Data for GC/MS and LC/MS metabolomics profiling for breast cancer serum data and control serum data (Study ST000356)
(Analysis AN000583)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 |
---|---|---|---|---|
1,11-Undecanedicarboxylic acid | 0.0522 | 0.0536 | 0.0940 | 3.5456 |
1-Methylxanthine | 1.0986 | 1.1067 | 1.1413 | 0.5946 |
20-Carboxyleukotriene B4 | 0.4188 | 0.1758 | 0.2521 | 2.6181 |
2,4-Dichlorophenol | 0.9761 | 1.0369 | 1.0701 | 0.8388 |
2,8-Dihydroxyadenine | 0.9464 | 1.1184 | 1.0849 | 0.6908 |
2-Aminobutyric acid | 0.2099 | 0.3640 | 0.3530 | 3.1391 |
2-cholo-phenylalanine | 0.9532 | 1.0863 | 0.9587 | 0.9325 |
2-Deoxyribonic acid | 1.0419 | 1.0992 | 1.1146 | 0.6581 |
2-Furoylglycine | 0.7399 | 0.7802 | 0.7639 | 1.7628 |
2-Hydroxy-2-methylbutyric acid | 0.9738 | 1.0771 | 1.0122 | 0.8622 |
2-Hydroxyethanesulfonate | 0.9436 | 1.0375 | 1.1042 | 0.7924 |
2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate | 0.8322 | 0.8886 | 0.8998 | 1.3641 |
2-Phenylacetamide | 1.0737 | 0.8313 | 1.2545 | 0.8720 |
3,3^,4^5-Tetrahydroxystilbene | 0.7348 | 1.1236 | 0.9915 | 0.8649 |
3,4,5-Trimethoxycinnamic acid | 1.3115 | 1.3443 | 1.0771 | 0.2674 |
3b,16a-Dihydroxyandrostenone sulfate | 0.6703 | 0.9471 | 0.7509 | 1.5250 |
3-Furoic acid | 1.1453 | 0.9101 | 1.0049 | 1.1094 |
3-Indolebutyric acid | 0.5549 | 0.4822 | 0.4696 | 2.7254 |
3-Methylglutaconic acid | 1.1897 | 1.1769 | 1.0842 | 0.5503 |
3-Pyridinebutanoic acid | 0.7305 | 0.7578 | 0.7691 | 1.7928 |
3-Pyridylacetic acid | 0.5290 | 1.0663 | 0.9517 | 1.0574 |
4-Hydroxybenzoic acid | 0.1532 | 0.1541 | 0.1770 | 3.7759 |
4-Hydroxybutyric acid | 0.9866 | 1.0246 | 1.0415 | 0.8999 |
4-hydroxy-proline | 1.0388 | 1.0337 | 1.0184 | 0.9102 |
4-methyl-2-oxovaleric acid | 1.1517 | 1.1637 | 1.1807 | 0.4326 |
5-Acetylamino-6-formylamino-3-methyluracil | 1.0822 | 1.0244 | 1.0411 | 0.8824 |
5-Amino-6-ribitylamino uracil | 0.3338 | 0.4710 | 0.4753 | 2.7776 |
5-Methyldeoxycytidine | 1.1758 | 1.1462 | 1.3592 | 0.1857 |
5^-Phosphoribosyl-N-formylglycinamide | 1.0964 | 1.1739 | 1.2372 | 0.3412 |
6-Hydroxynicotinic acid | 0.2910 | 0.3037 | 0.3305 | 3.2753 |
7b-Hydroxydehydroepiandrosterone | 1.8418 | 1.0790 | 1.2608 | 0.3142 |
Acetylcarnitine | 1.0265 | 1.0374 | 1.0417 | 0.8713 |
Acetylglycine | 0.8404 | 1.0508 | 0.9152 | 1.0776 |
Allyl isothiocyanate | 1.2475 | 1.2667 | 1.2132 | 0.1986 |
Alpha-N-Phenylacetyl-L-glutamine | 1.0695 | 0.9893 | 1.0382 | 0.9458 |
Androstenedione | 0.7473 | 1.0201 | 1.0600 | 0.9255 |
Arabinose | 0.5728 | 0.9593 | 0.9253 | 1.2616 |
Arginine | 0.6363 | 0.6142 | 0.6177 | 2.2722 |
Aspartic acid | 0.4363 | 0.6045 | 0.5917 | 2.3661 |
Benzaldehyde | 0.8068 | 0.8722 | 0.8569 | 1.4605 |
Beta-alanine | 0.9782 | 0.9728 | 0.9814 | 1.0764 |
Betaine | 0.9836 | 0.9641 | 0.9919 | 1.0735 |
Biflorin | NA | 0.0146 | 0.2155 | 1.1508 |
Bilirubin | 1.2291 | 1.2545 | 1.2266 | 0.0481 |
B-Sulfinyl pyruvate | 0.9997 | 1.0193 | 1.0764 | 0.8531 |
But-2-enoic acid | 1.2518 | 1.2353 | 1.2942 | 0.1257 |
Butyrylcarnitine | 1.0176 | 0.9594 | 1.2494 | 0.6734 |
Carnitine | 1.1044 | 1.1265 | 1.1755 | 0.5097 |
choline | 0.3664 | 0.4620 | 0.4673 | 2.7981 |
cis-5-Tetradecenoylcarnitine | 1.2252 | 1.1807 | 1.0205 | 0.6339 |
Citrulline | 0.9029 | 0.9418 | 0.9484 | 1.1910 |
Coproporphyrin | 1.0630 | 1.1933 | 1.4217 | 0.0366 |
Cortisol | 1.0764 | 0.9431 | 1.0805 | 0.9576 |
creatinine | 0.9877 | 1.0002 | 1.0241 | 0.9655 |
Cysteinylglycine | 0.7142 | 0.8400 | 1.0642 | 1.2161 |
Cytidine | 0.5033 | 0.7447 | 0.7869 | 1.8227 |
D-Alanyl-D-alanine | 0.9860 | 1.0109 | 1.0440 | 0.9184 |
Decanoylcarnitine | 1.8728 | 1.2180 | 1.0865 | 0.3483 |
Delta-hydroxylysine | 1.1010 | 1.1258 | 1.1799 | 0.5048 |
D-Glucuronic acid | 0.8717 | 0.9906 | 1.0743 | 0.9273 |
Dihydrothymine | 0.5200 | 1.1218 | 1.4233 | 0.2547 |
Dihydrouracil | 0.9559 | 0.9004 | 0.9117 | 1.3030 |
Dimethylallylpyrophosphate | 0.8645 | 0.9684 | 0.9059 | 1.2199 |
Dimethylbenzimidazole | 0.5552 | 0.5792 | 0.6033 | 2.3662 |
Dimethyl sulfone | 0.2277 | 1.0694 | 1.5256 | 0.2406 |
Dimethyl sulfoxide | 0.9464 | 1.0242 | 1.0822 | 0.8468 |
Dimethyltryptamine | 1.3916 | 0.9641 | 1.1363 | 0.7755 |
DL-2-Aminooctanoic acid | 0.9593 | 1.1953 | 0.9802 | 0.7228 |
Dodecanoylcarnitine | 1.2878 | 1.1805 | 1.0119 | 0.6352 |
dUMP | 0.8384 | 0.9647 | 1.0489 | 1.0141 |
Ecgonine | 0.8405 | 0.8724 | 0.9767 | 1.2720 |
Estradiol-17beta 3-sulfate | 1.0159 | 1.0304 | 1.0907 | 0.8104 |
Estrone sulfate | 0.6137 | 1.0019 | 0.8401 | 1.3093 |
Galactose | 1.1126 | 1.1320 | 1.0948 | 0.6089 |
Gluconate | 0.2524 | 0.2991 | 0.3475 | 3.2645 |
Glutamine | 1.0951 | 1.1276 | 1.2346 | 0.4201 |
Glutamylphenylalanine | 0.6086 | 0.7605 | 0.8302 | 1.7194 |
Glutarylglycine | 0.9432 | 0.9579 | 0.9387 | 1.1718 |
Glutathione | 0.9353 | 0.8875 | 0.9420 | 1.2819 |
Glycine | 0.7938 | 0.8420 | 0.8402 | 1.5370 |
Glycocholic acid | 3.7954 | 0.8509 | 1.0008 | 0.6981 |
Glycolic acid | 0.9407 | 0.9616 | 0.9981 | 1.0764 |
Guanidinosuccinic acid | 1.0883 | 0.9677 | 1.0101 | 1.0169 |
Heptadecanoic acid | 1.0219 | 0.9673 | 1.0191 | 1.0196 |
Hexanoylcarnitine | 1.6216 | 1.1171 | 1.1528 | 0.4592 |
Hippuric acid | 1.0637 | 0.8184 | 1.2620 | 0.8834 |
Histidine | 0.9373 | 1.0418 | 1.0076 | 0.9332 |
Histidylproline diketopiperazine | 1.0349 | 1.0601 | 1.0626 | 0.8014 |
Homocysteic acid | 0.8205 | 0.8673 | 1.4065 | 0.6281 |
Homoserine | 1.0060 | 0.8641 | 0.9105 | 1.3536 |
Hydrogen sulfite | 1.3168 | 1.0618 | 0.9177 | 0.9638 |
Hypoxanthine | 0.6367 | 1.0016 | 0.9557 | 1.1349 |
Indole | 0.9612 | 0.9926 | 0.9367 | 1.1155 |
Indole-5,6-quinone | 1.4207 | 1.1716 | 1.1851 | 0.3612 |
Indoleacrylic acid | 0.9893 | 1.0023 | 0.9823 | 1.0250 |
Indoxyl | 0.8343 | 0.8777 | 0.9042 | 1.3746 |
Indoxyl sulfate | 1.0029 | 0.9545 | 0.9866 | 1.0931 |
Isohomovanillic acid | 0.9944 | 1.0236 | 0.8834 | 1.1397 |
Isovalerylsarcosine | 0.9093 | 1.0533 | 0.9519 | 1.0046 |
-Ketoglutaric acid | 1.0275 | 1.1825 | 1.3212 | 0.2133 |
Kynurenine | 0.8760 | 1.0433 | 1.0903 | 0.8173 |
Lactic acid | 0.8500 | 0.9647 | 1.0037 | 1.0804 |
L-arginine | 1.0114 | 0.9814 | 0.9733 | 1.0682 |
L-beta-aspartyl-L-phenylalanine | 1.0515 | 1.2839 | 1.2808 | 0.1064 |
Leucine | 0.7670 | 0.7790 | 0.7290 | 1.8123 |
Leucinic acid | 0.9367 | 0.9689 | 1.0093 | 1.0483 |
L-glycyl-L-hydroxyproline | 0.8732 | 1.0489 | 1.0264 | 0.9056 |
L-Rhamnose | 0.7232 | 0.9502 | 0.9525 | 1.2059 |
L(-)-Sorbose | 1.0545 | 1.0832 | 1.0744 | 0.7424 |
LysoPC(16:0) | 1.4643 | 1.1854 | 0.9651 | 0.6641 |
LysoPC(16:1(9Z)) | 1.3984 | 1.0367 | 1.0102 | 0.8467 |
LysoPC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)) | 1.9004 | 0.8051 | 1.0343 | 1.0828 |
Mannitol | 1.0057 | 0.8937 | 0.9611 | 1.2293 |
Mannitol 1-phosphate | 1.0270 | 1.0378 | 1.0099 | 0.9188 |
Mannose | 0.8164 | 0.9924 | 0.9970 | 1.0524 |
Mesaconic acid | 1.2820 | 1.2429 | 1.3110 | 0.0821 |
Methionine sulfoxide | 0.2637 | 0.1924 | 0.2955 | 3.2659 |
Methylacetoacetic acid | 1.3402 | 1.2251 | 1.2983 | 0.1188 |
Methylguanidine | 1.0079 | 1.0833 | 1.1891 | 0.5774 |
Methylmalonic acid | 0.4224 | 0.4701 | 0.4508 | 2.7991 |
Methylnoradrenaline | 1.2177 | 1.2229 | 1.2224 | 0.2611 |
Mevalonolactone | 1.1614 | 1.2202 | 1.2670 | 0.2089 |
Monoisobutyl phthalic acid | 1.1176 | 1.1136 | 1.3493 | 0.2681 |
Myoinositol | 0.8078 | 1.1544 | 0.9466 | 0.8690 |
N1-Methyl-4-pyridone-3-carboxamide | 1.0373 | 0.8993 | 1.2736 | 0.7405 |
N-a-Acetyl-L-arginine | 1.0213 | 0.8710 | 1.1458 | 0.9828 |
N-Acetylgalactosamine 4-sulphate | 0.7092 | 0.9139 | 0.9652 | 1.2479 |
N-Acetylneuraminic acid | 0.5441 | 0.6683 | 0.7149 | 2.0556 |
N-Formyl-L-methionine | 0.8759 | 1.0019 | 0.9798 | 1.0516 |
N-Glycolylneuraminic acid | 1.2098 | 1.1078 | 1.1191 | 0.6050 |
Nicotinic acid mononucleotide | 0.9640 | 0.9629 | 0.9502 | 1.1423 |
Norepinephrine sulfate | 0.7377 | 0.8228 | 0.8696 | 1.5343 |
Norophthalmic acid | 1.0971 | 1.2220 | 1.2554 | 0.1832 |
Octanoylcarnitine | 1.9991 | 1.1766 | 1.1181 | 0.3428 |
Ornithine | 0.9424 | 0.9700 | 0.9411 | 1.1488 |
p-Cresol | 1.3108 | 1.0588 | 0.9063 | 0.9872 |
Phenylglyoxylic acid | 1.0167 | 0.9852 | 1.0836 | 0.8939 |
Phenylpropionylglycine | 0.8607 | 0.9844 | 0.8982 | 1.2064 |
phospholic choline | 1.0644 | 0.9887 | 1.0379 | 0.9483 |
Pipecolic acid | 0.8444 | 1.0008 | 1.2320 | 0.6771 |
Pregnenolone sulfate | 0.9537 | 1.0546 | 0.9433 | 1.0066 |
Progesterone | 1.2257 | 1.1738 | 1.0398 | 0.6157 |
Proline | 0.9190 | 0.9314 | 1.0020 | 1.1232 |
Proline betaine | 1.1477 | 1.3617 | 1.1074 | 0.2252 |
Propionic acid | 1.0206 | 0.8937 | 0.9509 | 1.2418 |
Pseudouridine | 0.8909 | 0.9870 | 0.9951 | 1.0495 |
Pyrrolidonecarboxylic acid | 0.8217 | 0.9427 | 1.2995 | 0.6728 |
Quinone | 1.0872 | 1.0803 | 1.1094 | 0.6876 |
Riboflavin | 1.4138 | 1.0744 | 1.1232 | 0.6131 |
Ribothymidine | 0.2817 | 0.3282 | 0.3965 | 3.1375 |
Sebacic acid | 0.8588 | 0.8727 | 1.0570 | 1.1462 |
Se-Methylselenocysteine | 0.9090 | 1.0722 | 1.1912 | 0.6113 |
Sertraline | 0.9402 | 1.1125 | 1.2467 | 0.4560 |
Sorbose | 0.8164 | 0.9924 | 0.9970 | 1.0524 |
Sphingosine | 0.3416 | 0.4126 | 0.4517 | 2.8329 |
Suberic acid | 0.8710 | 0.8989 | 0.9370 | 1.2836 |
Succinic acid semialdehyde | 1.0986 | 1.1347 | 1.1544 | 0.5296 |
Succinyladenosine | 1.1041 | 1.1420 | 1.1035 | 0.5939 |
Taurine | 0.9056 | 1.0969 | 1.2457 | 0.4895 |
Testosterone | 1.6670 | 1.0741 | 1.2452 | 0.3797 |
Tetrahydroneopterin | 1.2173 | 1.0771 | 1.2051 | 0.5227 |
Thiamine | 1.1773 | 0.9701 | 0.9800 | 1.0443 |
Traumatic acid | 1.0830 | 0.9624 | 1.2054 | 0.7332 |
Trimethylamine | 0.6909 | 0.7910 | 0.8611 | 1.6076 |
Trimethylamine N-Oxide | 0.9684 | 1.0001 | 1.1541 | 0.7723 |
Tryptophan | 0.9916 | 0.9973 | 0.9873 | 1.0252 |
Tyramine-O-sulfate | 1.0300 | 1.0080 | 1.0431 | 0.9159 |
uracil | 0.8357 | 0.9589 | 1.0462 | 1.0281 |
Urea | 0.8698 | 1.0142 | 1.0799 | 0.8811 |
uric acid | 1.0076 | 0.9709 | 0.9836 | 1.0704 |
Valine | 1.0045 | 0.9211 | 0.9617 | 1.1845 |
Factors:
F1 | Diagnosis:breast cancer | stage:- |
F2 | Diagnosis:breast cancer | stage:2 |
F3 | Diagnosis:breast cancer | stage:3 |
F4 | Diagnosis:control | stage:- |