Data for Necrotizing soft-tissue infections (NSTIs) metabolomics (Study ST001270)
(Analysis AN002110)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 study| Metabolite | F1 | F2 | F3 | F4 | F5 | F6 | F7 |
|---|---|---|---|---|---|---|---|
| 1,5-ANHYDRO-D-GLUCITOL | 0.9938 | 0.9781 | 0.7863 | 0.0822 | 0.8042 | 0.7556 | 1.1778 |
| 1-PALMITOYL-sn-GLYCERO-3-PHOSPHOCHOLINE derivative | 0.5742 | 0.6139 | 0.5277 | 0.6090 | 0.5392 | 0.4268 | 1.9267 |
| 1-STEAROYL-sn-GLYCERO-3-PHOSPHOCHOLINE derivative | 0.6177 | 0.5870 | 0.6340 | 0.3582 | 0.4932 | 0.4982 | 1.8708 |
| 2,3-Dihydroxybutanoic acid-like | 0.9702 | 1.2949 | 1.5107 | 0.9900 | 1.2641 | 1.1553 | 0.7280 |
| 2-AMINOBUTYRIC ACID | 0.9431 | 1.0381 | 1.2349 | 1.2823 | 1.1134 | 0.8565 | 0.9755 |
| 2-OXOBUTYRIC ACID | 1.0736 | 1.0571 | 1.1002 | 1.0759 | 1.2544 | 1.0403 | 0.8092 |
| 3,4-Dihydroxybutanoic acid-like | 1.1054 | 1.6415 | 1.6231 | 0.6834 | 1.2207 | 0.8785 | 0.4786 |
| 3-HYDROXYBUTYRIC ACID | 0.7225 | 1.4206 | 1.7052 | 3.2088 | 1.6077 | 0.7845 | 0.8009 |
| 3-HYDROXYISOVALERIC ACID | 1.0263 | 1.1617 | 1.8275 | 0.7884 | 1.7772 | 0.8073 | 0.5767 |
| 4-HYDROXYPHENYLACETIC ACID | 1.0007 | 1.8603 | 1.8084 | 0.7123 | 1.1144 | 0.5305 | 0.5392 |
| 5,6-Dihydrouracil-like | 0.9681 | 0.9556 | 0.8996 | 1.0957 | 1.0474 | 1.0401 | 1.0585 |
| ACETAMINOPHEN | 1.2167 | 1.0661 | 1.0924 | 1.2312 | 0.4289 | 1.2075 | 0.7886 |
| ADENOSINE | 1.1563 | 0.6266 | 0.5833 | 1.7133 | 0.6998 | 0.5982 | 1.1269 |
| ADIPIC ACID | 1.0118 | 1.0026 | 1.2950 | 0.8165 | 1.3936 | 0.8882 | 0.8515 |
| ALANINE | 0.8948 | 1.1520 | 0.7181 | 0.5762 | 0.8727 | 0.7615 | 1.2112 |
| ALPHA-KETOGLUTARIC ACID | 0.8821 | 2.0828 | 0.9005 | 0.5456 | 1.1921 | 0.7428 | 0.7875 |
| ALPHA-TOCOPHEROL | 0.8956 | 0.9842 | 0.7639 | 0.9421 | 0.7661 | 0.7096 | 1.2717 |
| Aminomalonic acid-like | 0.7377 | 0.7753 | 0.6971 | 0.9326 | 0.8768 | 0.8418 | 1.5042 |
| ASPARAGINE (3TMS) | 1.0326 | 1.2765 | 0.7761 | 0.8055 | 1.0643 | 0.8897 | 0.9292 |
| ASPARAGINE (4TMS) | 1.0573 | 1.0497 | 1.0045 | 0.5775 | 1.1535 | 0.8809 | 0.9161 |
| BETA-ALANINE (2TMS) | 0.9635 | 1.1519 | 1.4122 | 0.7481 | 1.4885 | 0.8456 | 0.8130 |
| BETA-ALANINE (3TMS) | 0.9528 | 1.4438 | 1.0382 | 0.9131 | 1.1679 | 1.1597 | 0.8360 |
| chiro-INOSITOL | 0.9675 | 1.1775 | 0.7730 | 0.6338 | 2.7219 | 0.7048 | 0.7246 |
| CHOLESTEROL | 0.9796 | 1.0021 | 0.9654 | 0.9201 | 0.9994 | 0.9228 | 1.0445 |
| CITRIC ACID | 0.7518 | 1.5866 | 0.6302 | 0.6277 | 0.7277 | 0.5273 | 1.3004 |
| CREATININE | 1.3852 | 0.7072 | 1.3686 | 0.7614 | 1.5231 | 0.6711 | 0.5123 |
| CYSTATHIONINE | 1.2734 | 0.7119 | 1.6974 | 0.7210 | 0.7368 | 0.7237 | 0.7153 |
| CYSTEINE | 1.1693 | 1.1098 | 1.0485 | 0.6459 | 0.9291 | 1.0912 | 0.7731 |
| Cysteine, S-methyl-, DL- (2TMS) | 0.7412 | 0.8588 | 0.8338 | 0.8224 | 0.8935 | 0.7837 | 1.4448 |
| CYSTINE | 0.9177 | 1.1611 | 0.7928 | 1.2082 | 0.9752 | 0.8192 | 1.1081 |
| DOCOSAHEXAENOIC ACID | 0.8652 | 1.1711 | 0.7255 | 0.5363 | 0.8637 | 0.8904 | 1.2239 |
| DODECANOIC ACID | 0.8913 | 1.2427 | 0.8334 | 0.6728 | 0.8982 | 1.0088 | 1.1140 |
| Drug-like | 1.7719 | 1.0481 | 0.6846 | 0.0691 | 0.4037 | 0.4661 | 0.3284 |
| EDTA_minor_peak | 0.8779 | 0.9315 | 0.8443 | 0.7031 | 0.8489 | 0.5875 | 1.2985 |
| ERYTHRITOL | 0.8755 | 1.5453 | 1.4340 | 0.7549 | 1.6199 | 0.8926 | 0.7355 |
| Ethanolamine-like | 1.0203 | 0.9781 | 0.8961 | 0.9287 | 1.0192 | 0.8284 | 1.0309 |
| FRUCTOSE | 0.6634 | 0.6642 | 0.9811 | 0.9186 | 0.5440 | 0.8989 | 1.6204 |
| FUMARIC ACID | 0.8872 | 1.1548 | 1.1604 | 0.9819 | 0.9926 | 1.3144 | 0.9972 |
| GAMMA-TOCOPHEROL | 0.9674 | 0.9498 | 1.2314 | 0.9620 | 1.0044 | 0.9656 | 1.0022 |
| GLUCURONIC ACID | 1.1280 | 1.7775 | 1.3403 | 0.3876 | 1.6503 | 0.7979 | 0.4082 |
| GLUTAMIC ACID | 0.9178 | 1.2597 | 0.9095 | 1.3111 | 1.2480 | 1.0849 | 0.9496 |
| GLUTAMINE (3TMS) | 0.8738 | 1.1434 | 0.7638 | 0.8799 | 0.8180 | 0.8342 | 1.2164 |
| GLUTAMINE (4TMS) | 0.8578 | 1.6268 | 1.2091 | 0.7575 | 0.7899 | 1.0307 | 0.9388 |
| Glutamine [-H2O] (2TMS) BP | 0.8714 | 0.9950 | 0.9374 | 1.0011 | 0.9239 | 1.0175 | 1.1783 |
| GLUTARIC ACID | 0.9617 | 1.2996 | 0.9840 | 0.9596 | 0.9806 | 0.9632 | 0.9520 |
| GLYCERIC ACID | 0.7663 | 1.1904 | 0.8264 | 0.7746 | 1.0699 | 0.7432 | 1.2707 |
| GLYCINE | 0.9594 | 1.1513 | 0.9309 | 0.7686 | 0.9936 | 0.7649 | 1.0506 |
| GLYCOLIC ACID | 0.9937 | 1.0553 | 1.2201 | 1.0505 | 1.0280 | 1.3558 | 0.8802 |
| HEPTADECANOIC ACID | 0.9518 | 1.1164 | 0.9620 | 0.8888 | 0.9889 | 0.9446 | 1.0373 |
| HEXADECANOIC ACID | 0.9101 | 1.2106 | 0.9987 | 1.0134 | 0.9981 | 0.8901 | 1.0423 |
| HIPPURIC ACID (1TMS) | 1.1748 | 1.3279 | 0.7128 | 0.2184 | 0.9049 | 0.8043 | 0.8322 |
| HIPPURIC ACID (2TMS) | 1.2851 | 0.9859 | 1.3787 | 0.2700 | 1.0429 | 0.9420 | 0.6807 |
| HISTIDINE | 0.9783 | 1.1225 | 0.8247 | 0.6237 | 0.8526 | 0.9933 | 1.0725 |
| HydroxyButyric acid-nTMS | 1.0861 | 0.9937 | 1.4582 | 1.0720 | 1.6597 | 1.1064 | 0.6353 |
| Iminodiacetic acid (3TMS) | 1.0209 | 1.0780 | 1.1446 | 0.7956 | 1.0938 | 1.1173 | 0.8865 |
| Inositol-2-phosphate, myo- (7TMS) | 0.8562 | 0.8987 | 1.0685 | 0.9756 | 0.7998 | 0.9087 | 1.2376 |
| ISOLEUCINE | 0.9697 | 0.8907 | 0.6891 | 1.2906 | 1.2189 | 0.9330 | 1.1018 |
| ISOMALTOSE | 1.4401 | 1.0499 | 1.9572 | 0.3757 | 0.9961 | 1.1951 | 0.2081 |
| KYNURENINE | 1.2774 | 1.1336 | 0.8938 | 0.8160 | 1.5674 | 0.6134 | 0.5991 |
| LEUCINE | 0.9932 | 0.9789 | 0.8255 | 1.4093 | 1.1874 | 0.9527 | 1.0088 |
| LIDOCAINE | 0.5623 | 1.5411 | 2.7072 | 0.5611 | 2.9169 | 0.5632 | 0.5566 |
| L-Threonic acid | 1.2140 | 1.3128 | 1.5886 | 0.6417 | 1.3522 | 0.9634 | 0.4429 |
| LYSINE (3TMS) | 1.0076 | 0.8071 | 0.8200 | 0.3929 | 1.0187 | 0.3585 | 1.2063 |
| LYSINE (4TMS) | 0.9986 | 1.0622 | 0.8043 | 0.6444 | 0.9613 | 0.9408 | 1.0588 |
| MALIC ACID | 0.9159 | 2.1917 | 0.8247 | 0.6307 | 1.0710 | 0.6947 | 0.7569 |
| MALTOSE 1 | 2.2910 | 0.2720 | 0.3826 | 0.2025 | 0.2976 | 0.5968 | 0.1629 |
| MALTOSE 2 | 2.3003 | 0.1892 | 0.4380 | 0.1430 | 0.1757 | 0.5293 | 0.0892 |
| MANNITOL | 1.1541 | 0.9920 | 1.4622 | 2.1331 | 0.8685 | 1.1359 | 0.6078 |
| myo-INOSITOL | 1.3504 | 1.1732 | 1.0539 | 0.8933 | 0.6955 | 1.3846 | 0.5435 |
| NA | 1.3157 | 1.2881 | 0.9599 | 0.3974 | 1.0570 | 0.8523 | 0.1881 |
| NAPROXEN | 1.0412 | 0.9642 | 1.0015 | 0.9766 | 0.9980 | 0.9803 | 0.9689 |
| OCTADECADIENOIC ACID, 9,12-(Z,Z) | 0.9597 | 1.0525 | 0.9443 | 0.6531 | 0.9901 | 0.6765 | 1.0985 |
| OCTADECANOIC ACID | 0.9668 | 1.0703 | 0.9892 | 0.9144 | 0.9987 | 1.0252 | 1.0165 |
| OCTADECENOIC ACID, 9-(Z) | 0.9167 | 1.2318 | 0.9948 | 0.9825 | 1.0089 | 0.8259 | 1.0352 |
| ORNITHINE (3TMS) | 0.9294 | 0.9369 | 0.8463 | 0.6458 | 0.9255 | 0.6136 | 1.2202 |
| ORNITHINE (4TMS) | 1.0126 | 1.0989 | 0.9762 | 0.6953 | 1.1147 | 0.7528 | 0.9762 |
| PALMITOLEIC ACID | 0.7658 | 1.9370 | 1.0406 | 0.6494 | 0.8549 | 0.8613 | 0.9886 |
| PHENYLALANINE | 1.1042 | 1.1675 | 1.0626 | 0.9819 | 1.2789 | 0.9885 | 0.7497 |
| PIPECOLIC ACID | 1.0573 | 1.0892 | 2.2009 | 0.5714 | 1.0057 | 1.0774 | 0.6095 |
| PROLINE | 1.0741 | 0.9288 | 0.9636 | 0.7650 | 0.9039 | 1.1913 | 0.9553 |
| Pseudo uridine-like | 1.1015 | 1.1434 | 1.5192 | 0.5390 | 1.1807 | 1.0681 | 0.6762 |
| PYRUVIC ACID | 1.1309 | 1.0839 | 0.9813 | 0.4398 | 1.0230 | 0.9689 | 0.8474 |
| RIBITOL | 0.9693 | 1.3560 | 1.3348 | 0.8721 | 1.5416 | 1.1027 | 0.7051 |
| RIBOSE | 1.4705 | 0.9201 | 1.6523 | 0.4734 | 1.1917 | 0.8149 | 0.3313 |
| scyllo-INOSITOL | 1.3435 | 2.2502 | 0.4091 | 0.1760 | 0.3690 | 2.3423 | 0.3093 |
| SERINE | 0.9140 | 0.9576 | 0.7446 | 1.3031 | 0.9870 | 0.7787 | 1.1951 |
| SUCROSE | 0.8649 | 1.2796 | 0.6696 | 0.5028 | 1.8370 | 1.6715 | 0.9008 |
| TARTARIC ACID | 1.2135 | 1.6230 | 0.9439 | 0.5318 | 1.0790 | 0.9175 | 0.5621 |
| TAURINE | 1.6921 | 1.7898 | 0.2389 | 0.7057 | 0.3527 | 0.7658 | 0.3630 |
| THREONINE | 0.9846 | 0.9851 | 0.8081 | 0.7868 | 0.8458 | 0.8511 | 1.1305 |
| TRYPTOPHAN | 0.6496 | 1.1182 | 0.6472 | 1.2083 | 0.7837 | 0.7683 | 1.5132 |
| TYROSINE | 0.9417 | 1.3392 | 0.8710 | 0.6735 | 1.1565 | 0.9060 | 0.9716 |
| UREA | 1.1295 | 1.1232 | 1.5007 | 0.6509 | 1.2349 | 1.1275 | 0.6324 |
| URIC ACID | 0.7670 | 1.1810 | 1.1189 | 1.4291 | 1.2566 | 0.9446 | 1.1088 |
| VALINE | 0.9217 | 0.9565 | 0.8749 | 1.4014 | 1.2174 | 0.7901 | 1.1007 |
| XYLOSE | 0.8498 | 0.9671 | 0.9995 | 0.9038 | 1.1468 | 1.0073 | 1.1563 |
| XYLULOSE | 0.9207 | 1.3996 | 1.4901 | 1.3250 | 1.6227 | 1.4265 | 0.6302 |
Factors:
| F1 | Category:NSTI | Bacterial sp:Gr. A strep |
| F2 | Category:NSTI | Bacterial sp:Gr. G strep |
| F3 | Category:NSTI | Bacterial sp:Polymicrob. |
| F4 | Category:NSTI | Bacterial sp:S. anginous |
| F5 | Category:NSTI | Bacterial sp:S. aureus |
| F6 | Category:NSTI | Bacterial sp:Stap+Strep |
| F7 | Category:Surgery | Bacterial sp:None |
