187 | 0.90 | 1.27 | 0.68 | 1.01 | 0.90 | 0.99 |
xanthurenate | ME233209 | 0.94 | 1.17 | 0.73 | 1.01 | 0.93 | 0.99 |
gentisate | ME233148 | 0.95 | 0.96 | 0.69 | 1.01 | 1.26 | 1.10 |
4-pyridoxate | ME233109 | 0.76 | 1.08 | 0.85 | 1.18 | 1.20 | 0.89 |
guanosine | ME233153 | 0.92 | 0.98 | 0.88 | 1.34 | 0.94 | 1.01 |
butyrate | ME233125 | 0.88 | 0.98 | 0.86 | 1.18 | 1.12 | 1.01 |
inosine | ME233162 | 0.97 | 1.04 | 0.86 | 1.15 | 1.01 | 0.90 |
proline | ME233182 | 0.71 | 1.37 | 0.75 | 1.06 | 0.67 | 1.37 |
tryptophan | ME233201 | 0.88 | 1.34 | 0.67 | 0.75 | 0.66 | 1.60 |
erythronate | ME233141 | 0.92 | 1.18 | 0.82 | 0.68 | 0.99 | 1.34 |
oxalate | ME233176 | 1.05 | 1.03 | 0.75 | 0.63 | 1.11 | 1.39 |
malate | ME233168 | 1.22 | 1.06 | 0.69 | 0.81 | 0.88 | 1.18 |
alanine | ME233116 | 0.87 | 1.09 | 0.84 | 1.12 | 0.77 | 1.44 |
alpha-glycerophosphate | ME233117 | 1.10 | 1.00 | 0.76 | 1.03 | 0.85 | 1.25 |
leucine | ME233165 | 1.02 | 1.04 | 0.83 | 0.99 | 0.82 | 1.38 |
threonine | ME233199 | 1.02 | 1.05 | 0.77 | 0.94 | 0.87 | 1.40 |
phenylalanine | ME233181 | 1.12 | 1.16 | 0.60 | 0.73 | 0.79 | 1.50 |
tyrosine | ME233202 | 1.16 | 0.92 | 0.74 | 0.89 | 0.85 | 1.57 |
caproate | ME233126 | 1.09 | 0.60 | 1.24 | 1.73 | 1.11 | 0.47 |
shikimate | ME233192 | 1.35 | 0.73 | 0.78 | 1.90 | 0.86 | 0.28 |
glutamate | ME233149 | 0.83 | 1.07 | 0.97 | 1.58 | 0.68 | 0.96 |
serine | ME233191 | 0.99 | 0.89 | 1.13 | 1.54 | 0.62 | 1.10 |
xanthine | ME233208 | 1.06 | 1.03 | 0.96 | 1.41 | 0.70 | 0.78 |
valerate/isovalerate | ME233207 | 1.02 | 0.98 | 1.21 | 1.22 | 0.73 | 0.94 |
pantothenate | ME233177 | 0.94 | 0.94 | 1.33 | 1.54 | 0.64 | 0.80 |
indole-3-propionate | ME233160 | 0.97 | 0.96 | 1.14 | 1.45 | 0.76 | 0.83 |
glycerate | ME233150 | 0.83 | 1.01 | 1.22 | 1.47 | 0.74 | 0.90 |
N-acetylglutamate | ME233172 | 0.86 | 1.06 | 1.26 | 1.43 | 0.64 | 0.88 |
nicotinate | ME233173 | 0.94 | 0.97 | 1.13 | 1.87 | 0.53 | 0.70 |
adipate | ME233115 | 1.04 | 0.90 | 1.10 | 1.53 | 0.86 | 0.62 |
ethyl glucuronide | ME233142 | 1.07 | 0.86 | 1.30 | 1.63 | 0.66 | 0.61 |
pentose monophosphate | ME233178 | 1.14 | 0.86 | 0.49 | 1.24 | 1.11 | 1.01 |
adenine | ME233114 | 0.90 | 0.83 | 0.79 | 1.52 | 1.02 | 1.17 |
uracil | ME233204 | 0.85 | 0.92 | 0.75 | 1.53 | 0.98 | 1.15 |
ascorbate | ME233121 | 1.03 | 0.74 | 0.91 | 1.52 | 1.06 | 0.95 |
3-methyladipate/pimelate | ME233103 | 1.03 | 0.67 | 1.05 | 1.58 | 1.12 | 0.81 |
suberate | ME233194 | 0.98 | 0.78 | 1.07 | 1.47 | 1.04 | 0.87 |
norepinephrine | ME233174 | 1.19 | 0.80 | 0.91 | 1.42 | 0.85 | 0.92 |
sebacate | ME233190 | 1.08 | 0.80 | 0.92 | 1.67 | 0.81 | 0.93 |
5-acetylamino-6-amino-3-methyluracil | ME233110 | 1.30 | 0.58 | 0.75 | 1.57 | 1.19 | 0.73 |
tetrahydro-1-methyl-beta-carboline-3-carboxylate | ME233198 | 0.97 | 0.76 | 0.95 | 1.54 | 1.28 | 0.61 |
hydrocinnamate | ME233157 | 1.40 | 0.51 | 0.87 | 2.05 | 0.64 | 0.86 |
guanine | ME233152 | 0.75 | 0.77 | 0.91 | 2.28 | 0.71 | 1.05 |
azelate | ME233124 | 0.98 | 0.70 | 0.88 | 1.90 | 0.84 | 1.07 |
thymine | ME233200 | 0.84 | 0.89 | 0.87 | 1.98 | 0.79 | 0.84 |
Factors:
F1 | Diagnosis:CD | sex:Female |
F2 | Diagnosis:CD | sex:Male |
F3 | Diagnosis:nonIBD | sex:Female |
F4 | Diagnosis:nonIBD | sex:Male |
F5 | Diagnosis:UC | sex:Female |
F6 | Diagnosis:UC | sex:Male |