Data for The Metabolomics of Oral Biofilms exposed to Arginine and Fluoride (Study ST000583)
(Analysis AN000894)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 |
---|---|---|---|---|
1,2-Benzisothiazolin-3-one | 0.8225 | 1.1929 | 0.8855 | 1.1157 |
ADENINE | 1.0024 | 1.4798 | 0.9271 | 0.8317 |
ADENOSINE | 0.5633 | 1.3522 | 1.1924 | 0.8717 |
ALANINE/SARCOSINE | 0.9736 | 0.7431 | 1.2744 | 0.8686 |
Allopurinol | 0.4011 | 0.6666 | 1.5483 | 0.9478 |
ALPHA-AMINOADIPATE/N-METHYL-L-GLUTAMATE_R1 | 0.8018 | 0.6207 | 1.3820 | 0.9167 |
ALPHA-AMINOADIPATE/N-METHYL-L-GLUTAMATE_R2 | 0.8742 | 0.8887 | 1.1997 | 0.9252 |
ANTHRANILATE/4-AMINOBENZOATE | 1.1421 | 1.0079 | 0.8917 | 1.0262 |
ASPARTATE | 1.1313 | 0.9134 | 1.2247 | 0.7464 |
BETAINE | 0.7797 | 0.9251 | 1.1283 | 1.0303 |
BOC-D-Phenylalanine | 1.0014 | 1.0049 | 1.0016 | 0.9952 |
BOC-L-Tyrosine | 0.9768 | 1.0088 | 1.0102 | 0.9982 |
BUTYROBETAINE | 0.8679 | 0.8992 | 1.1498 | 0.9732 |
Caffeine-D3 | 0.8528 | 0.9100 | 1.1850 | 0.9410 |
Camphor | 0.9893 | 0.9603 | 1.0313 | 0.9944 |
Choline | 0.6140 | 0.8853 | 1.2968 | 0.9728 |
CITRAMALATE | 0.9235 | 0.8292 | 1.2422 | 0.8852 |
CITRATE | 1.3315 | 0.6036 | 1.0623 | 0.9535 |
CITRULLINE | 0.8877 | 0.9233 | 1.0639 | 1.0362 |
CREATINE | 0.7787 | 1.3259 | 1.0988 | 0.8600 |
Creatine-D3 | 0.8825 | 0.8871 | 1.1759 | 0.9451 |
Cyclic-ADP Ribose | 0.7021 | 0.6773 | 1.4653 | 0.8103 |
CYTIDINE | 0.6270 | 1.5617 | 0.7912 | 1.1330 |
CYTOSINE | 0.8730 | 0.9282 | 1.0108 | 1.0949 |
DEOXYURIDINE | 0.5043 | 0.8902 | 1.4758 | 0.8462 |
Dibutyl phthalate | 1.1171 | 0.9996 | 0.9856 | 0.9501 |
Dicyclohexyl phthalate | 1.7309 | 0.9587 | 1.0164 | 0.6022 |
DIETHANOLAMINE | 1.6063 | 0.8644 | 0.9288 | 0.8055 |
DIHYDROXYACETONE PHOSPHATE | 1.2740 | 0.8105 | 1.1456 | 0.7984 |
Diphenylamine | 1.2358 | 0.9967 | 0.9818 | 0.8901 |
Dipropylene glycol | 1.2674 | 1.0725 | 0.9001 | 0.9166 |
Dipropyleneglycol dibenzoate | 1.5651 | 0.9015 | 0.9045 | 0.8340 |
DOPAMINE | 1.6921 | 0.6226 | 0.8157 | 0.9892 |
D-Ribose | 0.9857 | 0.9444 | 1.2893 | 0.7464 |
Formyl-5-hydroxykynurenamine | 0.7950 | 0.6473 | 0.9839 | 1.3052 |
Formylkynurenine | 0.7687 | 0.7045 | 1.0548 | 1.2202 |
Garcinia lactone dibutyl ester | 0.8992 | 0.9571 | 1.1480 | 0.9289 |
Glutathione Disulfide | 0.5916 | 0.5748 | 0.8744 | 1.5643 |
GLYCEROL | 1.0133 | 1.0606 | 0.9494 | 1.0130 |
Glycerophosphocholine | 0.6907 | 1.0820 | 1.1672 | 0.9619 |
GLYCINE | 1.2038 | 0.9211 | 1.0159 | 0.9114 |
Glycyl-L-leucine_R1 | 0.7286 | 0.6551 | 1.3614 | 0.9603 |
Glycyl-L-leucine_R2 | 0.7866 | 0.6498 | 1.2935 | 0.9989 |
GUANINE | 0.8204 | 1.0899 | 1.1105 | 0.9434 |
HEXOSE-6-PHOSPHATE | 1.1185 | 0.8489 | 1.3579 | 0.6524 |
HEXOSE-DISACCHARIDE | 1.0666 | 1.1168 | 1.1075 | 0.7867 |
HISTAMINE | 1.1722 | 0.6561 | 1.1153 | 0.9619 |
HYPOXANTHINE | 0.5691 | 0.5711 | 1.4608 | 0.9907 |
Isobutyrylcarnitine | 0.6744 | 1.3584 | 1.2293 | 0.7706 |
Isocytosine | 0.5901 | 1.6077 | 0.7939 | 1.1173 |
Isovalerylcarnitine | 0.7754 | 0.8803 | 1.3741 | 0.8093 |
L-2-PHOSPHOGLYCERIC ACID | 1.0672 | 0.8887 | 0.9129 | 1.1058 |
L-CARNITINE | 0.6651 | 0.9367 | 1.2250 | 0.9909 |
Leu Pro_R1 | 0.7541 | 0.7402 | 1.2543 | 1.0109 |
Leu Pro_R2 | 0.7279 | 0.7557 | 1.2065 | 1.0653 |
L-GLUTAMINE | 0.9291 | 1.0841 | 1.0354 | 0.9615 |
L-Isoleucine | 0.7436 | 0.7514 | 1.2716 | 0.9937 |
L-(+)-Lactic Acid | 0.9495 | 1.0210 | 1.1413 | 0.8760 |
L-LEUCINE | 0.7732 | 0.7777 | 1.2426 | 0.9934 |
L-Leucine 13C6 | 0.9052 | 0.9451 | 1.1285 | 0.9511 |
L-Leucine-D10 | 0.8612 | 0.9262 | 1.1536 | 0.9596 |
L-METHIONINE | 0.3108 | 0.2004 | 1.3001 | 1.5339 |
L-Phenylalanine 13C6 | 0.8811 | 0.9393 | 1.1418 | 0.9539 |
L-PROLINE | 1.0024 | 1.1375 | 0.9999 | 0.9301 |
L-SERINE | 1.3323 | 0.8819 | 0.9990 | 0.8773 |
L-VALINE/5-AMINOPENTANOATE/L-NORVALINE | 0.7752 | 0.7087 | 1.3216 | 0.9476 |
LysoPC (16:0) | 1.0239 | 2.4314 | 0.8685 | 0.4026 |
LysoPC (18:0) | 1.3863 | 0.7263 | 1.4287 | 0.4636 |
LysoPC (18:1) | 1.1327 | 0.9058 | 1.6023 | 0.3457 |
LysoPC (18:2) | 1.1576 | 0.6439 | 1.6165 | 0.4368 |
LysoPE (18:0) | 1.4829 | 0.7407 | 1.3269 | 0.4594 |
Methionine Sulfoxide | 0.9120 | 0.7521 | 1.2666 | 0.9057 |
METHYL BETA-D-GALACTOSIDE | 0.7092 | 0.4716 | 1.5962 | 0.8280 |
METHYL JASMONATE | 1.1112 | 1.0892 | 0.9656 | 0.9286 |
Monobutyl phthalate | 1.0597 | 1.0331 | 0.9886 | 0.9620 |
N1-Methyl-2-pyridone-5-carboxamide | 0.8628 | 0.7539 | 1.0988 | 1.0868 |
N1-Methyl-4-pyridone-5-carboxamide | 0.7913 | 0.7019 | 1.0577 | 1.1903 |
N-Acetyl-Arginine | 0.8928 | 0.6108 | 1.4243 | 0.8292 |
N-ACETYL-DL-GLUTAMIC ACID | 0.9082 | 0.8722 | 1.2815 | 0.8329 |
N-ACETYL-L-ASPARTIC ACID_R1 | 0.7118 | 1.2550 | 1.3756 | 0.6554 |
N-ACETYL-L-ASPARTIC ACID_R2 | 1.0132 | 0.7371 | 1.2645 | 0.8597 |
N-ACETYLNEURAMINATE | 0.7465 | 0.9769 | 1.1040 | 1.0470 |
N-ACETYLPUTRESCINE | 0.9727 | 0.5882 | 1.3766 | 0.8443 |
N-ALPHA-ACETYL-L-LYSINE | 0.5585 | 0.7310 | 1.0786 | 1.2987 |
N-BOC-L-Aspartic Acid | 0.8784 | 0.9246 | 1.1640 | 0.9405 |
N-BOC-L-tert-Leucine | 0.8737 | 0.9157 | 1.1764 | 0.9352 |
N-BOC-L-Tryptophan_R1 | 0.9806 | 1.0112 | 1.1040 | 0.9010 |
N-BOC-L-Tryptophan_R2 | 0.9640 | 1.0276 | 1.1398 | 0.8662 |
N-Butylbenzenesulfonamide | 0.9906 | 1.0085 | 1.0022 | 0.9987 |
NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINE | 0.7670 | 0.5446 | 1.6904 | 0.6654 |
N-METHYL-D-ASPARTIC ACID | 0.8905 | 0.9670 | 1.1075 | 0.9692 |
Norephedrine_R1 | 1.7561 | 1.4453 | 0.9285 | 0.4330 |
Norephedrine_R2 | 0.9294 | 1.2697 | 0.9299 | 0.9740 |
Norephedrine_R3 | 0.7793 | 0.7701 | 0.8173 | 1.4189 |
Orthophosphate | 1.1297 | 0.9383 | 1.0060 | 0.9535 |
Palmitoleic acid | 1.1006 | 1.0076 | 0.9838 | 0.9571 |
Pantothenic Acid | 0.6554 | 0.7057 | 1.4905 | 0.8462 |
PEG n5 | 0.8241 | 0.7697 | 1.0153 | 1.1965 |
PHENETHYLAMINE | 2.0248 | 1.7345 | 0.8653 | 0.2039 |
Phenylalanine | 0.8043 | 0.8281 | 1.2169 | 0.9767 |
PHOSPHOCHOLINE | 0.9973 | 0.9643 | 1.1077 | 0.9116 |
PHOSPHO(ENOL)PYRUVIC ACID | 1.0241 | 0.8558 | 0.9233 | 1.1356 |
PICOLINIC ACID | 0.6888 | 0.9245 | 1.3236 | 0.8853 |
PIPECOLATE/L-PIPECOLIC ACID | 1.5992 | 0.9064 | 0.9689 | 0.7484 |
Proprionylcarnitine_R1 | 0.7815 | 0.3851 | 1.8862 | 0.5107 |
Proprionylcarnitine_R2 | 0.5836 | 0.9521 | 1.4561 | 0.7968 |
PYRIDOXAL | 0.7359 | 0.5957 | 1.4799 | 0.8675 |
SALICYLAMIDE | 0.7677 | 0.9841 | 1.1894 | 0.9463 |
Salsolinol | 1.0928 | 0.8656 | 1.1225 | 0.8937 |
SN-GLYCEROL 3-PHOSPHATE | 1.1051 | 0.7506 | 1.2554 | 0.8115 |
Sphingosine (d18:1) | 1.4975 | 0.4641 | 1.6568 | 0.3375 |
Stachydrine | 0.8637 | 0.7757 | 0.9762 | 1.2109 |
SUCCINATE | 0.9149 | 0.9215 | 1.2031 | 0.8829 |
Sulcatol_R1 | 1.0523 | 1.0408 | 0.9978 | 0.9530 |
Sulcatol_R2 | 0.9523 | 0.9935 | 1.0385 | 0.9910 |
Tetrahydrothiophene-1-oxide | 0.8837 | 0.9047 | 1.1626 | 0.9491 |
Texanol | 1.0757 | 1.0640 | 0.9688 | 0.9576 |
THREONINE/HOMOSERINE | 0.9371 | 0.7095 | 1.3174 | 0.8625 |
THYMINE | 0.7345 | 0.6416 | 1.5523 | 0.7729 |
TRANS-CINNAMATE | 0.9928 | 1.0392 | 1.0417 | 0.9427 |
Triethanolamine | 1.2646 | 0.3724 | 0.9319 | 1.2364 |
Triethyl phosphate | 1.0111 | 1.0232 | 0.9891 | 0.9932 |
Tryptophan | 0.8909 | 0.8882 | 1.0944 | 1.0215 |
Tryptophan-2,3,3-D3 | 0.9639 | 0.9574 | 1.0194 | 1.0217 |
URACIL | 0.7442 | 0.7768 | 1.3433 | 0.9090 |
URATE | 0.9511 | 0.7670 | 0.8866 | 1.2568 |
UROCANATE | 0.7847 | 1.3327 | 1.0016 | 0.9504 |
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 |