Clustering data with hclust algorithm for (Study ST001325)
(Analysis AN002206)| Metabolite | Structure | F1 | F2 | F3 | F4 | F5 | F6 |
|---|---|---|---|---|---|---|---|
| bis(2-ethylhexyl)phthalate | ME309107 | 0.15 | 17.01 | 0.14 | 2.14 | 0.09 | 0.11 |
| biliverdin | ME309106 | 0.50 | 1.71 | 0.51 | 3.11 | 0.89 | 0.99 |
| diethylphthalate@8.51 | ME309143 | 0.82 | 1.23 | 0.78 | 3.55 | 1.18 | 0.59 |
| sphinganine (C16) | ME309245 | 0.79 | 1.29 | 0.79 | 4.68 | 0.81 | 0.78 |
| theophylline | ME309251 | 0.87 | 2.61 | 0.87 | 4.53 | 0.72 | 0.68 |
| aminobutyrate | ME309100 | 0.85 | 3.81 | 0.86 | 3.91 | 0.67 | 0.66 |
| caffeine | ME309108 | 0.77 | 3.31 | 0.77 | 6.12 | 0.58 | 0.57 |
| Ile-Val | ME309164 | 0.85 | 3.38 | 0.83 | 5.42 | 0.63 | 0.57 |
| cholesterol | ME309128 | 0.87 | 3.60 | 0.86 | 0.91 | 0.87 | 0.88 |
| Leu-Ile | ME309172 | 0.70 | 4.13 | 0.68 | 1.61 | 0.87 | 0.80 |
| MG(16:0_0:0_0:0) | ME309176 | 1.88 | 2.04 | 1.87 | 1.42 | 0.75 | 0.62 |
| sn-glycero-3-phosphocholine | ME309244 | 1.65 | 2.16 | 1.67 | 1.31 | 0.71 | 0.76 |
| SM(d36:2) | ME309238 | 1.11 | 2.21 | 1.08 | 1.20 | 0.89 | 0.88 |
| Ala-Leu | ME309097 | 0.83 | 2.55 | 0.84 | 1.50 | 1.00 | 0.83 |
| kynurenine | ME309169 | 0.85 | 2.50 | 0.83 | 1.39 | 0.92 | 0.91 |
| MG(18:1_0:0_0:0) | ME309177 | 0.85 | 2.47 | 0.87 | 1.27 | 0.99 | 0.87 |
| DG(32:1) | ME309137 | 0.93 | 2.99 | 0.90 | 2.39 | 0.78 | 0.82 |
| sphingosine (C18) | ME309247 | 0.79 | 3.23 | 0.77 | 2.13 | 0.79 | 0.88 |
| 1-methylurate | ME309086 | 0.80 | 2.16 | 0.80 | 2.78 | 0.80 | 0.91 |
| sphinganine (C18) | ME309246 | 0.70 | 2.69 | 0.69 | 2.70 | 0.79 | 0.91 |
| cortisol | ME309130 | 0.61 | 1.96 | 0.61 | 1.97 | 0.94 | 1.00 |
| DG(34:2) | ME309139 | 0.97 | 2.04 | 0.92 | 1.88 | 0.89 | 0.89 |
| DG(34:1) | ME309138 | 0.89 | 2.04 | 0.85 | 2.32 | 0.87 | 0.89 |
| gamma-glutamylleucine | ME309152 | 0.86 | 1.79 | 0.85 | 2.32 | 0.84 | 0.95 |
| pyroglutamate | ME309227 | 0.94 | 1.78 | 0.93 | 2.14 | 0.83 | 0.95 |
| PE(18:0)>PE(18:0_0:0) | ME309217 | 1.31 | 2.31 | 1.29 | 1.82 | 0.76 | 0.80 |
| DG(32:0) | ME309136 | 0.86 | 2.44 | 0.84 | 2.22 | 0.83 | 0.90 |
| N-undecanoylglycine | ME309183 | 1.13 | 2.59 | 1.16 | 2.31 | 0.77 | 0.78 |
| diethylphthalate@8.27 | ME309142 | 0.02 | 0.41 | 0.02 | 0.36 | 1.34 | 1.32 |
| azelaate | ME309103 | 1.50 | 0.05 | 1.48 | 0.06 | 0.96 | 1.03 |
| 5^-methylthioadenosine | ME309094 | 0.78 | 0.42 | 0.78 | 0.44 | 1.15 | 1.12 |
| glucose | ME309156 | 1.06 | 0.69 | 1.06 | 0.15 | 1.03 | 1.09 |
| Phe-Phe | ME309219 | 1.15 | 0.01 | 1.14 | 0.01 | 1.09 | 1.09 |
| Phe-Trp | ME309220 | 1.10 | 0.05 | 1.09 | 0.16 | 1.09 | 1.09 |
| pyridoxamine | ME309226 | 1.01 | 0.32 | 1.01 | 0.40 | 1.07 | 1.09 |
| 2-deoxyglucose | ME309088 | 0.97 | 0.28 | 0.97 | 0.26 | 1.04 | 1.15 |
| cortisone@7.71 | ME309132 | 1.08 | 0.35 | 1.07 | 0.26 | 1.03 | 1.11 |
| glutamine | ME309158 | 1.26 | 0.38 | 1.26 | 0.41 | 1.01 | 1.01 |
| Car(16:2) | ME309115 | 1.14 | 0.30 | 1.13 | 0.37 | 1.05 | 1.05 |
| suberate | ME309249 | 1.20 | 0.29 | 1.19 | 0.28 | 1.01 | 1.07 |
| sebacate | ME309229 | 2.13 | 0.05 | 2.13 | 0.04 | 0.79 | 0.87 |
| Car(18:2) | ME309119 | 1.75 | 0.33 | 1.72 | 0.39 | 0.81 | 0.97 |
| inosine | ME309168 | 1.84 | 0.21 | 1.91 | 0.75 | 1.01 | 0.70 |
| SM(d35:1)@13.25 | ME309236 | 0.70 | 2.21 | 0.68 | 0.66 | 1.00 | 1.04 |
| SM(d36:1) | ME309237 | 0.95 | 1.58 | 0.93 | 0.99 | 1.01 | 0.95 |
| 2-piperidinone | ME309090 | 1.02 | 1.62 | 1.08 | 0.66 | 0.95 | 0.99 |
| gamma-glutamylmethionine | ME309153 | 0.98 | 1.46 | 0.96 | 0.61 | 0.98 | 1.03 |
| alpha-tocopherol | ME309099 | 0.69 | 1.24 | 0.65 | 0.63 | 1.03 | 1.14 |
| monoethylhexyl phthalate | ME309178 | 0.66 | 1.68 | 0.67 | 0.91 | 1.07 | 1.03 |
| hypoxanthine | ME309162 | 0.98 | 0.17 | 0.97 | 1.14 | 1.02 | 1.08 |
| PC(14:0)>PC(14:0_0:0) | ME309186 | 0.72 | 0.45 | 0.71 | 1.24 | 1.08 | 1.10 |
| Car(14:2) | ME309113 | 0.48 | 0.79 | 0.46 | 0.97 | 1.24 | 1.07 |
| Car(8:0) | ME309123 | 0.51 | 0.73 | 0.49 | 0.86 | 1.23 | 1.08 |
| Car(10:1) | ME309109 | 0.45 | 0.66 | 0.44 | 1.17 | 1.21 | 1.10 |
| Car(12:1) | ME309112 | 0.55 | 0.56 | 0.54 | 1.19 | 1.18 | 1.09 |
| PC(20:3)>PC(20:3_0:0)@11.60 | ME309196 | 0.48 | 1.27 | 0.40 | 1.16 | 1.11 | 1.11 |
| PC(18:2)>PC(18:2_0:0) | ME309193 | 0.24 | 1.04 | 0.24 | 1.35 | 1.12 | 1.21 |
| PC(18:1)>PC(18:1_0:0)@11.11 | ME309192 | 0.39 | 0.99 | 0.38 | 1.14 | 1.06 | 1.22 |
| PC(38:6) | ME309214 | 0.48 | 0.92 | 0.44 | 1.32 | 1.09 | 1.14 |
| urobilin | ME309260 | 0.64 | 1.21 | 0.64 | 1.08 | 1.08 | 1.07 |
| gibberellic acid | ME309155 | 0.74 | 1.20 | 0.76 | 1.14 | 1.05 | 1.04 |
| PC(40:8) | ME309216 | 0.76 | 1.30 | 0.68 | 1.15 | 1.03 | 1.05 |
| Car(12:0) | ME309111 | 0.62 | 0.80 | 0.62 | 1.36 | 1.11 | 1.06 |
| PC(20:3)>PC(20:3_0:0)@11.13 | ME309198 | 0.73 | 0.97 | 0.73 | 1.11 | 1.04 | 1.08 |
| urobilinogen | ME309261 | 0.70 | 0.88 | 0.70 | 1.13 | 1.13 | 1.03 |
| PC(20:0)>PC(20:0_0:0) | ME309194 | 1.41 | 0.74 | 1.40 | 1.56 | 0.80 | 0.94 |
| DG(36:3) | ME309141 | 0.99 | 1.21 | 0.97 | 2.09 | 0.93 | 0.91 |
| PC(17:0)>PC(17:0_0:0) | ME309190 | 0.95 | 1.34 | 0.96 | 1.91 | 0.88 | 0.97 |
| 3-hydroxyphenyl-valerate | ME309091 | 0.88 | 1.20 | 0.89 | 1.76 | 1.07 | 0.88 |
| gamma-glutamylisoleucine | ME309151 | 0.96 | 1.25 | 0.95 | 1.81 | 0.97 | 0.92 |
| proline | ME309224 | 0.85 | 1.02 | 0.85 | 1.92 | 1.00 | 0.96 |
| Car(18:0) | ME309117 | 0.75 | 1.11 | 0.76 | 1.92 | 0.94 | 1.05 |
| Glu-Phe | ME309157 | 0.86 | 1.22 | 0.85 | 1.90 | 0.95 | 0.98 |
| Ser-Leu | ME309230 | 0.87 | 0.86 | 0.87 | 1.68 | 0.97 | 1.02 |
| PC(18:1)>PC(18:1_0:0)@11.21 | ME309191 | 0.92 | 1.14 | 0.92 | 1.50 | 0.95 | 1.00 |
| SM(d35:1)@13.16 | ME309235 | 0.88 | 1.14 | 0.84 | 1.49 | 1.07 | 0.92 |
| Car(9:0)@7.41 | ME309125 | 0.80 | 0.88 | 0.79 | 1.46 | 0.99 | 1.07 |
| PC(33:2) | ME309205 | 0.98 | 1.00 | 0.95 | 1.34 | 1.00 | 0.98 |
| 3-indolepropionate | ME309092 | 0.87 | 1.00 | 0.86 | 1.46 | 0.97 | 1.03 |
| pantothenate | ME309185 | 0.94 | 0.95 | 0.94 | 1.44 | 0.97 | 1.01 |
| SM(d38:1) | ME309240 | 0.94 | 0.91 | 0.89 | 1.44 | 0.99 | 1.00 |
| piperine | ME309223 | 0.98 | 0.97 | 0.97 | 1.68 | 1.18 | 0.78 |
| theobromine | ME309250 | 0.90 | 0.59 | 0.89 | 1.63 | 1.25 | 0.80 |
| picolinate | ME309221 | 1.13 | 0.44 | 1.13 | 0.63 | 0.97 | 1.08 |
| N2,N2-dimethylguanosine | ME309179 | 1.15 | 0.59 | 1.13 | 0.79 | 1.00 | 1.01 |
| glycocholate | ME309160 | 1.17 | 0.57 | 1.16 | 0.66 | 0.99 | 1.02 |
| lysine | ME309173 | 1.11 | 0.62 | 1.11 | 0.58 | 1.02 | 1.03 |
| 2-acetylpyrrolidine | ME309087 | 1.42 | 0.88 | 1.38 | 0.76 | 0.85 | 0.98 |
| choline | ME309129 | 1.23 | 0.70 | 1.22 | 0.79 | 0.92 | 1.02 |
| FA(8:0, 2-NH2) | ME309150 | 1.27 | 0.75 | 1.24 | 0.82 | 0.86 | 1.05 |
| SM(d32:2) | ME309233 | 1.19 | 0.69 | 1.21 | 1.14 | 1.03 | 0.90 |
| sphingosine-1P (C18) | ME309248 | 1.17 | 0.59 | 1.16 | 1.17 | 0.94 | 1.01 |
| PC(35:2) | ME309209 | 1.15 | 0.71 | 1.11 | 1.13 | 0.95 | 1.00 |
| PC(36:4)@13.08 | ME309212 | 1.12 | 0.71 | 1.06 | 1.07 | 0.93 | 1.04 |
| PC(28:0) | ME309200 | 1.25 | 0.95 | 1.23 | 1.15 | 0.95 | 0.91 |
| SM(d40:2) | ME309242 | 1.16 | 0.96 | 1.14 | 1.21 | 0.95 | 0.95 |
| bilirubin | ME309105 | 1.18 | 0.99 | 1.16 | 1.33 | 0.94 | 0.93 |
| PC(32:2) | ME309204 | 1.19 | 0.92 | 1.20 | 1.28 | 0.98 | 0.90 |
| PC(34:3) | ME309208 | 1.17 | 0.86 | 1.18 | 1.35 | 0.92 | 0.97 |
| SM(d32:1) | ME309232 | 1.14 | 0.80 | 1.11 | 1.28 | 0.97 | 0.96 |
| Car(5:0) | ME309122 | 0.94 | 0.68 | 0.93 | 1.13 | 0.96 | 1.09 |
| PC(36:4)@13.26 | ME309213 | 0.93 | 0.83 | 0.84 | 1.14 | 1.00 | 1.05 |
| SM(d40:1) | ME309241 | 0.89 | 0.73 | 0.85 | 1.12 | 1.01 | 1.06 |
| Car(11:0) | ME309110 | 0.88 | 0.74 | 0.86 | 1.25 | 1.01 | 1.05 |
| Car(4:0,3-CH3) | ME309121 | 0.94 | 0.79 | 0.92 | 1.24 | 0.96 | 1.06 |
| glycochenodeoxycholate | ME309159 | 0.98 | 0.79 | 0.97 | 1.09 | 1.07 | 0.97 |
| PC(40:6) | ME309215 | 1.05 | 0.64 | 1.01 | 0.98 | 1.06 | 0.98 |
| 5-hydroxymethyluracil | ME309093 | 1.08 | 0.92 | 1.08 | 1.00 | 0.96 | 1.01 |
| FA(12:0-NH2) | ME309147 | 1.10 | 0.85 | 1.10 | 0.94 | 0.98 | 0.99 |
| PC(36:3) | ME309211 | 1.08 | 0.88 | 1.03 | 1.19 | 0.96 | 1.00 |
| SM(d34:2) | ME309234 | 1.08 | 0.85 | 1.06 | 1.14 | 0.98 | 0.98 |
| PC(32:0) | ME309202 | 1.07 | 0.96 | 0.96 | 1.14 | 0.98 | 0.99 |
| Ile-Pro | ME309163 | 1.07 | 1.02 | 1.06 | 1.23 | 0.93 | 1.00 |
| PC(30:0) | ME309201 | 1.07 | 0.99 | 1.06 | 1.11 | 0.97 | 0.98 |
| SM(d42:2) | ME309243 | 1.08 | 1.00 | 1.07 | 1.17 | 0.98 | 0.96 |
| cholate | ME309127 | 0.92 | 0.96 | 0.91 | 1.08 | 0.99 | 1.04 |
| PC(34:1) | ME309206 | 0.99 | 0.95 | 0.92 | 1.19 | 0.97 | 1.02 |
| PC(36:2) | ME309210 | 0.97 | 0.90 | 0.90 | 1.13 | 0.98 | 1.03 |
| methionine | ME309175 | 0.93 | 0.96 | 0.92 | 0.93 | 1.01 | 1.04 |
| tyrosine | ME309256 | 0.95 | 1.04 | 0.95 | 1.01 | 1.00 | 1.02 |
| carnitine | ME309126 | 0.97 | 1.01 | 0.97 | 0.97 | 0.99 | 1.02 |
| cortisone@7.57 | ME309131 | 1.00 | 1.02 | 0.99 | 0.94 | 1.00 | 1.00 |
| PC(20:4)>PC(20:4_0:0) | ME309199 | 0.99 | 1.00 | 0.98 | 1.05 | 0.99 | 1.01 |
| thyroxine | ME309252 | 1.00 | 0.97 | 0.99 | 1.03 | 0.97 | 1.03 |
| deoxyguanosine | ME309135 | 1.01 | 0.99 | 1.00 | 1.08 | 0.94 | 1.04 |
| Pro-Phe | ME309225 | 1.03 | 0.99 | 1.02 | 1.11 | 0.96 | 1.01 |
| indole-3-lactate | ME309165 | 1.02 | 0.91 | 1.01 | 1.07 | 0.92 | 1.07 |
| phenylalanine | ME309218 | 1.01 | 0.92 | 0.99 | 1.05 | 1.01 | 0.99 |
| tryptophan | ME309254 | 1.01 | 0.85 | 0.99 | 1.05 | 0.97 | 1.04 |
| 2-hydroxy-3-methylbutyrate | ME309089 | 0.98 | 0.90 | 0.97 | 1.01 | 0.98 | 1.04 |
| adipate | ME309096 | 0.97 | 0.91 | 0.96 | 1.01 | 0.99 | 1.04 |
| tryptophan-15N2 | ME309255 | 0.98 | 1.20 | 0.98 | 0.95 | 0.97 | 1.02 |
| N-acetylserine | ME309180 | 0.89 | 1.14 | 0.88 | 1.10 | 1.01 | 1.01 |
| urate | ME309258 | 0.92 | 1.14 | 0.91 | 1.10 | 1.01 | 1.01 |
| epibrassinolide | ME309146 | 0.97 | 1.08 | 0.96 | 1.16 | 0.99 | 0.99 |
| benzylbutylphthalate | ME309104 | 1.04 | 1.14 | 1.03 | 1.19 | 0.98 | 0.96 |
| leucine | ME309171 | 1.02 | 1.16 | 1.00 | 1.12 | 0.95 | 1.00 |
| PC(34:2) | ME309207 | 0.87 | 1.04 | 0.79 | 0.93 | 1.04 | 1.04 |
| Asp-Leu | ME309102 | 1.04 | 1.00 | 0.99 | 0.81 | 0.98 | 1.03 |
| indole-3-methyl acetate | ME309166 | 0.91 | 1.01 | 0.91 | 0.82 | 0.87 | 1.18 |
| mesobilirubinogen | ME309174 | 0.71 | 0.56 | 0.71 | 0.83 | 1.23 | 1.01 |
| gamma-glutamyltyrosine | ME309154 | 1.02 | 0.71 | 1.02 | 0.81 | 1.02 | 1.03 |
| alanine | ME309098 | 0.91 | 0.81 | 0.90 | 0.86 | 1.00 | 1.08 |
| valine | ME309263 | 0.93 | 0.79 | 0.92 | 0.86 | 1.02 | 1.06 |
| uracil | ME309257 | 0.89 | 0.62 | 0.89 | 0.83 | 1.05 | 1.08 |
| uridine | ME309259 | 0.87 | 0.56 | 0.86 | 0.65 | 1.06 | 1.10 |
| FA(18:2) | ME309149 | 1.48 | 1.30 | 1.47 | 0.90 | 0.87 | 0.87 |
| FA(18:1) | ME309148 | 1.17 | 1.59 | 1.20 | 1.07 | 0.94 | 0.89 |
| PC(20:3)>PC(20:3_0:0)@11.38 | ME309197 | 1.33 | 1.57 | 1.31 | 1.31 | 0.92 | 0.81 |
| ursodeoxycholate | ME309262 | 1.38 | 1.41 | 1.38 | 1.28 | 0.83 | 0.88 |
| Car(16:3) | ME309116 | 1.17 | 1.15 | 1.16 | 1.57 | 0.86 | 0.96 |
| deoxycholate | ME309134 | 1.22 | 1.24 | 1.21 | 1.46 | 0.75 | 1.03 |
| PC(20:3)>PC(20:3_0:0)@11.46 | ME309195 | 1.03 | 1.30 | 1.00 | 1.26 | 0.95 | 0.97 |
| PC(32:1) | ME309203 | 1.10 | 1.26 | 1.03 | 1.31 | 0.93 | 0.96 |
| indoleacetate | ME309167 | 0.97 | 1.37 | 0.97 | 1.16 | 0.92 | 1.01 |
| pipecolate | ME309222 | 0.94 | 1.47 | 0.93 | 1.16 | 0.93 | 1.01 |
| oleamide | ME309184 | 1.14 | 1.18 | 1.16 | 1.10 | 0.98 | 0.92 |
| N-lauroylglycine | ME309182 | 1.20 | 1.37 | 1.21 | 1.31 | 0.91 | 0.90 |
| SM(d36:3) | ME309239 | 1.20 | 1.17 | 1.14 | 1.34 | 0.91 | 0.93 |
| PC(16:0)>PC(16:0_0:0) | ME309188 | 0.23 | 1.33 | 0.23 | 1.68 | 1.11 | 1.15 |
| niacinamide | ME309181 | 0.89 | 0.90 | 0.89 | 2.83 | 0.83 | 0.99 |
| lenticin | ME309170 | 1.00 | 1.14 | 0.99 | 2.40 | 0.80 | 0.99 |
| DG(36:2)>DG(18:1_18:1_0:0) | ME309140 | 0.80 | 1.42 | 0.77 | 2.57 | 0.93 | 0.92 |
| aspartate-13C4 | ME309101 | 0.78 | 1.14 | 0.77 | 2.66 | 1.04 | 0.85 |
| PC(15:0)>PC(15:0_0:0) | ME309187 | 0.80 | 0.99 | 0.81 | 2.43 | 0.95 | 0.96 |
| Car(4:0) | ME309120 | 0.45 | 0.61 | 0.44 | 1.88 | 1.02 | 1.18 |
| PC(16:1)>PC(16:1_0:0) | ME309189 | 0.49 | 0.92 | 0.49 | 2.20 | 1.03 | 1.08 |
| Car(16:1) | ME309114 | 0.63 | 0.93 | 0.61 | 2.25 | 1.07 | 0.98 |
| Car(18:1) | ME309118 | 0.67 | 0.82 | 0.68 | 2.34 | 0.96 | 1.05 |
| hippurate | ME309161 | 0.78 | 0.63 | 0.77 | 2.10 | 0.81 | 1.19 |
| Car(9:0)@7.27 | ME309124 | 0.82 | 0.68 | 0.80 | 1.98 | 1.00 | 1.01 |
| trans-cyclohexane-1,2-diol | ME309253 | 0.99 | 0.63 | 0.93 | 2.10 | 0.88 | 1.03 |
| S-allylcysteine | ME309228 | 0.06 | 0.92 | 0.06 | 9.73 | 0.70 | 0.66 |
| edetate | ME309145 | 0.00 | 11.08 | 0.00 | 10.23 | 0.00 | 0.00 |
| serotonin | ME309231 | 0.60 | 8.72 | 0.60 | 1.98 | 0.54 | 0.53 |
| dUMP | ME309144 | 0.41 | 6.30 | 0.41 | 7.93 | 0.39 | 0.33 |
| acetaminophen | ME309095 | 0.43 | 6.93 | 0.43 | 5.01 | 0.83 | 0.20 |
| creatine | ME309133 | 0.47 | 5.87 | 0.46 | 5.07 | 0.53 | 0.57 |
Factors:
| F1 | Sample type:batch pool | Gender:- |
| F2 | Sample type:chear plasma | Gender:- |
| F3 | Sample type:master pool | Gender:- |
| F4 | Sample type:red cross plasma | Gender:- |
| F5 | Sample type:Sample | Gender:female |
| F6 | Sample type:Sample | Gender:male |
