Data for GC/MS and LC/MS metabolomics profiling for breast cancer serum data and control serum data (Study ST000356)
(Analysis AN000582)Values for each metabolite have been scaled by dividing by the mean across all factors Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this studyMetabolite | F1 | F2 | F3 | F4 |
---|---|---|---|---|
11,14-Eicosadienoic acid | 0.9170 | 0.7316 | 0.8679 | 1.6492 |
1,4-Butanediamine | 1.1907 | 0.8874 | 0.8440 | 1.3725 |
1H-Indole-3-acetic acid | 1.1953 | 0.8841 | 0.9375 | 1.2439 |
1-Monooleoylglycerol | 0.5182 | 0.8111 | 1.7833 | 0.2104 |
1-Monopalmitin | 0.9044 | 0.9079 | 1.0480 | 1.0943 |
1-stearoyl-rac-glycerol | 0.9562 | 0.7521 | 1.0111 | 1.3915 |
2,3-Dihydroxybutanoic acid | 0.8374 | 0.8098 | 0.7933 | 1.6516 |
2-deoxy-3,4,5-tris-O-(trimethylsilyl)pentonate | 0.4402 | 0.7057 | 0.7240 | 2.0016 |
2-Hydroxy-3-methylbutyric acid | 0.8196 | 0.7904 | 0.7785 | 1.7089 |
2-hydroxybutyric acid | 1.0004 | 0.9989 | 1.0157 | 0.9779 |
2-oxo-3-methylbutanoate | 1.0461 | 1.0041 | 0.9912 | 0.9978 |
2-oxo-3-methylvaleric acid | 1.2133 | 1.2635 | 1.2679 | 0.1275 |
2-oxo-4-methylvaleric acid | 1.2263 | 1.2519 | 1.3231 | 0.0600 |
2-Piperidinecarboxylic acid | 0.6276 | 0.7820 | 1.1781 | 1.1536 |
2-Piperidone, 3-amino | 0.6877 | 0.6413 | 0.5762 | 2.2816 |
2-pyrrolidone-5-carboxylic acid | 1.0176 | 0.8480 | 0.9501 | 1.3175 |
3,6-Dioxa-2,7-disilaoctane, 2,2,4,7,7-pentamethyl- | 0.3826 | 0.7988 | 1.3903 | 0.8523 |
3-Hydroxybutyric acid | 0.6781 | 0.9113 | 0.7623 | 1.5657 |
3-hydroxyisobutyric acid | 1.0950 | 0.9958 | 1.0484 | 0.9150 |
3-hydroxyoxyisovaleric acid | 0.9851 | 0.8657 | 0.8729 | 1.4122 |
3-hydroxypyridine | 1.0205 | 1.0068 | 0.9732 | 1.0257 |
4-(acetylamino)phenyl-Glucopyranosiduronic acid | 1.1679 | 0.8682 | 1.5729 | 0.3115 |
4-aminobutyric acid | 1.6188 | 0.9922 | 0.7855 | 1.2180 |
4-Hydroxyphenyllactic acid | 0.3486 | 0.8352 | 1.3607 | 0.8449 |
4-Ketoglucose | 1.2904 | 0.7871 | 1.1554 | 1.0516 |
(5-Amino-1H-tetraazol-1-yl)acetic acid | 0.8639 | 0.7587 | 0.9032 | 1.5623 |
5-Deoxypyridoxal | 0.9558 | 0.9797 | 1.0135 | 1.0208 |
5-oxoproline | 0.6943 | 0.7467 | 0.7878 | 1.7895 |
6-hydroxy-2-aminohexanoic acid | 0.4314 | 0.7833 | 1.3137 | 0.9699 |
Alanine | 0.8821 | 0.8450 | 0.9046 | 1.4173 |
Aminoadipic acid | 0.6097 | 0.9259 | 1.2227 | 0.8574 |
Aminomalonic acid | 0.7895 | 0.7755 | 0.8488 | 1.6321 |
Anthranilic acid | 0.6759 | 0.7815 | 0.7580 | 1.7820 |
Arabitol | 0.9273 | 0.8244 | 0.8965 | 1.4543 |
Arachidonic acid | 0.4702 | 0.6331 | 0.6102 | 2.2853 |
Asparagine | 1.0068 | 1.0517 | 1.1518 | 0.6852 |
Cadaverine | 1.2257 | 1.2205 | 0.8928 | 0.7632 |
Caproic acid | 0.5215 | 0.5822 | 0.5866 | 2.3933 |
Cholesterol | 0.9842 | 0.9692 | 1.1537 | 0.8197 |
Citric acid | 1.0401 | 0.9138 | 1.0136 | 1.1112 |
Creatinine | 1.1478 | 1.0535 | 1.1375 | 0.6766 |
Cyclohexanone | 0.1121 | 0.0815 | 2.7290 | 0.0319 |
Cyclohexyloxy | 0.9330 | 0.9721 | 1.0375 | 1.0023 |
Cystine | 1.2935 | 1.1639 | 1.2981 | 0.2268 |
cytosine | 1.0090 | 1.0219 | 0.9678 | 1.0117 |
Decanoic acid | 1.0326 | 1.0041 | 1.0619 | 0.8932 |
Decosahexaenoic acid | 0.8009 | 0.6324 | 0.5220 | 2.3562 |
D-Gluconic acid | 0.9678 | 0.8237 | 0.8687 | 1.4896 |
Elaidic acid | 1.3520 | 0.7425 | 0.9234 | 1.4634 |
Erythrotetrofuranose | 0.7168 | 0.9174 | 0.8479 | 1.4187 |
Ethanolamine | 0.7437 | 0.7697 | 0.6934 | 1.8859 |
Fructose | 1.5665 | 0.8205 | 0.9452 | 1.2629 |
Glucopyranose | 0.8153 | 1.0103 | 1.1682 | 0.7642 |
Glucose | 0.7827 | 0.8883 | 0.9504 | 1.2975 |
Glutamate | 0.2737 | 0.3817 | 0.3174 | 3.1728 |
Glutaric acid | 0.6339 | 0.6934 | 0.5335 | 2.2727 |
Glyceric acid | 0.7321 | 0.8851 | 0.9569 | 1.3012 |
Glycerol | 0.4839 | 0.6265 | 0.5415 | 2.3974 |
glycerol phosphate | 0.6919 | 0.8053 | 0.8056 | 1.6683 |
glycol | 0.9877 | 0.9844 | 1.0303 | 0.9825 |
Hexadecanoic acid | 0.6320 | 0.7850 | 0.7483 | 1.7995 |
Hydroxy, acetic acid | 0.9642 | 0.9078 | 0.8720 | 1.3498 |
Hydroxyglutaric acid | 0.9550 | 1.1402 | 1.2493 | 0.4047 |
Inositol | 0.7204 | 1.0505 | 1.2470 | 0.5981 |
Isoleucine | 0.9367 | 0.9060 | 0.8241 | 1.4306 |
L-2-aminobutyric acid | 1.1050 | 1.0515 | 1.0509 | 0.8194 |
laurate | 0.7472 | 0.9191 | 1.0375 | 1.1226 |
Linolic acid | 0.4665 | 0.8068 | 0.7070 | 1.8591 |
L-Val-L-Leu | 0.2186 | 0.2518 | 0.2614 | 3.4778 |
Lysine | 0.9647 | 0.9249 | 0.8560 | 1.3464 |
Malic acid | 0.4630 | 0.5708 | 0.7164 | 2.2261 |
Maltose | 0.2244 | 1.7279 | 0.6045 | 0.5756 |
Mannonic acid, lactone | 1.1353 | 1.0447 | 1.0523 | 0.8224 |
Methionine | 1.1589 | 1.1167 | 1.0501 | 0.7052 |
Methyltyrosine | 1.0245 | 0.8997 | 0.6930 | 1.6225 |
Myo-Inositol, phosphate | 0.9755 | 0.9440 | 1.0205 | 1.0639 |
N-Acetyl-L-aspartic acid | 0.5625 | 0.8207 | 1.0173 | 1.3475 |
N-Acetyl-L-Lysine | 0.7394 | 0.8365 | 0.8598 | 1.5222 |
Nicotinic acid | 1.2027 | 1.1096 | 0.8028 | 1.0830 |
N,N-Dimethylglycine | 0.8800 | 0.9697 | 1.0211 | 1.0402 |
Octadecanoic acid | 0.7636 | 0.8671 | 0.7686 | 1.5669 |
Oleamide | 1.6614 | 1.4264 | 0.9157 | 0.2891 |
Oleic acid | 0.6891 | 0.9395 | 0.8496 | 1.3858 |
Palmitelaidic acid | 0.6065 | 0.7516 | 0.7022 | 1.9283 |
Phenylalanine | 0.7638 | 0.7349 | 0.7136 | 1.9076 |
Phosphate | 0.9857 | 0.9936 | 1.0034 | 1.0079 |
Phthalic acid | 1.0834 | 1.0184 | 0.9672 | 1.0039 |
Proline | 0.9718 | 0.9421 | 0.8774 | 1.2847 |
pyruvic acid | 1.1341 | 1.1779 | 1.4503 | 0.0045 |
Salicylic acid | 0.0331 | 0.0291 | 0.0227 | 4.2348 |
Serine | 0.7778 | 0.7163 | 0.6382 | 2.0492 |
Spirophosph-Glucopyranoside | 0.4265 | 1.1288 | 0.5911 | 1.5274 |
Succinic acid | 0.4455 | 0.5559 | 0.4461 | 2.6635 |
Tetradecanoic acid | 0.4573 | 0.8900 | 0.8043 | 1.5791 |
Threonic acid | 0.8715 | 1.1708 | 1.3101 | 0.2891 |
Threonine | 1.0055 | 0.8722 | 0.8037 | 1.5027 |
thymine | 0.9993 | 1.0284 | 0.9627 | 1.0108 |
Trehalose | 0.7165 | 0.8779 | 0.9949 | 1.2595 |
Tyrosine | 0.9970 | 0.8921 | 0.8752 | 1.3638 |
vitamin E | 1.3806 | 1.0690 | 1.3912 | 0.2220 |
Xylitol | 0.7922 | 0.8357 | 0.7943 | 1.6171 |
Factors:
F1 | Diagnosis:breast cancer | stage:- |
F2 | Diagnosis:breast cancer | stage:2 |
F3 | Diagnosis:breast cancer | stage:3 |
F4 | Diagnosis:control | stage:- |