Data for ST000583
| Metabolite structure | All data | F1 | F2 | F3 | F4 |
|---|---|---|---|---|---|
| 1,2-Benzisothiazolin-3-one | 57118.18 | 81090.00 | 57865.00 | 79030.00 | |
| ADENINE | 24650000.00 | 34690000.00 | 22543500.00 | 20546000.00 | |
| ADP | 56772.73 | 57840.00 | 61530.00 | 63760.50 | |
| ALLANTOIN | 973545.45 | 751500.00 | 816700.00 | 1119080.00 | |
| ALPHA-KETOGLUTARIC ACID | 875272.73 | 1772300.00 | 2783850.00 | 4886100.00 | |
| ALPHA-KETOGLUTARIC ACID+2H | 1248727.27 | 869100.00 | 2288300.00 | 1388200.00 | |
| ANTHRANILATE | 304200.00 | 254970.00 | 203430.00 | 258140.00 | |
| Arachidonic Acid (20:4) | 223260.00 | 135571.00 | 309022.63 | 53657.78 | |
| ASPARTATE | 23127272.73 | 39901000.00 | 40225000.00 | 31608500.00 | |
| BOC-L-Tyrosine_R1 | 103254545.45 | 104960000.00 | 102795000.00 | 102810000.00 | |
| BOC-L-Tyrosine_R2 | 94063636.36 | 96850000.00 | 95105000.00 | 95045000.00 | |
| C5-SUGAR ALCOHOL | 382636.36 | 334200.00 | 372150.00 | 379300.00 | |
| C6H12O6-HEXOSE/KETOSE/INOSITOL_R1 | 7595454.55 | 5695000.00 | 10731500.00 | 6873000.00 | |
| C6H12O6-HEXOSE/KETOSE/INOSITOL_R2 | 2512090.91 | 1386000.00 | 2702900.00 | 2070050.00 | |
| Caffeic Acid | 185172.73 | 181970.00 | 241550.00 | 195495.00 | |
| CITRAMALATE | 6325454.55 | 5365000.00 | 8272500.00 | 5771000.00 | |
| CITRATE | 5192272.73 | 2329900.00 | 4461150.00 | 3839700.00 | |
| CITRIC ACID-13C6 | 281000000.00 | 297630000.00 | 326500000.00 | 278365000.00 | |
| CITRULLINE | 21865454.55 | 20110000.00 | 25710000.00 | 24605000.00 | |
| CMP | 444000.00 | 526900.00 | 606900.00 | 613050.00 | |
| CREATINE | 1289636.36 | 2419900.00 | 1833000.00 | 1788700.00 | |
| Creatine-D3 | 3551818.18 | 3532000.00 | 3807000.00 | 3717650.00 | |
| Cyclic ADP-ribose | 42181.82 | 36113.00 | 86952.63 | 49105.00 | |
| CYTIDINE | 270372.73 | 825800.00 | 351095.00 | 554040.00 | |
| DEOXYURIDINE | 221781.82 | 368680.00 | 558725.00 | 352715.00 | |
| D-GLUCURONIC ACID/D-GLUCURONOLACTONE/D-(+)-GALACTURONIC ACID | 2583636.36 | 2710000.00 | 3056000.00 | 2810000.00 | |
| DIHYDROXYACETONE PHOSPHATE | 17866363.64 | 12940000.00 | 17898000.00 | 13587000.00 | |
| Dinoterb (herbicide) | 378272.73 | 338200.00 | 351050.00 | 339050.00 | |
| DISACCHARIDE (6C/6C)/2-alpha-D-glucosyl-D-glucose | 4481090.91 | 7995000.00 | 5607650.00 | 7305900.00 | |
| D-RIBOSE 5-PHOSPHATE/RIBULOSE 5-PHOSPHATE | 29618181.82 | 20020000.00 | 33171000.00 | 23026500.00 | |
| ETHYLMALONIC ACID | 1458727.27 | 1569400.00 | 2131000.00 | 1394000.00 | |
| Fumaric Acid_R1 | 6152545.45 | 4355100.00 | 4174000.00 | 3442750.00 | |
| Fumaric Acid_R2 | 6040727.27 | 3434700.00 | 3860300.00 | 2646800.00 | |
| GLUCONIC ACID/D-GULONIC ACID GAMA-LACTONE | 12880000.00 | 11477000.00 | 14586000.00 | 10384500.00 | |
| GLUCOSE/FRUCTOSE | 4197272.73 | 5581000.00 | 5374000.00 | 4908000.00 | |
| GLUTARATE | 647272.73 | 705600.00 | 1237400.00 | 755400.00 | |
| GLYCERIC ACID | 159818181.82 | 129910000.00 | 221345000.00 | 142045000.00 | |
| GLYCEROL 2-PHOSPHATE/SN-GLYCEROL 3-PHOSPHATE | 248245454.55 | 172130000.00 | 304200000.00 | 180045000.00 | |
| GLYCOLATE | 17466363.64 | 13271000.00 | 21645000.00 | 15212000.00 | |
| GLYOXYLIC ACID | 1545454.55 | 1489000.00 | 1704500.00 | 1417800.00 | |
| GUANINE | 4078181.82 | 5320000.00 | 5214950.00 | 4449500.00 | |
| Guanosine | 1034181.82 | 2019100.00 | 2166150.00 | 1734000.00 | |
| HIPPURATE | 25863.64 | 19450.00 | 23050.00 | 18039.00 | |
| HYPOXANTHINE | 23372727.27 | 23670000.00 | 40885000.00 | 32545000.00 | |
| ISOCITRIC ACID | 667000.00 | 525900.00 | 1034300.00 | 1229200.00 | |
| L-2-PHOSPHOGLYCERIC ACID | 48050909.09 | 27240000.00 | 44932500.00 | 47670000.00 | |
| LACTATE | 85345454.55 | 68210000.00 | 83830000.00 | 64135000.00 | |
| LACTATE-dimer | 3507272.73 | 2675000.00 | 2890300.00 | 2210010.00 | |
| L-CARNITINE | 520000.00 | 443000.00 | 621200.00 | 403050.00 | |
| Leucine-D10 | 90800.00 | 94590.00 | 112565.00 | 93325.00 | |
| L-GLUTAMIC ACID | 824272727.27 | 587700000.00 | 975600000.00 | 648250000.00 | |
| L-GLUTAMINE_R1 | 6564545.45 | 4766000.00 | 11185000.00 | 6454500.00 | |
| L-GLUTAMINE_R2 | 488590.91 | 769400.00 | 880350.00 | 594050.00 | |
| Linoleic Acid (18:2) | 56918.18 | 33550.00 | 79933.00 | 20578.50 | |
| L-ISOLEUCINE_R1 | 94427.27 | 97700.00 | 143005.00 | 114110.00 | |
| L-ISOLEUCINE_R2 | 96700.00 | 84440.00 | 155115.00 | 126435.00 | |
| LL-2,6-DIAMINOHEPTANEDIOATE | 1298181.82 | 1014400.00 | 2822750.00 | 1717050.00 | |
| L-Leucine-13C6 | 215454.55 | 236150.00 | 280650.00 | 228530.00 | |
| L-METHIONINE | 165546.00 | 126173.75 | 568936.84 | 562461.00 | |
| L-Phenylalanine-13C6 | 3013636.36 | 3157800.00 | 3670000.00 | 3211050.00 | |
| L-SERINE_R1 | 845772.73 | 1055300.00 | 1253050.00 | 734485.00 | |
| L-SERINE_R2 | 113063.64 | 115310.00 | 112105.00 | 123075.00 | |
| L-TYROSINE | 838727.27 | 961000.00 | 1053650.00 | 952900.00 | |
| L-Tyrosine-13C6_R1 | 1970909.09 | 2022300.00 | 2443500.00 | 2091100.00 | |
| L-Tyrosine-13C6_R2 | 52246.00 | 68620.00 | 84600.00 | 57725.00 | |
| L-VALINE | 567727.27 | 483600.00 | 962750.00 | 735850.00 | |
| LysoPC (18:1) | 129603.64 | 116405.00 | 207428.95 | 30800.50 | |
| LysoPE (16:0) | 470218.18 | 436550.00 | 1160835.50 | 153033.50 | |
| LysoPE (18:0) | 147046.36 | 123932.86 | 252688.95 | 39812.50 | |
| LysoPE (18:1) | 1245645.45 | 755900.00 | 2287795.00 | 296325.00 | |
| LysoPE (20:4) | 980627.27 | 439180.00 | 1379830.00 | 191380.00 | |
| MALATE | 259990909.09 | 224640000.00 | 259160000.00 | 205175000.00 | |
| MALONATE | 3030909.09 | 2493000.00 | 2666500.00 | 2198000.00 | |
| Mannitol | 60381818.18 | 58030000.00 | 62965000.00 | 62365000.00 | |
| Mono-(2-Ethylhexyl) Phthalate | 2620909.09 | 2620000.00 | 2580500.00 | 2504000.00 | |
| Mono-(2-Ethylhexyl) Phthalate Dimer | 282936.36 | 715280.00 | 435091.50 | 91145.00 | |
| Monobutyl phthalate | 1170181.82 | 1218500.00 | 1522450.00 | 1234300.00 | |
| N-ACETYL-DL-GLUTAMIC ACID_R1 | 12621818.18 | 12068000.00 | 17743500.00 | 11222000.00 | |
| N-ACETYL-DL-GLUTAMIC ACID_R2 | 459881.82 | 625600.00 | 1715000.00 | 2077225.00 | |
| N-ACETYLGLYCINE | 3568545.45 | 1671700.00 | 3305900.00 | 2008450.00 | |
| N-ACETYL-HEXOSAMINE | 717272.73 | 708700.00 | 1009500.00 | 536300.00 | |
| N-ACETYL-L-ALANINE | 1435818.18 | 561500.00 | 1551550.00 | 781700.00 | |
| N-ACETYL-L-ASPARTIC ACID_R1 | 7287363.64 | 13497600.00 | 14999000.00 | 5579250.00 | |
| N-ACETYL-L-ASPARTIC ACID_R2 | 8421818.18 | 6065000.00 | 10469500.00 | 6182000.00 | |
| N-ACETYL-L-LEUCINE | 135727.27 | 120650.00 | 142405.00 | 152765.00 | |
| N-ACETYLNEURAMINATE | 35890909.09 | 40010000.00 | 65350000.00 | 47698000.00 | |
| NALPHA-ACETYL-L-LYSINE | 3213363.64 | 3470400.00 | 6141000.00 | 7338750.00 | |
| N-BOC-L-Aspartic Acid_R1 | 400636363.64 | 420600000.00 | 510700000.00 | 425150000.00 | |
| N-BOC-L-Aspartic Acid_R2 | 54081818.18 | 56180000.00 | 68095000.00 | 57090000.00 | |
| N-BOC-L-tert-Leucine_R1 | 215545454.55 | 226310000.00 | 277050000.00 | 228030000.00 | |
| N-BOC-L-tert-Leucine_R2 | 133536363.64 | 142700000.00 | 174400000.00 | 142015000.00 | |
| N-BOC-L-Tryptophan_R1 | 203818181.82 | 209400000.00 | 221900000.00 | 192100000.00 | |
| N-BOC-L-Tryptophan_R2 | 169000000.00 | 172180000.00 | 182900000.00 | 158750000.00 | |
| N-FORMYLGLYCINE | 5443636.36 | 8696000.00 | 8947500.00 | 4989500.00 | |
| Nicotinamide ribotide | 33840.00 | 251466.67 | 273515.79 | 436393.75 | |
| NICOTINATE | 36896363.64 | 43400000.00 | 58110000.00 | 40492500.00 | |
| N-METHYL-L-GLUTAMATE_R1 | 3762454.55 | 2949400.00 | 5910850.00 | 2625350.00 | |
| N-METHYL-L-GLUTAMATE_R2 | 178836.36 | 156460.00 | 184495.00 | 123540.00 | |
| Pantetheine | 157717.27 | 93881.00 | 366245.00 | 301073.50 | |
| P-Cresol Sulfate | 69372.73 | 55910.00 | 63472.50 | 69602.00 | |
| Propionic Acid-13C3 | 250727.27 | 277590.00 | 298100.00 | 293200.00 | |
| PYRIDOXAL | 61335.45 | 54201.00 | 123024.00 | 66860.50 | |
| QUINATE | 2273181.82 | 2344500.00 | 2876600.00 | 1835300.00 | |
| Salicylic Acid-D4 | 43590909.09 | 44880000.00 | 54915000.00 | 46495000.00 | |
| SARCOSINE/BETA-ALANINE | 521727.27 | 864500.00 | 900300.00 | 723850.00 | |
| SHIKIMATE | 193918.18 | 196820.00 | 234300.00 | 249955.00 | |
| STACHYOSE | 218581.82 | 173730.00 | 235870.00 | 131835.00 | |
| SUCCINATE_R1 | 214027272.73 | 212280000.00 | 262620000.00 | 201150000.00 | |
| SUCCINATE_R2 | 87427272.73 | 109478000.00 | 172966500.00 | 135215000.00 | |
| SUCCINIC ACID-13C4 | 13675454.55 | 14602000.00 | 16284500.00 | 15502500.00 | |
| Sulfoacetaldehyde | 1006454.55 | 950700.00 | 1040450.00 | 788275.00 | |
| TARTARIC ACID | 2855454.55 | 6048000.00 | 3217000.00 | 4493500.00 | |
| TAURINE | 13523636.36 | 10738000.00 | 21198000.00 | 15325000.00 | |
| THREONINE/HOMOSERINE | 1507000.00 | 967200.00 | 2211350.00 | 1279300.00 | |
| THYMINE | 296581.82 | 262680.00 | 544600.00 | 301435.00 | |
| Tryptophan | 1635181.82 | 1574900.00 | 1877800.00 | 1822350.00 | |
| Tryptophan-2,3,3-D3 | 28181818.18 | 27110000.00 | 28775000.00 | 29680000.00 | |
| URACIL | 13842727.27 | 14618000.00 | 22167500.00 | 16037500.00 | |
| URATE | 11081909.09 | 8994000.00 | 10546500.00 | 12333000.00 | |
| URIDINE | 3015454.55 | 6012000.00 | 6455500.00 | 5357000.00 | |
| UROCANATE | 1356272.73 | 1874700.00 | 1424900.00 | 1529150.00 | |
| XANTHINE | 9058272.73 | 10583000.00 | 17856000.00 | 13982500.00 | |
| Xylenesulfonate | 471000.00 | 1049400.00 | 214500.00 | 347540.00 |
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 |
