Data for ST002955
| Metabolite structure | All data | F1 | F2 | F3 | F4 |
|---|---|---|---|---|---|
| 10-Hydroxydecanoic acid | 32540137.06 | 15626524.42 | 15900399.85 | 15874739.38 | |
| 11(E)-Eicosenoic Acid | 40974557.12 | 58822324.26 | 53201832.10 | 69404944.94 | |
| 11(Z),14(Z)-Eicosadienoic Acid | 31276716.94 | 41623639.72 | 41182451.99 | 45312894.72 | |
| 13(S)-HOTrE | 25439648.36 | 23261805.76 | 23408591.16 | 30540350.86 | |
| 1,5-Anhydro-D-glucitol | 682626124.85 | 672528187.24 | 667051948.58 | 718257850.32 | |
| 16-Hydroxyhexadecanoic acid | 22418951.55 | 35252350.45 | 32300922.08 | 33280229.26 | |
| 1-Methylhistidine | 706225603.73 | 713802776.68 | 723077136.98 | 695678941.43 | |
| 1-Methylnicotinamide | 20593004.89 | 22128613.77 | 21676178.08 | 22559384.55 | |
| (1S,3R,4R,5R)-1,3,4-trihydroxy-5-{[(2E)-3-(4-hydroxy-3-metho... | 409091398.50 | 447356457.18 | 436699095.65 | 480380408.01 | |
| 20 β-Dihydroprednisolone | 11264660.26 | 24541060.67 | 24469155.77 | 21438093.69 | |
| 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-methyl-4H-chromen... | 503358511.62 | 497532412.72 | 527451792.15 | 541575861.85 | |
| 2,3-Dihydroxybenzoic acid | 6521643.88 | 4024106.02 | 3471081.65 | 3574865.09 | |
| 2/3-Hydroxybutyrate | 716028007.02 | 781278531.08 | 848287398.12 | 761091201.51 | |
| 2,4-Dihydroxybenzoic acid | 41214453.06 | 12934902.93 | 10760407.25 | 9253252.33 | |
| 2,5-Dihydroxybenzaldehyde | 8738112.76 | 46912277.02 | 6029067.41 | 116765257.26 | |
| 2,6-Di-tert-butyl-1,4-benzoquinone | 24308253.20 | 19346634.23 | 17769049.52 | 21112655.76 | |
| 2-Hydroxyhippuric acid (mzCloud ID 1) | 1944666.45 | 15959535.57 | 1397215.44 | 42873396.82 | |
| 2-Hydroxyhippuric acid (mzCloud ID 2) | 13673515.81 | 19614324.53 | 23829840.92 | 14639365.85 | |
| 2-Oxindole | 122152425.25 | 86965833.07 | 78174206.55 | 78431755.10 | |
| (2R)-2,3-Dihydroxypropanoic acid (mzCloud ID 1) | 36503448.97 | 36962244.97 | 36803373.08 | 36746955.99 | |
| (2R)-2,3-Dihydroxypropanoic acid (mzCloud ID 2) | 7798142.32 | 13191947.81 | 14490079.24 | 13613548.22 | |
| 3-Indoxyl sulphate | 572760345.80 | 396885995.10 | 377162753.84 | 362800648.03 | |
| 3-Methoxyphenylacetic acid | 15640950.17 | 18095674.86 | 21596467.64 | 10837049.68 | |
| 3-Methylhistidine | 892585485.03 | 1215747388.00 | 1183570670.65 | 1327347638.72 | |
| 3-methylphenylacetic acid | 14184137.80 | 26976849.63 | 32627795.87 | 20494136.07 | |
| 3-Methylxanthine | 20642195.71 | 13320283.81 | 14093467.89 | 13312272.99 | |
| 3-Phosphoglyceric acid | 17963309.82 | 15476652.70 | 14174358.94 | 14769424.71 | |
| 4-Hydroxyproline | 1146115994.48 | 855861169.74 | 820737841.12 | 813411952.29 | |
| 4-Methylphenol | 47355257.50 | 38874564.06 | 40202745.24 | 31352274.22 | |
| 4-Pyridoxic acid | 44091655.10 | 12779892.66 | 6352525.99 | 5874512.55 | |
| 7-Methylguanine | 37586779.45 | 41035633.52 | 44335583.98 | 45648272.46 | |
| 8Z,11Z,14Z-Eicosatrienoic acid | 28627198.84 | 43043398.71 | 45120630.93 | 46484990.18 | |
| (±)9-HpODE | 40636805.46 | 35110269.54 | 32135611.85 | 39892937.82 | |
| 9-Methyluric acid | 69912309.58 | 58123523.01 | 54275611.97 | 50963899.20 | |
| Acetaminophen glucuronide | 12088225.19 | 26428832.21 | 28469199.79 | 26733655.78 | |
| Acetophenone | 10974947.98 | 10453260.96 | 10608686.29 | 10993325.08 | |
| Acetyl-β-methylcholine | 106428490.52 | 132964553.50 | 146809371.42 | 124315844.43 | |
| Adenosine monophosphate | 15476276.32 | 11442250.37 | 10231051.37 | 11493262.56 | |
| Adenosine triphosphate | 7062279.22 | 4726556.68 | 4813892.72 | 5384531.06 | |
| ADP | 20325745.02 | 14202539.93 | 14048476.80 | 15713171.06 | |
| Anthranilic acid (mzCloud ID 1) | 2318277.55 | 102013164.72 | 196971755.39 | 30952258.46 | |
| Anthranilic acid (mzCloud ID 2) | 350971909.75 | 233401672.68 | 227808439.53 | 175794374.86 | |
| Arachidonic acid | 142423521.15 | 167300089.26 | 162983825.31 | 174299516.87 | |
| Benzoylecgonine (mzCloud ID 1) | 373843.40 | 18414852.59 | 44149925.84 | 12670030.87 | |
| Benzoylecgonine (mzCloud ID 2) | 272618.89 | 4797919.43 | 11982065.87 | 3690151.47 | |
| Betaine | 10532459952.17 | 11765047655.60 | 11796298364.48 | 11137333577.00 | |
| Bicyclo Prostaglandin E2 | 5571511.86 | 8103699.38 | 9636397.12 | 5923618.37 | |
| Bilirubin (mzCloud ID 1) | 17535506.64 | 13109341.14 | 14467519.13 | 17709034.57 | |
| Bilirubin (mzCloud ID 2) | 5495282.64 | 8179112.72 | 6403577.97 | 8310490.04 | |
| Caffeine | 351634233.75 | 205378032.76 | 168787541.09 | 56262019.80 | |
| Cholic acid (mzCloud ID 1) | 6186565.48 | 12450353.06 | 15735940.61 | 11021006.35 | |
| Cholic acid (mzCloud ID 2) | 6624586.06 | 12082126.25 | 14665558.23 | 9279697.97 | |
| Choline | 950243500.22 | 935056027.28 | 891791224.01 | 944474637.63 | |
| cis-Aconitic acid | 139169266.77 | 134224533.90 | 131414868.07 | 130766824.70 | |
| Citric acid | 2039978961.50 | 2000804032.40 | 1987883122.04 | 2081240888.00 | |
| Citrulline | 997220052.75 | 1045397259.60 | 1107350926.08 | 1010538300.84 | |
| Cotinine | 12356138.92 | 139633641.02 | 139067370.22 | 180503821.45 | |
| (+/-)-CP 47,497-C8-Homolog | 12879336.94 | 11984211.56 | 15306107.17 | 17146601.07 | |
| Creatine | 3727186381.17 | 5556685629.40 | 5574258167.80 | 5765253701.33 | |
| Creatinine | 14279336540.00 | 13699503076.20 | 14311417354.08 | 14594860930.00 | |
| Decanoic acid | 88429918.17 | 120285840.56 | 117453713.52 | 115179363.45 | |
| Decanoylcarnitine (mzCloud ID 1) | 30332118.97 | 36120636.98 | 29738022.06 | 42380684.77 | |
| Decanoylcarnitine (mzCloud ID 2) | 29416318.90 | 29851200.94 | 27364814.29 | 36210376.22 | |
| Deoxycholic Acid | 58239831.84 | 62917772.72 | 73775684.90 | 51320897.40 | |
| D-Erythro-sphingosine 1-phosphate | 38570263.27 | 29868977.35 | 30506795.80 | 31079338.21 | |
| D-Fructose | 13602024.86 | 8867051.46 | 9358738.91 | 7091394.20 | |
| D-Glucose | 413280369.05 | 463809645.12 | 471280995.08 | 488156848.57 | |
| DHAP/GAP | 5096940.93 | 3132650.01 | 3332395.09 | 3227324.00 | |
| DL-4-Hydroxyphenyllactic acid | 93141575.92 | 83973868.53 | 86312762.26 | 81751588.42 | |
| DL-Stachydrine | 915660667.18 | 3251526961.40 | 3187382042.74 | 4365715469.81 | |
| D-(-)-Lyxose | 58716536.18 | 39455796.83 | 40727687.95 | 29933352.84 | |
| Docosahexaenoic Acid | 60673903.23 | 102059777.26 | 104972401.14 | 107433972.61 | |
| D-(-)-Quinic acid | 105986655.27 | 124509687.34 | 131731842.63 | 98901272.81 | |
| D-Saccharic acid (mzCloud ID 1) | 6123322.57 | 5075646.32 | 6014198.44 | 6019057.75 | |
| D-Saccharic acid (mzCloud ID 2) | 26716772.94 | 28480691.17 | 29755214.78 | 28109077.33 | |
| D-δ-Tocopherol | 30019680.71 | 36100351.84 | 36029167.91 | 37865459.10 | |
| Ecgonine | 56788805.02 | 64719960.36 | 67226632.34 | 53572443.28 | |
| Ecgonine methyl ester | 861899.79 | 4716893.87 | 11132252.81 | 3185209.62 | |
| Fisetin | 90079514.20 | 92390952.81 | 91385104.51 | 91904756.06 | |
| Glutaric acid | 12623147.42 | 20095025.71 | 14498464.43 | 19725994.08 | |
| Glycerol 3-phosphate | 14494833.91 | 5337039.84 | 3550280.38 | 4013352.74 | |
| Glycerophospho-N-palmitoyl ethanolamine | 14380333.67 | 18813297.62 | 19335664.17 | 18186500.47 | |
| Glycine | 112591358.15 | 102212724.58 | 101172716.79 | 110145354.87 | |
| Glycocholic acid | 7904081.07 | 8324796.16 | 9250668.40 | 8220748.16 | |
| Glycoursodeoxycholic acid | 45443437.42 | 59433237.97 | 77154688.40 | 45512567.41 | |
| Guanidineacetic acid | 248247939.53 | 223354181.48 | 224708341.53 | 210025303.40 | |
| Guvacoline (mzCloud ID 1) | 41665333.51 | 61459117.16 | 71463881.10 | 62873477.96 | |
| Guvacoline (mzCloud ID 2) | 17359397.74 | 24149219.92 | 24938122.57 | 27243632.91 | |
| Hexanoylcarnitine | 14315035.13 | 14295997.10 | 13956358.95 | 15147095.67 | |
| Hippuric acid (mzCloud ID 1) | 211699352.67 | 335245482.80 | 386398815.41 | 235639642.82 | |
| Hippuric acid (mzCloud ID 2) | 45974944.50 | 73919268.92 | 82753217.46 | 55116607.99 | |
| Hydroxyisocaproic acid | 22966746.39 | 18682586.40 | 22514110.00 | 22870453.05 | |
| Hypoxanthine | 73539294.00 | 72884574.68 | 67457871.70 | 82645468.16 | |
| Indole-3-acetic acid | 41897969.05 | 56813729.44 | 61101955.84 | 58411359.81 | |
| Indole-3-lactic acid | 68027938.05 | 52677712.95 | 52428669.18 | 50461620.61 | |
| Indole-3-pyruvic acid | 35519169.37 | 26926121.08 | 27786287.51 | 26086060.61 | |
| Inosinic acid | 20312113.77 | 12882975.86 | 12380081.60 | 11821299.71 | |
| Isoquinoline | 17304983.06 | 18400325.32 | 21496798.86 | 19039724.30 | |
| Isorhamnetin | 497834302.02 | 509262418.12 | 515907864.87 | 523830779.78 | |
| L-Acetylcarnitine | 2054785808.83 | 2632792929.00 | 2842412447.12 | 2445532879.27 | |
| L-Alanine | 1335371367.70 | 1111531993.40 | 1131838293.41 | 1100517903.19 | |
| L-Arginine | 1242041492.83 | 1243940529.00 | 1286809463.98 | 1187312977.49 | |
| L-Ascorbic acid 2-sulfate | 33616681.04 | 34149790.17 | 32399388.58 | 34598712.06 | |
| L-Asparagine | 117649513.60 | 104526070.08 | 106541454.92 | 106721354.85 | |
| L-Aspartic acid | 9885396.21 | 10255925.17 | 9553828.98 | 8875850.63 | |
| Lauric acid | 270265967.40 | 255408975.44 | 249735202.18 | 271489093.14 | |
| L(-)-Carnitine | 6613523.17 | 39664171.89 | 52156760.29 | 36920891.21 | |
| L-Carnitine | 8982544424.83 | 9788655130.60 | 10545741876.56 | 9468724680.00 | |
| L-Cysteine-S-sulfate | 40521066.73 | 46282965.24 | 50426610.36 | 49474495.60 | |
| L-Cystine | 95209605.56 | 81119600.88 | 84549462.62 | 82903993.69 | |
| L-Ergothioneine | 90312466.67 | 67008473.61 | 67281698.03 | 63039392.26 | |
| Leucylproline | 84500481.84 | 78813177.49 | 80151088.49 | 79574902.22 | |
| L-Glutamic acid | 287736953.10 | 289745946.68 | 296147600.72 | 313960785.55 | |
| L-Glutamine | 10032116151.83 | 10311735746.40 | 10618851079.28 | 10771162984.60 | |
| L-Glyceric acid | 15749445.13 | 16456561.41 | 15504413.67 | 15104763.17 | |
| L-Histidine | 4878060368.83 | 4936840947.20 | 4976567208.00 | 5032956256.67 | |
| L-Iditol | 39478681.70 | 28633035.33 | 30502636.17 | 21421071.22 | |
| Linoleic acid | 2524695040.00 | 3591117930.60 | 3530685984.44 | 4238302504.27 | |
| ?-Linolenic Acid | 289934907.14 | 223050969.62 | 213685848.78 | 215495607.85 | |
| L-Isoleucine | 3141608995.17 | 3077047721.40 | 3101303712.20 | 3132200423.40 | |
| L-Kynurenine | 192201462.07 | 194933924.50 | 213719423.71 | 186065118.79 | |
| L-Lactic acid | 23900190698.00 | 19694410845.80 | 18944763879.80 | 18970174954.47 | |
| L-Leucine | 4104748292.67 | 4286971609.20 | 4200050500.00 | 4296665789.13 | |
| L-Lysine | 510778171.53 | 497366487.88 | 505042927.91 | 476836998.29 | |
| L-Methionine | 1537940784.55 | 1469789342.00 | 1448653736.44 | 1543098973.33 | |
| L-Phenylalanine | 3686425058.00 | 3716761670.00 | 3708234375.96 | 4093978638.40 | |
| L-Proline | 11984352283.00 | 13123449782.00 | 12698941011.64 | 14127280198.67 | |
| L-Serine | 233246565.23 | 243988242.06 | 240340047.48 | 256620947.00 | |
| L-Threonic acid | 259819950.07 | 274559897.98 | 277320941.71 | 264529667.72 | |
| L-Threonine | 2859019448.17 | 2761807159.80 | 2755204282.96 | 2833358098.87 | |
| L-Tryptophan | 2049161011.17 | 2080707931.40 | 2064401058.76 | 2148079115.53 | |
| L-Tyrosine | 1647094246.67 | 1687159770.40 | 1699644985.08 | 1717999200.93 | |
| Luteolin | 11780865.78 | 10006457.76 | 11191972.26 | 11530291.11 | |
| L-Valine | 4112887879.17 | 4086739964.80 | 4027656386.80 | 3937667832.33 | |
| Malic acid | 141024795.40 | 130070496.62 | 130346985.81 | 132997749.40 | |
| Mesalamine | 23264403.16 | 14199950.64 | 11550449.14 | 13700823.66 | |
| Methionine sulfoxide | 69187575.45 | 61329390.48 | 56949579.51 | 54012648.21 | |
| Methylimidazoleacetic acid | 46943034.69 | 62875589.43 | 66218654.12 | 66051727.76 | |
| Methyl indole-3-acetate | 92962102.76 | 53169925.54 | 50907385.79 | 43833007.92 | |
| Myristic acid | 293254479.28 | 426850526.22 | 419093349.12 | 492748795.84 | |
| N-(2-hydroxyphenyl)acetamide | 15330157.94 | 28673136.80 | 36093845.81 | 35224430.82 | |
| N6-Acetyl-L-lysine (mzCloud ID 1) | 40478042.16 | 41642450.00 | 41695945.97 | 41278470.97 | |
| N6-Acetyl-L-lysine (mzCloud ID 2) | 2571381.73 | 2238757.25 | 2495003.04 | 2369634.44 | |
| N6,N6,N6-Trimethyl-L-lysine | 77057482.97 | 74619022.16 | 79981682.47 | 63060051.93 | |
| N-Acetyl-5-aminosalicylic acid | 6443237.30 | 7623920.18 | 8156522.92 | 7764099.96 | |
| N-Acetyl-L-alanine | 40460910.31 | 37792975.46 | 38487131.09 | 41181334.39 | |
| N-Acetyl-L-carnosine | 34601684.55 | 23135620.47 | 21684812.36 | 23314445.06 | |
| N-Acetyl-L-leucine | 2970981.97 | 8647181.56 | 9458864.54 | 10604594.84 | |
| N-Acetylneuraminic acid | 9330622.99 | 8883147.26 | 8507498.83 | 8946126.96 | |
| N-Acetylornithine | 148009094.88 | 243545657.10 | 257812187.41 | 257432459.09 | |
| Nicotinamide | 139770042.16 | 106065209.38 | 115915814.91 | 103824408.53 | |
| N-Phenylacetylglutamine (mzCloud ID 1) | 267613500.17 | 235439906.66 | 236344809.01 | 238244874.73 | |
| N-Phenylacetylglutamine (mzCloud ID 2) | 40916559.23 | 32814709.78 | 33818140.04 | 34716968.85 | |
| Oleoyl-L-α-lysophosphatidic acid | 224184377.63 | 275061976.42 | 285566697.16 | 271763673.27 | |
| Ornithine | 371845752.12 | 308492876.40 | 309246813.57 | 292272766.29 | |
| Orotic acid | 5728149.34 | 6631076.55 | 7266494.39 | 7369071.41 | |
| Oxoglutaric acid | 118369562.31 | 128265374.30 | 138976046.99 | 131897351.06 | |
| Palmitoleic Acid | 366203594.57 | 645003983.18 | 641058776.00 | 763260752.49 | |
| Palmitoyl sphingomyelin | 493465256.25 | 420108278.44 | 498726325.83 | 555120904.83 | |
| Pantothenic acid | 65716634.42 | 40098946.11 | 35944765.54 | 48975627.13 | |
| Paracetamol | 1588792.84 | 4828285.74 | 4599505.26 | 10221629.56 | |
| Pentadecanoic Acid | 45136663.42 | 68422653.07 | 68444389.92 | 71940863.05 | |
| Phenyllactic acid | 11510025.43 | 9343555.97 | 9015206.27 | 9983117.84 | |
| Pipecolic acid | 276418241.48 | 246710995.50 | 215406915.01 | 260707087.17 | |
| Piperine | 201128284.41 | 59478662.39 | 27843568.89 | 29756918.65 | |
| Pregabalin | 4370942.83 | 39949314.61 | 93680957.55 | 2894598.14 | |
| Propionylcarnitine | 170219199.22 | 197990301.98 | 212233113.72 | 204475276.12 | |
| Pyroglutamic acid | 1154560003.65 | 1050351328.00 | 982814554.05 | 901623399.49 | |
| Pyruvic acid | 1617308652.95 | 1079684696.60 | 1126674450.39 | 1072593349.85 | |
| Quinolinic acid | 7169242.18 | 9586362.82 | 11132811.51 | 9234858.55 | |
| Sarcosine | 134664266.57 | 144582398.62 | 151610678.66 | 154510432.41 | |
| S-Methyl-L-cysteine-S-oxide | 41344600.29 | 41503049.49 | 39098353.75 | 44873016.69 | |
| Sucrose | 1460433.42 | 2203142.75 | 2087503.02 | 4780917.63 | |
| Symmetric dimethylarginine | 125154835.64 | 142260289.82 | 147975001.29 | 148646820.83 | |
| Taurine | 2165616671.33 | 2009971581.60 | 1900862496.16 | 1927027476.87 | |
| Testosterone sulfate | 530546501.93 | 479352382.72 | 469880357.96 | 505413780.87 | |
| Tetradecanedioic acid | 3838541.81 | 3853088.31 | 3761524.13 | 3660600.78 | |
| Theophylline (mzCloud ID 1) | 111145674.25 | 73167840.17 | 82367423.67 | 38739303.77 | |
| Theophylline (mzCloud ID 2) | 16581272.02 | 16231170.70 | 16867785.42 | 9779273.83 | |
| Tranexamic acid | 164918753.13 | 50557679.66 | 35244123.48 | 25591399.37 | |
| trans-10-Heptadecenoic Acid | 31357444.90 | 52119253.86 | 54474259.38 | 60143918.71 | |
| trans-3-Hydroxycotinine | 1930935.06 | 11067705.82 | 19022093.62 | 23272871.26 | |
| trans-Cinnamic acid | 20023841.41 | 20592363.93 | 20581217.85 | 21637363.37 | |
| trans-Petroselinic acid | 4725806051.00 | 7901213046.20 | 7860283995.88 | 9167567161.93 | |
| Trimethylamine N-oxide | 173997391.99 | 273062311.24 | 310725439.29 | 185750866.92 | |
| Uric acid | 4288522046.33 | 3994222491.60 | 3949564820.88 | 4047898879.93 | |
| Uridine | 117331540.99 | 112028060.68 | 113133622.04 | 116345963.34 | |
| Valdecoxib | 462090763.32 | 503404315.82 | 533115788.09 | 551750328.78 | |
| Xanthine | 44447444.90 | 49191645.89 | 51172930.02 | 50621474.69 | |
| δ-Ribono-1,4-lactone | 109064223.99 | 120666817.98 | 121274700.49 | 118286671.38 |
Factors:
| F1 | Group:HC |
| F2 | Group:n/a |
| F3 | Group:Progressor |
| F4 | Group:VNP |
