Data for The Metabolomics of Oral Biofilms exposed to Arginine and Fluoride (Study ST000583)
(Analysis AN000895)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 |
|---|---|---|---|---|
| 1,2-Benzisothiazolin-3-one | 0.8341 | 1.1842 | 0.8450 | 1.1541 |
| ADENINE | 1.0161 | 1.4299 | 0.9293 | 0.8469 |
| ADP | 0.9338 | 0.9513 | 1.0120 | 1.0487 |
| ALLANTOIN | 1.0430 | 0.8051 | 0.8749 | 1.1989 |
| ALPHA-KETOGLUTARIC ACID | 0.2954 | 0.5981 | 0.9395 | 1.6490 |
| ALPHA-KETOGLUTARIC ACID+2H | 0.7938 | 0.5525 | 1.4547 | 0.8825 |
| ANTHRANILATE | 1.2267 | 1.0282 | 0.8203 | 1.0409 |
| Arachidonic Acid (20:4) | 1.2206 | 0.7412 | 1.6895 | 0.2934 |
| ASPARTATE | 0.6750 | 1.1645 | 1.1740 | 0.9225 |
| BOC-L-Tyrosine_R1 | 1.0002 | 1.0167 | 0.9957 | 0.9959 |
| BOC-L-Tyrosine_R2 | 0.9882 | 1.0175 | 0.9992 | 0.9985 |
| C5-SUGAR ALCOHOL | 1.0337 | 0.9028 | 1.0054 | 1.0247 |
| C6H12O6-HEXOSE/KETOSE/INOSITOL_R1 | 0.9406 | 0.7052 | 1.3289 | 0.8511 |
| C6H12O6-HEXOSE/KETOSE/INOSITOL_R2 | 1.1189 | 0.6173 | 1.2039 | 0.9220 |
| Caffeic Acid | 0.8966 | 0.8811 | 1.1696 | 0.9466 |
| CITRAMALATE | 0.9548 | 0.8099 | 1.2488 | 0.8711 |
| CITRATE | 1.2853 | 0.5767 | 1.1043 | 0.9505 |
| CITRIC ACID-13C6 | 0.9436 | 0.9995 | 1.0964 | 0.9348 |
| CITRULLINE | 0.9212 | 0.8472 | 1.0831 | 1.0366 |
| CMP | 0.7839 | 0.9302 | 1.0715 | 1.0823 |
| CREATINE | 0.7099 | 1.3320 | 1.0090 | 0.9846 |
| Creatine-D3 | 0.9634 | 0.9581 | 1.0327 | 1.0084 |
| Cyclic ADP-ribose | 0.7316 | 0.6264 | 1.5081 | 0.8517 |
| CYTIDINE | 0.5622 | 1.7172 | 0.7301 | 1.1521 |
| DEOXYURIDINE | 0.5555 | 0.9234 | 1.3994 | 0.8834 |
| D-GLUCURONIC ACID/D-GLUCURONOLACTONE/D-(+)-GALACTURONIC ACID | 0.9118 | 0.9564 | 1.0785 | 0.9917 |
| DIHYDROXYACETONE PHOSPHATE | 1.1404 | 0.8260 | 1.1425 | 0.8673 |
| Dinoterb (herbicide) | 1.0810 | 0.9665 | 1.0032 | 0.9689 |
| DISACCHARIDE (6C/6C)/2-alpha-D-glucosyl-D-glucose | 0.7054 | 1.2585 | 0.8827 | 1.1501 |
| D-RIBOSE 5-PHOSPHATE/RIBULOSE 5-PHOSPHATE | 1.0950 | 0.7402 | 1.2264 | 0.8513 |
| ETHYLMALONIC ACID | 0.8703 | 0.9364 | 1.2714 | 0.8317 |
| Fumaric Acid_R1 | 1.4240 | 1.0080 | 0.9660 | 0.7968 |
| Fumaric Acid_R2 | 1.5956 | 0.9072 | 1.0197 | 0.6991 |
| GLUCONIC ACID/D-GULONIC ACID GAMA-LACTONE | 1.0395 | 0.9262 | 1.1771 | 0.8381 |
| GLUCOSE/FRUCTOSE | 0.8323 | 1.1067 | 1.0656 | 0.9732 |
| GLUTARATE | 0.7307 | 0.7966 | 1.3970 | 0.8528 |
| GLYCERIC ACID | 0.9442 | 0.7675 | 1.3077 | 0.8392 |
| GLYCEROL 2-PHOSPHATE/SN-GLYCEROL 3-PHOSPHATE | 1.0712 | 0.7427 | 1.3126 | 0.7769 |
| GLYCOLATE | 1.0033 | 0.7623 | 1.2433 | 0.8738 |
| GLYOXYLIC ACID | 0.9993 | 0.9628 | 1.1022 | 0.9168 |
| GUANINE | 0.8539 | 1.1139 | 1.0919 | 0.9316 |
| Guanosine | 0.5758 | 1.1241 | 1.2059 | 0.9654 |
| HIPPURATE | 1.2129 | 0.9121 | 1.0809 | 0.8459 |
| HYPOXANTHINE | 0.7265 | 0.7358 | 1.2709 | 1.0116 |
| ISOCITRIC ACID | 0.7031 | 0.5544 | 1.0903 | 1.2958 |
| L-2-PHOSPHOGLYCERIC ACID | 1.1048 | 0.6263 | 1.0331 | 1.0961 |
| LACTATE | 1.1366 | 0.9084 | 1.1165 | 0.8542 |
| LACTATE-dimer | 1.2785 | 0.9751 | 1.0536 | 0.8056 |
| L-CARNITINE | 1.0354 | 0.8821 | 1.2369 | 0.8025 |
| Leucine-D10 | 0.9136 | 0.9518 | 1.1326 | 0.9390 |
| L-GLUTAMIC ACID | 1.0603 | 0.7560 | 1.2550 | 0.8339 |
| L-GLUTAMINE_R1 | 0.8472 | 0.6151 | 1.4435 | 0.8330 |
| L-GLUTAMINE_R2 | 0.7003 | 1.1028 | 1.2619 | 0.8515 |
| Linoleic Acid (18:2) | 1.1683 | 0.6886 | 1.6407 | 0.4224 |
| L-ISOLEUCINE_R1 | 0.8047 | 0.8326 | 1.2187 | 0.9724 |
| L-ISOLEUCINE_R2 | 0.7824 | 0.6832 | 1.2551 | 1.0230 |
| LL-2,6-DIAMINOHEPTANEDIOATE | 0.6873 | 0.5370 | 1.4944 | 0.9090 |
| L-Leucine-13C6 | 0.8812 | 0.9658 | 1.1478 | 0.9346 |
| L-METHIONINE | 0.3817 | 0.2909 | 1.3117 | 1.2967 |
| L-Phenylalanine-13C6 | 0.9085 | 0.9519 | 1.1064 | 0.9680 |
| L-SERINE_R1 | 0.8655 | 1.0800 | 1.2823 | 0.7516 |
| L-SERINE_R2 | 0.9713 | 0.9906 | 0.9631 | 1.0573 |
| L-TYROSINE | 0.8676 | 0.9941 | 1.0900 | 0.9858 |
| L-Tyrosine-13C6_R1 | 0.9067 | 0.9304 | 1.1241 | 0.9620 |
| L-Tyrosine-13C6_R2 | 0.7730 | 1.0153 | 1.2517 | 0.8541 |
| L-VALINE | 0.7687 | 0.6548 | 1.3035 | 0.9963 |
| LysoPC (18:1) | 1.0881 | 0.9773 | 1.7414 | 0.2586 |
| LysoPE (16:0) | 0.8009 | 0.7435 | 1.9771 | 0.2606 |
| LysoPE (18:0) | 0.9836 | 0.8290 | 1.6903 | 0.2663 |
| LysoPE (18:1) | 1.0417 | 0.6321 | 1.9132 | 0.2478 |
| LysoPE (20:4) | 1.2836 | 0.5749 | 1.8061 | 0.2505 |
| MALATE | 1.1019 | 0.9521 | 1.0984 | 0.8696 |
| MALONATE | 1.1885 | 0.9776 | 1.0456 | 0.8619 |
| Mannitol | 0.9819 | 0.9437 | 1.0239 | 1.0142 |
| Mono-(2-Ethylhexyl) Phthalate | 1.0201 | 1.0198 | 1.0044 | 0.9746 |
| Mono-(2-Ethylhexyl) Phthalate Dimer | 0.8302 | 2.0987 | 1.2766 | 0.2674 |
| Monobutyl phthalate | 0.8901 | 0.9269 | 1.1581 | 0.9389 |
| N-ACETYL-DL-GLUTAMIC ACID_R1 | 0.9179 | 0.8776 | 1.2903 | 0.8161 |
| N-ACETYL-DL-GLUTAMIC ACID_R2 | 0.3219 | 0.4378 | 1.2003 | 1.4538 |
| N-ACETYLGLYCINE | 1.3416 | 0.6285 | 1.2428 | 0.7551 |
| N-ACETYL-HEXOSAMINE | 0.9534 | 0.9420 | 1.3418 | 0.7128 |
| N-ACETYL-L-ALANINE | 1.2866 | 0.5032 | 1.3903 | 0.7005 |
| N-ACETYL-L-ASPARTIC ACID_R1 | 0.7093 | 1.3138 | 1.4599 | 0.5431 |
| N-ACETYL-L-ASPARTIC ACID_R2 | 1.0564 | 0.7607 | 1.3132 | 0.7754 |
| N-ACETYL-L-LEUCINE | 0.9624 | 0.8555 | 1.0097 | 1.0832 |
| N-ACETYLNEURAMINATE | 0.7164 | 0.7987 | 1.3045 | 0.9521 |
| NALPHA-ACETYL-L-LYSINE | 0.5771 | 0.6233 | 1.1029 | 1.3180 |
| N-BOC-L-Aspartic Acid_R1 | 0.8942 | 0.9388 | 1.1399 | 0.9489 |
| N-BOC-L-Aspartic Acid_R2 | 0.9013 | 0.9362 | 1.1348 | 0.9514 |
| N-BOC-L-tert-Leucine_R1 | 0.8923 | 0.9368 | 1.1469 | 0.9440 |
| N-BOC-L-tert-Leucine_R2 | 0.8831 | 0.9437 | 1.1533 | 0.9392 |
| N-BOC-L-Tryptophan_R1 | 0.9855 | 1.0125 | 1.0729 | 0.9288 |
| N-BOC-L-Tryptophan_R2 | 0.9899 | 1.0086 | 1.0714 | 0.9299 |
| N-FORMYLGLYCINE | 0.7803 | 1.2464 | 1.2825 | 0.7152 |
| Nicotinamide ribotide | 0.1236 | 0.9187 | 0.9993 | 1.5943 |
| NICOTINATE | 0.8004 | 0.9415 | 1.2606 | 0.8784 |
| N-METHYL-L-GLUTAMATE_R1 | 0.9499 | 0.7447 | 1.4924 | 0.6628 |
| N-METHYL-L-GLUTAMATE_R2 | 1.1255 | 0.9847 | 1.1611 | 0.7775 |
| Pantetheine | 0.6005 | 0.3575 | 1.3946 | 1.1464 |
| P-Cresol Sulfate | 1.0623 | 0.8561 | 0.9719 | 1.0658 |
| Propionic Acid-13C3 | 0.8810 | 0.9754 | 1.0475 | 1.0303 |
| PYRIDOXAL | 0.7461 | 0.6594 | 1.4966 | 0.8134 |
| QUINATE | 0.9718 | 1.0023 | 1.2298 | 0.7846 |
| Salicylic Acid-D4 | 0.8994 | 0.9260 | 1.1330 | 0.9593 |
| SARCOSINE/BETA-ALANINE | 0.6791 | 1.1252 | 1.1718 | 0.9421 |
| SHIKIMATE | 0.8580 | 0.8709 | 1.0367 | 1.1060 |
| STACHYOSE | 1.1599 | 0.9219 | 1.2516 | 0.6996 |
| SUCCINATE_R1 | 0.9493 | 0.9416 | 1.1649 | 0.8922 |
| SUCCINATE_R2 | 0.6488 | 0.8124 | 1.2836 | 1.0034 |
| SUCCINIC ACID-13C4 | 0.8949 | 0.9555 | 1.0656 | 1.0144 |
| Sulfoacetaldehyde | 1.0742 | 1.0147 | 1.1105 | 0.8413 |
| TARTARIC ACID | 0.7078 | 1.4991 | 0.7974 | 1.1138 |
| TAURINE | 0.8361 | 0.6639 | 1.3106 | 0.9475 |
| THREONINE/HOMOSERINE | 0.9570 | 0.6142 | 1.4042 | 0.8124 |
| THYMINE | 0.7931 | 0.7025 | 1.4564 | 0.8061 |
| Tryptophan | 0.9258 | 0.8917 | 1.0632 | 1.0318 |
| Tryptophan-2,3,3-D3 | 0.9822 | 0.9449 | 1.0029 | 1.0344 |
| URACIL | 0.7947 | 0.8392 | 1.2726 | 0.9207 |
| URATE | 1.0098 | 0.8196 | 0.9610 | 1.1238 |
| URIDINE | 0.5582 | 1.1129 | 1.1950 | 0.9916 |
| UROCANATE | 0.8920 | 1.2330 | 0.9372 | 1.0057 |
| XANTHINE | 0.6561 | 0.7665 | 1.2932 | 1.0127 |
| Xylenesulfonate | 1.0674 | 2.3783 | 0.4861 | 0.7876 |
Factors:
| F1 | caries status:caries-active | time:12-weeks |
| F2 | caries status:caries-active | time:baseline |
| F3 | caries status:caries-free | time:12-weeks |
| F4 | caries status:caries-free | time:baseline |
