Data for ST000583
| Metabolite structure | All data | F1 | F2 | F3 | F4 |
|---|---|---|---|---|---|
| 1,2-Benzisothiazolin-3-one | 120500.00 | 174750.00 | 129720.00 | 163445.00 | |
| ADENINE | 80409090.91 | 118700000.00 | 74365000.00 | 66710000.00 | |
| ADENOSINE | 1823636.36 | 4378000.00 | 3860500.00 | 2822450.00 | |
| ALANINE/SARCOSINE | 35050909.09 | 26752000.00 | 45880000.00 | 31272500.00 | |
| Allopurinol | 1677636.36 | 2788000.00 | 6476000.00 | 3964100.00 | |
| ALPHA-AMINOADIPATE/N-METHYL-L-GLUTAMATE_R1 | 4478272.73 | 3466500.00 | 7718500.00 | 5120000.00 | |
| ALPHA-AMINOADIPATE/N-METHYL-L-GLUTAMATE_R2 | 1969909.09 | 2002600.00 | 2703450.00 | 2084800.00 | |
| ANTHRANILATE/4-AMINOBENZOATE | 74381.82 | 65640.00 | 58070.00 | 66830.00 | |
| ASPARTATE | 104190909.09 | 84120000.00 | 112790000.00 | 68745000.00 | |
| BETAINE | 1270000000.00 | 1506700000.00 | 1837750000.00 | 1678100000.00 | |
| BOC-D-Phenylalanine | 67754545.45 | 67990000.00 | 67765000.00 | 67330000.00 | |
| BOC-L-Tyrosine | 83336363.64 | 86060000.00 | 86180000.00 | 85155000.00 | |
| BUTYROBETAINE | 252727272.73 | 261840000.00 | 334825000.00 | 283385000.00 | |
| Caffeine-D3 | 89363636.36 | 95360000.00 | 124175000.00 | 98605000.00 | |
| Camphor | 78772.73 | 76470.00 | 82120.00 | 79185.00 | |
| Choline | 166590909.09 | 240210000.00 | 351860000.00 | 263935000.00 | |
| CITRAMALATE | 177854.55 | 159700.00 | 239240.00 | 170480.00 | |
| CITRATE | 430100.00 | 194980.00 | 343145.00 | 308010.00 | |
| CITRULLINE | 399636363.64 | 415700000.00 | 479000000.00 | 466500000.00 | |
| CREATINE | 40375454.55 | 68750000.00 | 56975000.00 | 44590000.00 | |
| Creatine-D3 | 80818181.82 | 81240000.00 | 107685000.00 | 86550000.00 | |
| Cyclic-ADP Ribose | 29410.00 | 28371.43 | 61378.95 | 33942.11 | |
| CYTIDINE | 1538181.82 | 3831000.00 | 1940950.00 | 2779450.00 | |
| CYTOSINE | 8140000.00 | 8655000.00 | 9425000.00 | 10209000.00 | |
| DEOXYURIDINE | 125763.64 | 222022.22 | 368065.00 | 211050.00 | |
| Dibutyl phthalate | 1356363.64 | 1213800.00 | 1196800.00 | 1153700.00 | |
| Dicyclohexyl phthalate | 390700.00 | 216390.00 | 229430.00 | 135935.00 | |
| DIETHANOLAMINE | 2984000.00 | 1605700.00 | 1725450.00 | 1496350.00 | |
| DIHYDROXYACETONE PHOSPHATE | 2331181.82 | 1483100.00 | 2096350.00 | 1460950.00 | |
| Diphenylamine | 183381.82 | 147910.00 | 145700.00 | 132095.00 | |
| Dipropylene glycol | 1966363.64 | 1664000.00 | 1396450.00 | 1422000.00 | |
| Dipropyleneglycol dibenzoate | 165672.73 | 95430.00 | 95750.00 | 88280.00 | |
| DOPAMINE | 68690.00 | 25275.00 | 33115.00 | 40155.00 | |
| D-Ribose | 1245727.27 | 1193600.00 | 1629450.00 | 943350.00 | |
| Formyl-5-hydroxykynurenamine | 1723181.82 | 1402900.00 | 2132500.00 | 2829050.00 | |
| Formylkynurenine | 4540000.00 | 4161000.00 | 6229500.00 | 7206500.00 | |
| Garcinia lactone dibutyl ester | 53909.09 | 57380.00 | 68820.00 | 55685.00 | |
| Glutathione Disulfide | 143000.00 | 138940.00 | 211357.89 | 378105.26 | |
| GLYCEROL | 451818181.82 | 472900000.00 | 423300000.00 | 451650000.00 | |
| Glycerophosphocholine | 29570909.09 | 46323000.00 | 49970000.00 | 41182000.00 | |
| GLYCINE | 2711818.18 | 2075000.00 | 2288500.00 | 2053000.00 | |
| Glycyl-L-leucine_R1 | 1288727.27 | 1158800.00 | 2408150.00 | 1698650.00 | |
| Glycyl-L-leucine_R2 | 647281.82 | 534700.00 | 1064420.00 | 821980.00 | |
| GUANINE | 18929090.91 | 25148000.00 | 25621500.00 | 21766000.00 | |
| HEXOSE-6-PHOSPHATE | 3215636.36 | 2440600.00 | 3903800.00 | 1875700.00 | |
| HEXOSE-DISACCHARIDE | 1269363.64 | 1329100.00 | 1318050.00 | 936257.89 | |
| HISTAMINE | 924272.73 | 517300.00 | 879350.00 | 758460.00 | |
| HYPOXANTHINE | 47950000.00 | 48113000.00 | 123069500.00 | 83462500.00 | |
| Isobutyrylcarnitine | 103136.36 | 207740.00 | 188005.00 | 117845.00 | |
| Isocytosine | 1038000.00 | 2827800.00 | 1396473.68 | 1965300.00 | |
| Isovalerylcarnitine | 52445.45 | 59540.00 | 92935.00 | 54735.00 | |
| L-2-PHOSPHOGLYCERIC ACID | 1075000.00 | 895200.00 | 919550.00 | 1113800.00 | |
| L-CARNITINE | 80708181.82 | 113660000.00 | 148649000.00 | 120240000.00 | |
| Leu Pro_R1 | 2219909.09 | 2179000.00 | 3692250.00 | 2975845.00 | |
| Leu Pro_R2 | 1095363.64 | 1137200.00 | 1815420.00 | 1603050.00 | |
| L-GLUTAMINE | 27026363.64 | 31534000.00 | 30117000.00 | 27968500.00 | |
| L-Isoleucine | 34150909.09 | 34506000.00 | 58400000.00 | 45634500.00 | |
| L-(+)-Lactic Acid | 116381.82 | 125140.00 | 139890.00 | 107370.00 | |
| L-LEUCINE | 52598181.82 | 52905000.00 | 84530000.00 | 67576500.00 | |
| L-Leucine 13C6 | 117072727.27 | 122230000.00 | 145950000.00 | 123015000.00 | |
| L-Leucine-D10 | 59854545.45 | 64370000.00 | 80175000.00 | 66695000.00 | |
| L-METHIONINE | 1790709.09 | 1154344.44 | 7490631.58 | 8837647.06 | |
| L-Phenylalanine 13C6 | 118263636.36 | 126080000.00 | 153265000.00 | 128040000.00 | |
| L-PROLINE | 330227272.73 | 374750000.00 | 329400000.00 | 306410000.00 | |
| L-SERINE | 9080909.09 | 6011000.00 | 6809500.00 | 5979500.00 | |
| L-VALINE/5-AMINOPENTANOATE/L-NORVALINE | 281436363.64 | 257290000.00 | 479800000.00 | 344020000.00 | |
| LysoPC (16:0) | 196663.64 | 467000.00 | 166815.00 | 77332.50 | |
| LysoPC (18:0) | 54340.91 | 28469.00 | 56002.63 | 18171.67 | |
| LysoPC (18:1) | 96642.00 | 77284.00 | 136708.50 | 29495.26 | |
| LysoPC (18:2) | 52941.00 | 29448.89 | 73932.50 | 19975.79 | |
| LysoPE (18:0) | 181566.67 | 90692.22 | 162467.65 | 56248.57 | |
| Methionine Sulfoxide | 113890909.09 | 93925000.00 | 158180000.00 | 113106000.00 | |
| METHYL BETA-D-GALACTOSIDE | 342618.18 | 227830.00 | 771160.00 | 400020.00 | |
| METHYL JASMONATE | 133000.00 | 130360.00 | 115575.00 | 111140.00 | |
| Monobutyl phthalate | 428363.64 | 417600.00 | 399600.00 | 388850.00 | |
| N1-Methyl-2-pyridone-5-carboxamide | 24420.00 | 21337.50 | 31100.00 | 30761.11 | |
| N1-Methyl-4-pyridone-5-carboxamide | 58680.00 | 52055.56 | 78440.00 | 88268.42 | |
| N-Acetyl-Arginine | 695545.45 | 475900.00 | 1109650.00 | 646050.00 | |
| N-ACETYL-DL-GLUTAMIC ACID | 4714454.55 | 4527700.00 | 6652550.00 | 4323500.00 | |
| N-ACETYL-L-ASPARTIC ACID_R1 | 1638181.82 | 2888100.00 | 3165800.00 | 1508250.00 | |
| N-ACETYL-L-ASPARTIC ACID_R2 | 1614272.73 | 1174400.00 | 2014750.00 | 1369700.00 | |
| N-ACETYLNEURAMINATE | 2919090.91 | 3820000.00 | 4317000.00 | 4094000.00 | |
| N-ACETYLPUTRESCINE | 95490909.09 | 57750000.00 | 135150000.00 | 82891500.00 | |
| N-ALPHA-ACETYL-L-LYSINE | 5512727.27 | 7215000.00 | 10645500.00 | 12818000.00 | |
| N-BOC-L-Aspartic Acid | 92281818.18 | 97130000.00 | 122285000.00 | 98805000.00 | |
| N-BOC-L-tert-Leucine | 43127272.73 | 45200000.00 | 58065000.00 | 46160000.00 | |
| N-BOC-L-Tryptophan_R1 | 174363636.36 | 179800000.00 | 196300000.00 | 160210000.00 | |
| N-BOC-L-Tryptophan_R2 | 24281818.18 | 25883000.00 | 28710000.00 | 21816500.00 | |
| N-Butylbenzenesulfonamide | 156363.64 | 159200.00 | 158200.00 | 157650.00 | |
| NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINE | 1065509.09 | 756600.00 | 2348300.00 | 924395.00 | |
| N-METHYL-D-ASPARTIC ACID | 2167000000.00 | 2353000000.00 | 2695000000.00 | 2358500000.00 | |
| Norephedrine_R1 | 283181.82 | 233070.00 | 149725.00 | 69820.00 | |
| Norephedrine_R2 | 118181.82 | 161460.00 | 118250.00 | 123860.00 | |
| Norephedrine_R3 | 58845.45 | 58150.00 | 61715.00 | 107140.00 | |
| Orthophosphate | 308090909.09 | 255900000.00 | 274350000.00 | 260050000.00 | |
| Palmitoleic acid | 113545.45 | 103950.00 | 101500.00 | 98740.00 | |
| Pantothenic Acid | 3007272.73 | 3238400.00 | 6839300.00 | 3882750.00 | |
| PEG n5 | 3144545.45 | 2937000.00 | 3874000.00 | 4565500.00 | |
| PHENETHYLAMINE | 33422727.27 | 28631000.00 | 14283000.00 | 3365500.00 | |
| Phenylalanine | 50118181.82 | 51600000.00 | 75830000.00 | 60860000.00 | |
| PHOSPHOCHOLINE | 36915454.55 | 35693000.00 | 40999000.00 | 33743500.00 | |
| PHOSPHO(ENOL)PYRUVIC ACID | 756545.45 | 632200.00 | 682085.00 | 838950.00 | |
| PICOLINIC ACID | 69800000.00 | 93680000.00 | 134120000.00 | 89708500.00 | |
| PIPECOLATE/L-PIPECOLIC ACID | 6610363.64 | 3746800.00 | 4005000.00 | 3093450.00 | |
| Proprionylcarnitine_R1 | 593263.64 | 292344.44 | 1431850.00 | 387700.00 | |
| Proprionylcarnitine_R2 | 150181.82 | 245000.00 | 374695.00 | 205040.00 | |
| PYRIDOXAL | 909363.64 | 736100.00 | 1828750.00 | 1072050.00 | |
| SALICYLAMIDE | 21327.27 | 27340.00 | 33045.00 | 26290.00 | |
| Salsolinol | 85754.55 | 67930.00 | 88085.00 | 70135.00 | |
| SN-GLYCEROL 3-PHOSPHATE | 60581818.18 | 41150000.00 | 68825000.00 | 44485000.00 | |
| Sphingosine (d18:1) | 702345.45 | 217680.00 | 777020.00 | 158305.00 | |
| Stachydrine | 71346363.64 | 64075000.00 | 80635500.00 | 100021500.00 | |
| SUCCINATE | 1223881.82 | 1232800.00 | 1609450.00 | 1181150.00 | |
| Sulcatol_R1 | 434636.36 | 429900.00 | 412150.00 | 393650.00 | |
| Sulcatol_R2 | 66545.45 | 69420.00 | 72565.00 | 69250.00 | |
| Tetrahydrothiophene-1-oxide | 1440000.00 | 1474200.00 | 1894500.00 | 1546550.00 | |
| Texanol | 226454.55 | 224000.00 | 203950.00 | 201600.00 | |
| THREONINE/HOMOSERINE | 33452727.27 | 25330000.00 | 47030000.00 | 30791000.00 | |
| THYMINE | 2193545.45 | 1916100.00 | 4635750.00 | 2308200.00 | |
| TRANS-CINNAMATE | 456454.55 | 477800.00 | 478950.00 | 433450.00 | |
| Triethanolamine | 26442727.27 | 7787000.00 | 19485500.00 | 25853000.00 | |
| Triethyl phosphate | 5720909.09 | 5789000.00 | 5596000.00 | 5619500.00 | |
| Tryptophan | 13669090.91 | 13628000.00 | 16792500.00 | 15673500.00 | |
| Tryptophan-2,3,3-D3 | 269636363.64 | 267800000.00 | 285150000.00 | 285800000.00 | |
| URACIL | 18691818.18 | 19512000.00 | 33739000.00 | 22831500.00 | |
| URATE | 5347181.82 | 4312000.00 | 4984500.00 | 7065750.00 | |
| UROCANATE | 7583636.36 | 12879000.00 | 9679500.00 | 9185000.00 |
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 |
