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Citation Information
Metabolites. 2015 Apr 9;5(2):192-210. doi: 10.3390/metabo5020192.
Systemic Metabolomic Changes in Blood Samples of Lung Cancer Patients Identified by Gas Chromatography Time-of-Flight Mass Spectrometry.
Miyamoto S, Taylor SL, Barupal DK, Taguchi A, Wohlgemuth G, Wikoff WR, Yoneda KY, Gandara DR, Hanash SM, Kim K, Fiehn O,.
Analytical methods | |||
|---|---|---|---|
| Comparative study | #1 | #2 | |
| Chromatography | GC | GC | |
| Ion source | EI | EI | |
| Positive/Negative mode | – | – | |
| Mass analyzer | TOF | TOF | |
| Identification level | MS/MS | MS/MS | |
Sample information | |||
|---|---|---|---|
| Comparative study | #1 | #2 | |
| Country | US | US | |
| Specimen | blood | blood | |
| Marker function | diagnosis | diagnosis | |
| Participants(Case) | Cancer type | adenocarcinoma | NSCLC, SCLC, mesothelioma, secondary metastasis to lung |
| Stage | unknown (mostly late stage) | I, II, III, IV | |
| Number | 18 | 11 | |
| Gender (M,F) | 10, 8 | 4, 7 | |
| Mean age (range) (M,F) | 67 (50-85) / 62 (53-72) | 67 (61-73) / 67 (47-76) | |
| Smoking status | former, current | smoker, non-smoker | |
| Participants(Control) | Type | healthy | healthy |
| Number | 20.0 | 11.0 | |
| Gender (M,F) | 8, 12 | 5, 6 | |
| Mean age (range) (M,F) | 64 (49-80) / 66 (58-82) | 69 (61-83) / 54 (44-61) | |
| Smoking status | former, current | unknown | |
Data processing and metabolite identification | |
|---|---|
| Data processing software | ChromaTOF software (Leco) |
| Database search | UC Davis Metabolomics BinBase database |
Statistics and concentration information | |
|---|---|
| Differential analysis method | Analysis of Covariance |
| Classification method | – |
| Survival analysis method | – |
Metabolites identified in the paper
| Metabolite | Comparative study | Author-emphasized biomarkers | Mean concentration (case) | Mean concentration (control) | Fold change (case/control) | P-value | FDR | VIP |
|---|---|---|---|---|---|---|---|---|
| behenic acid | – | – | 2135.27272727273 | 2155.54545454545 | 0.990595082451183 | 0.999057462610326 | – | – |
| uridine | – | – | 218 | 230.727272727273 | 0.944838455476753 | 0.99811331605957 | – | – |
| 1-monostearin | – | – | 604 | 597.8 | 1.01037136165942 | 0.996675362077527 | – | – |
| linoleic acid | – | – | 5261.72727272727 | 4374.63636363636 | 1.20278049084599 | 0.9931678209102 | – | – |
| methioninesulfoxide | – | – | 4847.45454545455 | 4774 | 1.01538637315763 | 0.989305286666861 | – | – |
| cellobiose | – | – | 946.944444444444 | 901.2 | 1.05075948118558 | 0.983803654491078 | – | – |
| 4-hydroxyproline | – | – | 8552.18181818182 | 8878.09090909091 | 0.963290633735754 | 0.979945064127709 | – | – |
| benzylalcohol | – | – | 9034.88888888889 | 9904.75 | 0.912177378418323 | 0.969077877835817 | – | – |
| inulobiose | – | – | 2180.90909090909 | 2210 | 0.986836692719046 | 0.964541480741997 | – | – |
| erythritol | – | – | 3187.77777777778 | 3122.7 | 1.02084022729618 | 0.961924729348088 | – | – |
| cystine | – | – | 24613 | 23835.05 | 1.03263890782692 | 0.95770813540115 | – | – |
| pelargonic acid | – | – | 34173.3888888889 | 34539.35 | 0.989404516555433 | 0.950070170278862 | – | – |
| 2-ketoisocaproic acid | – | – | 3391.18181818182 | 3573.18181818182 | 0.94906500445236 | 0.947262741898606 | – | – |
| 2-hydroxyglutaric acid | – | – | 3436.05555555556 | 3520.45 | 0.976027370238338 | 0.933223837712845 | – | – |
| phosphoethanolamine | – | – | 1214.77777777778 | 1142.3 | 1.06344898693669 | 0.928864425562636 | – | – |
| 2-ketoisocaproic acid | – | – | 3495.05555555556 | 3470.75 | 1.00700296925897 | 0.923479911205662 | – | – |
| glutamic acid | – | – | 31486.3636363636 | 34887.1818181818 | 0.902519550030097 | 0.914383220847435 | – | – |
| ornithine | – | – | 143616.727272727 | 145074.545454545 | 0.989951247634445 | 0.91131215818527 | – | – |
| acetophenone | – | – | 18387.3888888889 | 18792.8 | 0.978427317317744 | 0.910632004804236 | – | – |
| conduritol-beta-epoxide | – | – | 2527.11111111111 | 1991.65 | 1.26885301690112 | 0.906020705459384 | – | – |
| oxoproline | – | – | 195323.272727273 | 203595.090909091 | 0.959371229704592 | 0.904847548842238 | – | – |
| palmitoleic acid | – | – | 9374.27272727273 | 6484.18181818182 | 1.44571404536915 | 0.898215502868092 | – | – |
| myristic acid | – | – | 4617.45454545455 | 3964.81818181818 | 1.16460688326875 | 0.896276215558535 | – | – |
| methylhexadecanoic acid | – | – | 6415.09090909091 | 5853.27272727273 | 1.09598359891902 | 0.890232592065085 | – | – |
| fructose | – | – | 117303 | 116192.454545455 | 1.00955781043519 | 0.887503813435389 | – | – |
| trehalose | – | – | 758.5 | 742.55 | 1.02148003501448 | 0.877266570611338 | – | – |
| lauric acid | – | – | 12947.0909090909 | 11675 | 1.10895853611057 | 0.864285049111308 | – | – |
| methanol phosphate | – | – | 4945.44444444444 | 5225.15 | 0.946469373021721 | 0.859042061569388 | – | – |
| asparagine | – | – | 14487.0555555556 | 15229.3 | 0.951262077413641 | 0.857569175718798 | – | – |
| indole-3-acetate | – | – | 2340.63636363636 | 2316.09090909091 | 1.01059779408879 | 0.857440435177914 | – | – |
| monopalmitin-1-glyceride | – | – | 664.454545454545 | 565.636363636364 | 1.17470266795243 | 0.847561068926265 | – | – |
| pelargonic acid | – | – | 33678.6363636364 | 35053.3636363636 | 0.960781872832849 | 0.819952838843465 | – | – |
| maltose | – | – | 1061.45454545455 | 988.636363636364 | 1.07365517241379 | 0.818579605509709 | – | – |
| arachidic acid | – | – | 2670.5 | 2741.4 | 0.974137302108412 | 0.816031439850521 | – | – |
| arachidonic acid isomer | – | – | 6028.09090909091 | 5082.72727272727 | 1.18599534966911 | 0.815314012263547 | – | – |
| hydrocinnamic acid | – | – | 1108.16666666667 | 1113.75 | 0.994986906098017 | 0.81239886365563 | – | – |
| inulobiose | – | – | 2278.11111111111 | 2121.35 | 1.07389686337055 | 0.812124645176023 | – | – |
| aconitic acid | – | – | 479.090909090909 | 462.727272727273 | 1.03536345776031 | 0.808537365538636 | – | – |
| glyceric acid | – | – | 12300.8181818182 | 12011.3636363636 | 1.02409839167455 | 0.804220948585399 | – | – |
| urea | – | – | 620351.333333333 | 630235.1 | 0.984317333854197 | 0.802285160952632 | – | – |
| isolinoleic acid | – | – | 575.222222222222 | 571.65 | 1.00624896741402 | 0.801604138492982 | – | – |
| ornithine | – | – | 145808.722222222 | 143028.95 | 1.0194350320143 | 0.800856165993147 | – | – |
| palmitic acid | – | – | 50740.0909090909 | 43659.3636363636 | 1.16218118366778 | 0.797395645469454 | – | – |
| glycolic acid | – | – | 2792.83333333333 | 2829.2 | 0.987145954097743 | 0.786875449738534 | – | – |
| isothreonic acid | – | – | 3336.72222222222 | 3483.7 | 0.957809863714505 | 0.783254824570394 | – | – |
| succinic acid | – | – | 2912.90909090909 | 2942.27272727273 | 0.990020083423451 | 0.780710390184527 | – | – |
| lignoceric acid | – | – | 1819.38888888889 | 1828.5 | 0.995017166469176 | 0.775436119058108 | – | – |
| uric acid | – | – | 84488.0909090909 | 83953.4545454545 | 1.00636824734052 | 0.765630535851641 | – | – |
| inositolmyo | – | – | 38940.9090909091 | 39584.6363636364 | 0.98373795159279 | 0.764086189436621 | – | – |
| citrulline | – | – | 6277.66666666667 | 5999.2 | 1.04641730008446 | 0.758606079008397 | – | – |
| ribitol | – | – | 765.722222222222 | 789.9 | 0.969391343489331 | 0.74598098039853 | – | – |
| inosine | – | – | 14990.0909090909 | 11042.3636363636 | 1.35750745064462 | 0.740010574427038 | – | – |
| taurine | – | – | 19996.1111111111 | 19441.15 | 1.02854569359894 | 0.732453216590408 | – | – |
| glyceric acid | – | – | 12132.6111111111 | 12177.15 | 0.996342420936846 | 0.732395105789071 | – | – |
| isothreonic acid | – | – | 3438.72727272727 | 3389.36363636364 | 1.01456427862565 | 0.73053324367041 | – | – |
| isoleucine | – | – | 115073.090909091 | 115088.818181818 | 0.999863346648478 | 0.716321873919856 | – | – |
| glycine | – | – | 402769.166666667 | 437579 | 0.920449031298729 | 0.714663977186596 | – | – |
| arginineornithine | – | – | 128983.545454545 | 127258.363636364 | 1.01355652995124 | 0.707416020248247 | – | – |
| 5-methoxytryptamine | – | – | 1034.81818181818 | 1198.36363636364 | 0.863526020330754 | 0.704781815028806 | – | – |
| creatinine | – | – | 30627 | 31805.5454545455 | 0.962945283984211 | 0.704705453414226 | – | – |
| quinic acid | – | – | 1520.83333333333 | 1257.5 | 1.20941020543406 | 0.703595033764911 | – | – |
| glucuronic acid | – | – | 3110.27777777778 | 3806.5 | 0.817096487003225 | 0.703508958514776 | – | – |
| glycerol-alpha-phosphate | – | – | 10686.7272727273 | 9863.90909090909 | 1.08341704837654 | 0.702511931394006 | – | – |
| beta-alanine | – | – | 1797.5 | 1814.65 | 0.990549141707767 | 0.698824522385786 | – | – |
| serine | – | – | 97409.6111111111 | 97484.7 | 0.999229736677767 | 0.692479913437385 | – | – |
| fumaric acid | – | – | 1203.72727272727 | 1162.36363636364 | 1.03558579696543 | 0.681243039341118 | – | – |
| benzoic acid | – | – | 19276.2727272727 | 17685.7272727273 | 1.08993384495973 | 0.680986012369499 | – | – |
| 2-hydroxyglutaric acid | – | – | 2842 | 4118.81818181818 | 0.690003752179575 | 0.680282301484961 | – | – |
| 2,3-dihydroxybutanoic acid | – | – | 670.277777777778 | 712.55 | 0.940674728479093 | 0.676704247595222 | – | – |
| threitol | – | – | 1812.11111111111 | 1618.4 | 1.11969297522931 | 0.675139154182809 | – | – |
| aminomalonic acid | – | – | 3780.61111111111 | 4559.65 | 0.829145024532829 | 0.658591788826966 | – | – |
| inositol myo- | – | – | 41161.4444444444 | 37554.1 | 1.09605727322568 | 0.65833485181042 | – | – |
| 2-deoxyerythritol | – | – | 5815.36363636364 | 6380.81818181818 | 0.911382125404266 | 0.647368520613024 | – | – |
| glycerol-3-galactoside | – | – | 800.181818181818 | 680.363636363636 | 1.17610903260289 | 0.645005855392528 | – | – |
| kynurenine | – | – | 714.444444444444 | 749.9 | 0.952719621875509 | 0.641371796051186 | – | – |
| oxalic acid | – | – | 48235.0555555556 | 50490.6 | 0.955327438286643 | 0.640668947993737 | – | – |
| pseudo uridine | – | – | 4669.61111111111 | 4566.15 | 1.02265828128973 | 0.639314401931494 | – | – |
| lysine | – | – | 167528.454545455 | 172015 | 0.973917708022292 | 0.636090999818041 | – | – |
| aminomalonic acid | – | – | 4157.09090909091 | 4224.09090909091 | 0.984138598945443 | 0.63539227839077 | – | – |
| adipic acid | – | – | 1755.72727272727 | 3091.27272727273 | 0.56796259263616 | 0.634935710634966 | – | – |
| sucrose | – | – | 895.727272727273 | 1151.90909090909 | 0.777602399179228 | 0.634542934841378 | – | – |
| oxoproline | – | – | 201697.888888889 | 197444.35 | 1.02154297597723 | 0.611078459281691 | – | – |
| levoglucosan | – | – | 2695.54545454545 | 1876.18181818182 | 1.43671867429014 | 0.606358385139175 | – | – |
| oxalic acid | – | – | 50486.8181818182 | 48357.8181818182 | 1.04402597304939 | 0.605610971642467 | – | – |
| glycerol-alpha-phosphate | – | – | 10504.2777777778 | 10069.05 | 1.04322431389036 | 0.604944910018154 | – | – |
| tocopherol alpha | – | – | 14255.4545454545 | 13751.0909090909 | 1.03667808173897 | 0.603511540269781 | – | – |
| glycine | – | – | 476241 | 365939.181818182 | 1.30142117505368 | 0.603054908750483 | – | – |
| cystine | – | – | 24883.3636363636 | 23523.7272727273 | 1.05779850904889 | 0.593087487212968 | – | – |
| 3-aminoisobutyric acid | – | – | 8916.72727272727 | 9881.18181818182 | 0.90239481843357 | 0.590798804706753 | – | – |
| biuret | – | – | 807.166666666667 | 848.7 | 0.951062409174816 | 0.561867815831642 | – | – |
| valine | – | – | 321619.454545455 | 349720.636363636 | 0.919646772605771 | 0.561051969647996 | – | – |
| guanosine | – | – | 138.611111111111 | 142.3 | 0.974076676817365 | 0.557818485027384 | – | – |
| cysteine | – | – | 8400.90909090909 | 8526.72727272727 | 0.985244258694586 | 0.548600682133662 | – | – |
| behenic acid | – | – | 2194.33333333333 | 2101.4 | 1.04422448526379 | 0.547178758024616 | – | – |
| levoglucosan | – | – | 1476.38888888889 | 3014.4 | 0.489778691908469 | 0.542604330977297 | – | – |
| asparagine | – | – | 13549.2727272727 | 16206.2727272727 | 0.836051136204276 | 0.54193382193165 | – | – |
| arabitol | – | – | 5453.18181818182 | 5837.81818181818 | 0.934112993646443 | 0.534519171570937 | – | – |
| 1,5-anhydroglucitol | – | – | 92187.8181818182 | 88164 | 1.04564014996845 | 0.531017589459075 | – | – |
| glutaric acid | – | – | 635.888888888889 | 614.75 | 1.03438615516696 | 0.530845691593894 | – | – |
| 2-deoxyribonic acid | – | – | 219 | 302.090909090909 | 0.724947336743906 | 0.530236390518351 | – | – |
| elaidic acid | – | – | 3944.81818181818 | 1937.36363636364 | 2.03617849936652 | 0.529390317723498 | – | – |
| glucose | – | – | 610872.636363636 | 630890.090909091 | 0.968271090584716 | 0.523434850323184 | – | – |
| proline | – | – | 260510.388888889 | 280747.85 | 0.927915882130135 | 0.522625308200118 | – | – |
| glucose-6-phosphate | – | – | 359.909090909091 | 379.272727272727 | 0.948945349952061 | 0.519804186226891 | – | – |
| glucose-6-phosphate | – | – | 366.666666666667 | 372.25 | 0.985001119319454 | 0.519108884563936 | – | – |
| isoleucine | – | – | 109955.111111111 | 119694.25 | 0.918633193416652 | 0.512371110406492 | – | – |
| beta-mannosylglycerate | – | – | 17683.7222222222 | 16626.55 | 1.06358337852544 | 0.512269061825616 | – | – |
| capric acid | – | – | 16447.4545454545 | 15026.6363636364 | 1.09455330836757 | 0.508984828165207 | – | – |
| isolinoleic acid | – | – | 609.272727272727 | 537.363636363636 | 1.13381830485535 | 0.507645438477064 | – | – |
| cysteine-glycine | – | – | 518.833333333333 | 660.05 | 0.786051561750373 | 0.500966158857803 | – | – |
| azelaic acid | – | – | 2522.83333333333 | 2685.9 | 0.93928788612135 | 0.500265835140085 | – | – |
| 2-aminoadipic acid | – | – | 407.090909090909 | 403 | 1.0101511391834 | 0.496261521755389 | – | – |
| uric acid | – | – | 83863.3888888889 | 84542.4 | 0.991968395608463 | 0.49106590848698 | – | – |
| tocopherol alpha | – | – | 13260 | 14672.2 | 0.903749948882921 | 0.490457906856885 | – | – |
| hypoxanthine | – | – | 16294.1666666667 | 17261.85 | 0.943940925605695 | 0.489098818682112 | – | – |
| xylitol | – | – | 1208.11111111111 | 1027.75 | 1.17549122949269 | 0.485714481999186 | – | – |
| 3,6-anhydrogalactose | – | – | 417.722222222222 | 432.4 | 0.966055093020866 | 0.485669105708896 | – | – |
| sorbitol | – | – | 3540.18181818182 | 3063.27272727273 | 1.1556861348528 | 0.485070518592638 | – | – |
| benzoic acid | – | – | 17932.8888888889 | 18974.15 | 0.945122120826961 | 0.483627165628128 | – | – |
| erythronic acid lactone | – | – | 23480.5 | 43003.5 | 0.546013696559582 | 0.472621328718724 | – | – |
| pyrophosphate | – | – | 1241.77777777778 | 1471.55 | 0.843857006406699 | 0.464134125027707 | – | – |
| hydroxylamine | – | – | 9695.11111111111 | 8432.35 | 1.14975198030337 | 0.463343119216481 | – | – |
| xylitol | – | – | 1008.18181818182 | 1218.18181818182 | 0.827611940298507 | 0.4604579786076 | – | – |
| 2-phenylpropanol | – | – | 1924.94444444444 | 2055.35 | 0.936553114770937 | 0.459441382395219 | – | – |
| allo-inositol | – | – | 1393 | 2438.27272727273 | 0.571306066142202 | 0.455113546707477 | – | – |
| inositol-4-monophosphate | – | – | 447.388888888889 | 425.65 | 1.05107221634885 | 0.453422557979109 | – | – |
| cellobiose | – | – | 903.727272727273 | 942 | 0.959370777842115 | 0.4470507776645 | – | – |
| hydroxycarbamate | – | – | 844.388888888889 | 723.5 | 1.167088996391 | 0.445084085179062 | – | – |
| tyrosine | – | – | 137603.636363636 | 146787.454545455 | 0.937434583832406 | 0.442393621085028 | – | – |
| 3,6-anhydrogalactose | – | – | 411.454545454545 | 439.363636363636 | 0.93647837781916 | 0.440680732965344 | – | – |
| guanosine | – | – | 168.727272727273 | 112.363636363636 | 1.50161812297735 | 0.439434259486233 | – | – |
| 1,5-anhydroglucitol | – | – | 95587.3888888889 | 85305.45 | 1.12053085575293 | 0.437208228389904 | – | – |
| glucose | – | – | 650817.777777778 | 593938.65 | 1.09576599835316 | 0.422387074170335 | – | – |
| erythrose | – | – | 423.454545454545 | 395.818181818182 | 1.06982085438677 | 0.421774928164903 | – | – |
| ribose | – | – | 1417.66666666667 | 1050.5 | 1.34951610344281 | 0.400763139910098 | – | – |
| hydrocinnamic acid | – | – | 966 | 1256 | 0.769108280254777 | 0.398596266743363 | – | – |
| arachidonic acid | – | – | 13299.0909090909 | 11405 | 1.16607548523375 | 0.395046347735161 | – | – |
| tryptophan | – | – | 126620.909090909 | 139425.727272727 | 0.908160291272708 | 0.390895321684418 | – | – |
| 2-hydroxybutanoic acid | – | – | 46231.1666666667 | 42560.5 | 1.08624585394125 | 0.389464076909449 | – | – |
| glucuronic acid | – | – | 4237 | 2716.27272727273 | 1.55985809431373 | 0.385465489109588 | – | – |
| sorbitol | – | – | 3040.22222222222 | 3537 | 0.859548267521126 | 0.383548302287345 | – | – |
| threonine | – | – | 91013.3636363636 | 98098.9090909091 | 0.92777141437955 | 0.38241713194258 | – | – |
| ribitol | – | – | 711.090909090909 | 845.818181818182 | 0.840713671539123 | 0.379285466264537 | – | – |
| maleimide | – | – | 4922.83333333333 | 4454.55 | 1.10512472266185 | 0.373116009576797 | – | – |
| dihydroabietic acid | – | – | 1534.38888888889 | 1709.85 | 0.897382161528139 | 0.359229699850073 | – | – |
| N-acetyl-D-mannosamine | – | – | 255.555555555556 | 278.25 | 0.918438654287711 | 0.35641054846398 | – | – |
| pseudo uridine | – | – | 5089.18181818182 | 4141.18181818182 | 1.22892015893575 | 0.349691091010606 | – | – |
| azelaic acid | – | – | 545.636363636364 | 4671.45454545455 | 0.116802241855758 | 0.343847393066947 | – | – |
| salicylic acid | – | – | 3811.90909090909 | 19827.8181818182 | 0.192250557068581 | 0.342791773768487 | – | – |
| 1-monoolein | – | – | 5972.11111111111 | 5223.45 | 1.14332694121914 | 0.334897444190374 | – | – |
| glycerol-beta-phosphate | – | – | 350.272727272727 | 336.454545454545 | 1.04106998108619 | 0.333596060178504 | – | – |
| conduritol-beta-epoxide | – | – | 1427.81818181818 | 3062.63636363636 | 0.466205586393185 | 0.332461208088994 | – | – |
| fumaric acid | – | – | 1230.55555555556 | 1140.45 | 1.07900877333996 | 0.331981856513628 | – | – |
| 2-deoxyerythritol | – | – | 5397.38888888889 | 6728.65 | 0.802150340542143 | 0.327679972039854 | – | – |
| 1-monostearin | – | – | 652 | 549.727272727273 | 1.18604266578469 | 0.32647877616044 | – | – |
| citric acid | – | – | 57329.7222222222 | 60598.1 | 0.946064682262682 | 0.32191147398895 | – | – |
| methionine | – | – | 14725.4444444444 | 16198.9 | 0.909039777049333 | 0.321285741767073 | – | – |
| oleic acid | – | – | 12571.4545454545 | 11845.1818181818 | 1.06131376777669 | 0.319754538300005 | – | – |
| biuret | – | – | 867 | 790.909090909091 | 1.09620689655172 | 0.31904818433137 | – | – |
| glycerol | – | – | 67556.5454545455 | 47052.2727272727 | 1.43577645751823 | 0.315444354015058 | – | – |
| alpha-ketoglutaric acid | – | – | 564.090909090909 | 653.545454545455 | 0.863124217554597 | 0.304053298911539 | – | – |
| creatinine | – | – | 30216.1111111111 | 32116.75 | 0.94082094580277 | 0.300334019442507 | – | – |
| glycerol-3-galactoside | – | – | 654.555555555556 | 817.75 | 0.800434797377628 | 0.298839539950642 | – | – |
| 2-hydroxyvaleric acid | – | – | 5808.66666666667 | 5259.4 | 1.10443523342333 | 0.29619340095234 | – | – |
| 5-methoxytryptamine | – | – | 1260.27777777778 | 987.15 | 1.2766831563367 | 0.296135301776567 | – | – |
| gamma-tocopherol | – | – | 2495.5 | 2312.9 | 1.07894850620433 | 0.291111776794206 | – | – |
| sucrose | – | – | 646.722222222222 | 1363.2 | 0.474414775691184 | 0.290885303696457 | – | – |
| 2-oxogluconic acid | – | – | 271.722222222222 | 251.5 | 1.08040645018776 | 0.289328530037008 | – | – |
| fructose | – | – | 88402.3888888889 | 142258.6 | 0.621420349201306 | 0.287652320914467 | – | – |
| methionine | – | – | 10998.6363636364 | 20003.0909090909 | 0.549846841851714 | 0.28589228319165 | – | – |
| cholesterol | – | – | 294290.444444444 | 263529.35 | 1.11672739466949 | 0.283021250765509 | – | – |
| erythrose | – | – | 397.777777777778 | 420.3 | 0.946413937134851 | 0.280643277474905 | – | – |
| uridine | – | – | 234.444444444444 | 215.25 | 1.08917279648987 | 0.278291998357745 | – | – |
| glycerol-beta-phosphate | – | – | 369.944444444444 | 319.15 | 1.15915539540794 | 0.278045268904472 | – | – |
| lignoceric acid | – | – | 1897.72727272727 | 1750.72727272727 | 1.08396510541074 | 0.276547923996968 | – | – |
| phosphoric acid | – | – | 365106.818181818 | 332795.909090909 | 1.09708926164138 | 0.275391748015661 | – | – |
| hypoxanthine | – | – | 14108.1818181818 | 19498.6363636364 | 0.723547101195888 | 0.274349345073662 | – | – |
| succinic acid | – | – | 2800.16666666667 | 3042.3 | 0.920411092484852 | 0.273328499049648 | – | – |
| arabitol | – | – | 5478.55555555556 | 5795.6 | 0.945295664910545 | 0.271579026455138 | – | – |
| gluconic acid | – | – | 1560.63636363636 | 1274.18181818182 | 1.2248144977169 | 0.267198772548514 | – | – |
| alanine | – | – | 494183.5 | 529623.45 | 0.933084628333583 | 0.263749686358265 | – | – |
| N-methylalanine | – | – | 21672.1818181818 | 26046.2727272727 | 0.832064612280941 | 0.263512009904721 | – | – |
| leucine | – | – | 175416.944444444 | 197484.35 | 0.888257446448007 | 0.263466806083795 | – | – |
| salicylic acid | – | – | 12247.4444444444 | 11435.2 | 1.07103019137789 | 0.262530829055946 | – | – |
| 2-deoxyribonic acid | – | – | 225.611111111111 | 292.1 | 0.772376279052075 | 0.260190849718143 | – | – |
| gluconic acid | – | – | 1576.5 | 1274.25 | 1.23719835197175 | 0.259649722162762 | – | – |
| taurine | – | – | 17391.7272727273 | 22016.2727272727 | 0.78994875691121 | 0.258301688823785 | – | – |
| glutamine | – | – | 295018.636363636 | 289568.454545455 | 1.01882173880693 | 0.256450994428876 | – | – |
| tyrosine | – | – | 134942.888888889 | 148722.95 | 0.907344084345347 | 0.255881321170664 | – | – |
| cysteine | – | – | 7816.22222222222 | 9046.7 | 0.86398600840331 | 0.253422813963238 | – | – |
| xylose | – | – | 6184.66666666667 | 3703.45 | 1.66997439324594 | 0.249424600772595 | – | – |
| quinic acid | – | – | 1264.90909090909 | 1499.72727272727 | 0.843426077468631 | 0.233709017153658 | – | – |
| 2,3-dihydroxybutanoic acid | – | – | 782.454545454545 | 602.454545454545 | 1.2987777274785 | 0.2330420036491 | – | – |
| stearic acid | – | – | 275601.272727273 | 233265.090909091 | 1.18149386028225 | 0.226921598140195 | – | – |
| citric acid | – | – | 56664.1818181818 | 61435.7272727273 | 0.922332726145432 | 0.226499380760183 | – | – |
| linoleic acid | – | – | 5687.83333333333 | 4035.35 | 1.40950186063993 | 0.226265544521209 | – | – |
| myristic acid | – | – | 4762.38888888889 | 3867.2 | 1.23148243920379 | 0.225705609455146 | – | – |
| urea | – | – | 666717.727272727 | 584389 | 1.14088000847505 | 0.224605689884092 | – | – |
| beta-mannosylglycerate | – | – | 18067.5454545455 | 16187.1818181818 | 1.11616374347829 | 0.216188978205582 | – | – |
| threitol | – | – | 1619.72727272727 | 1800.63636363636 | 0.899530469026102 | 0.212107925803287 | – | – |
| allo-inositol | – | – | 1443.33333333333 | 2340.65 | 0.616637828523416 | 0.202739522621793 | – | – |
| 2-phenylpropanol | – | – | 2098.27272727273 | 1888.72727272727 | 1.11094532152484 | 0.201608299348426 | – | – |
| capric acid | – | – | 16142.1111111111 | 15372.55 | 1.05006073235157 | 0.197003321526068 | – | – |
| fucoserhamnose | – | – | 4756.81818181818 | 6001.54545454545 | 0.792598876047079 | 0.192688746620392 | – | – |
| 2-hydroxybutanoic acid | – | – | 48482.7272727273 | 40115.8181818182 | 1.20856882571826 | 0.192237621657549 | – | – |
| propane-1,3-diol | – | – | 14301.7222222222 | 12407.35 | 1.15268145270523 | 0.186802093131489 | – | – |
| inosine | – | – | 11433.9444444444 | 14440.4 | 0.791802473923468 | 0.184781521485182 | – | – |
| arachidic acid | – | – | 2981.45454545455 | 2434.18181818182 | 1.22482820436212 | 0.184764199829433 | – | – |
| glutaric acid | – | – | 272.454545454545 | 977.454545454545 | 0.278738839285714 | 0.180830663329578 | – | – |
| kynurenine | – | – | 500.454545454545 | 965.818181818182 | 0.518166415662651 | 0.179519092145741 | – | – |
| trehalose | – | – | 865.090909090909 | 635 | 1.36234788833214 | 0.179495970126482 | – | – |
| xanthine | – | – | 438.636363636364 | 541.818181818182 | 0.809563758389262 | 0.178638035221322 | – | – |
| threonic acid | – | – | 13327.0909090909 | 18239.2727272727 | 0.730681047888672 | 0.178177631086997 | – | – |
| indole-3-acetate | – | – | 3614.61111111111 | 3956.6 | 0.913564957567384 | 0.177311408584345 | – | – |
| arachidonic acid | – | – | 13965.2777777778 | 10900 | 1.28121814475025 | 0.172650261378736 | – | – |
| elaidic acid | – | – | 3969.55555555556 | 2015.4 | 1.96961176717056 | 0.168223026386618 | – | – |
| aspartic acid | – | – | 11554.1818181818 | 21026.1818181818 | 0.549514025803327 | 0.164694894116703 | – | – |
| acetophenone | – | – | 19745.8181818182 | 17455.6363636364 | 1.131200133325 | 0.156638397181 | – | – |
| N-acetyl-D-mannosamine | – | – | 260.727272727273 | 274.181818181818 | 0.950928381962865 | 0.153847296950474 | – | – |
| methanolphosphate | – | – | 5426 | 4759 | 1.14015549485186 | 0.152335504198453 | – | – |
| 1monoolein | – | – | 4842.09090909091 | 6314.09090909091 | 0.766870635663379 | 0.152025093323535 | – | – |
| 1-hexadecanol | – | – | 1598 | 1398.2 | 1.14289801172937 | 0.151229323233792 | – | – |
| benzylalcohol | – | – | 11312.9090909091 | 7672.63636363636 | 1.47444874939277 | 0.149263541062095 | – | – |
| xylulose | – | – | 988.055555555556 | 686.05 | 1.44020924940683 | 0.133576617583883 | – | – |
| oleic acid | – | – | 15337.9444444444 | 9391.95 | 1.63309477205952 | 0.126596215928545 | – | – |
| lauric acid | – | – | 13190.8333333333 | 11519.1 | 1.14512707879377 | 0.122263183882725 | – | – |
| malic acid | – | – | 1149.09090909091 | 1557.81818181818 | 0.737628384687208 | 0.120036056161392 | – | – |
| threonine | – | – | 87262.5555555556 | 101120.55 | 0.86295570539871 | 0.118915364821784 | – | – |
| indole-3-acetate | – | – | 3445.18181818182 | 4144 | 0.831366268866269 | 0.116124706341927 | – | – |
| phosphoethanolamine | – | – | 1087.54545454545 | 1265.45454545455 | 0.85941091954023 | 0.116059319512987 | – | – |
| phosphoric acid | – | – | 365080.222222222 | 334435.4 | 1.09163151455325 | 0.115758547348215 | – | – |
| citrulline | – | – | 5684.18181818182 | 6578.27272727273 | 0.864084244275231 | 0.115016549334893 | – | – |
| 2-oxogluconic acid | – | – | 236.363636363636 | 285.545454545455 | 0.827761859280484 | 0.114693862943854 | – | – |
| xanthine | – | – | 571.722222222222 | 417.15 | 1.37054350287 | 0.108835510947556 | – | – |
| pyrophosphate | – | – | 1431.81818181818 | 1293.63636363636 | 1.10681658468025 | 0.108680737927875 | – | – |
| lactic acid | – | – | 381850.090909091 | 296662.818181818 | 1.2871518353711 | 0.108215451344696 | – | – |
| inositol-4-monophosphate | – | – | 484.545454545455 | 387.363636363636 | 1.25088007509974 | 0.102295818979345 | – | – |
| arachidonic acid isomer | – | – | 6308.77777777778 | 4877.5 | 1.29344495700211 | 0.0981284348677337 | – | – |
| alpha ketoglutaric acid | – | – | 708.5 | 519.3 | 1.36433660697092 | 0.093163819985428 | – | – |
| trans-4-hydroxyproline | – | – | 2208.45454545455 | 1647.18181818182 | 1.34074728185882 | 0.0902603939614545 | – | – |
| octadecanol | – | – | 1579.77777777778 | 1213.75 | 1.30156768508983 | 0.0902420826138097 | – | – |
| palmitoleic acid | – | – | 10490.7777777778 | 5624.1 | 1.86532561259184 | 0.0882440426060529 | – | – |
| malic acid | – | – | 1463.88888888889 | 1254.1 | 1.16728242475791 | 0.0856627899454845 | – | – |
| erythronic acid lactone | – | – | 31082.8181818182 | 36428.5454545455 | 0.853254440823131 | 0.081643207726985 | – | – |
| 3-aminoisobutyric acid | – | – | 8321.77777777778 | 10368.05 | 0.802636732826113 | 0.0799088102817577 | – | – |
| methylhexadecanoic acid | – | – | 6680.5 | 5642.4 | 1.18398199347795 | 0.0785926232571723 | – | – |
| 2-aminoadipic acid | – | – | 378.388888888889 | 429 | 0.882025382025382 | 0.0777617537831733 | – | – |
| betaalanine | – | – | 2094.72727272727 | 1518.36363636364 | 1.37959525805293 | 0.0775283607167587 | – | – |
| 4-hydroxyproline | – | – | 7637.38888888889 | 9685.05 | 0.788575060416713 | 0.0770067712126745 | – | – |
| valine | – | – | 309110.611111111 | 359573.6 | 0.859658804514879 | 0.0753407571079377 | – | – |
| cholesterol | – | – | 296451 | 259749.636363636 | 1.14129514924511 | 0.0701518981601117 | – | – |
| stearic acid | – | – | 273421.222222222 | 237344.3 | 1.15200248003522 | 0.0691859826249125 | – | – |
| monopalmitin-1-glyceride | – | – | 742.277777777778 | 500.6 | 1.48277622408665 | 0.0677326278222739 | – | – |
| glycolic acid | – | – | 3048.09090909091 | 2575.54545454545 | 1.18347393314744 | 0.0663876885674362 | – | – |
| N-methylalanine | – | – | 21216.7777777778 | 26237.85 | 0.808632482378616 | 0.0659840110306113 | – | – |
| threonic acid | – | – | 13104.7222222222 | 18193.75 | 0.720287033856254 | 0.060805959719506 | – | – |
| leucine | – | – | 158494.090909091 | 215568.636363636 | 0.73523724778651 | 0.0551499616450301 | – | – |
| lactic acid | – | – | 380753.333333333 | 301909.2 | 1.26115180767374 | 0.0550012122366418 | – | – |
| xylose | – | – | 3302.81818181818 | 6454.63636363636 | 0.511697018351854 | 0.0542660686253641 | – | – |
| trans-4-hydroxyproline | – | – | 1730.88888888889 | 2104.95 | 0.822294538534829 | 0.0513287101077931 | – | – |
| erythritol | – | – | 2845.09090909091 | 3462.09090909091 | 0.821783998109393 | 0.050892857351902 | – | – |
| palmitic acid | – | – | 53763.0555555556 | 41292.85 | 1.30199430544406 | 0.0471399210156311 | – | – |
| phenylalanine | – | – | 60191.4545454545 | 69059.6363636364 | 0.871586612887939 | 0.0468109416405537 | – | – |
| histidine | – | – | 31053.4545454545 | 36840.1818181818 | 0.842923487693773 | 0.0468013410799662 | – | – |
| lysine | – | – | 159156.444444444 | 179325.4 | 0.887528729585683 | 0.0419849801078089 | – | – |
| glutamine | – | – | 269250.444444444 | 313032.4 | 0.860136025677995 | 0.0381425692470412 | – | – |
| histidine | – | – | 30526.0555555556 | 37025.45 | 0.824461432759239 | 0.0357542588407981 | – | – |
| hydroxycarbamate | – | – | 927.909090909091 | 633.636363636364 | 1.46441893830703 | 0.0339020945685773 | – | – |
| methionine sulfoxide | – | – | 4094.66666666667 | 5455.55 | 0.750550662475216 | 0.0326676000313773 | – | – |
| indole-3-acetate | – | – | 2058.55555555556 | 2571 | 0.800682829854358 | 0.0310543509804516 | – | – |
| aconitic acid | – | – | 427.555555555556 | 510 | 0.838344226579521 | 0.0303872805843328 | – | – |
| octadecanol | – | – | 1627.63636363636 | 1146.45454545455 | 1.41971294901277 | 0.0286091429695406 | – | – |
| adipic acid | – | – | 2055.33333333333 | 2754.8 | 0.746091670296694 | 0.0285907909108603 | – | – |
| glutamic acid | – | – | 39179.2222222222 | 27793.75 | 1.40964145616271 | 0.0260681903386801 | – | – |
| aspartic acid | – | – | 18708.3333333333 | 14113.75 | 1.32553951524813 | 0.0251225289700388 | – | – |
| glycerol | – | – | 66463.1111111111 | 49061.55 | 1.35468836820506 | 0.0233850256123257 | – | – |
| phenylalanine | – | – | 70127.2222222222 | 59673.95 | 1.17517312365316 | 0.018643804448567 | – | – |
| 2-hydroxyvaleric acid | – | – | 5825.81818181818 | 5213.36363636364 | 1.11747781052191 | 0.0177140152008958 | – | – |
| proline | – | – | 216130.727272727 | 326192.818181818 | 0.662585793511423 | 0.0166120549021349 | – | – |
| ethanolamine | – | – | 156214 | 123698.5 | 1.26286090777172 | 0.0155859449122673 | – | – |
| hydroxylamine | – | – | 10725 | 7336.27272727273 | 1.46191402619611 | 0.0135654758673437 | – | – |
| ribose | – | – | 949.272727272727 | 1499.36363636364 | 0.633117079973322 | 0.0134632705470733 | – | – |
| maltose | – | – | 1297.5 | 779.95 | 1.66356817744727 | 0.0131538257068894 | – | – |
| dihydroabietic acid | – | – | 1862.18181818182 | 1391.36363636364 | 1.33838614831754 | 0.0126740612990915 | – | – |
| serine | – | – | 81830.9090909091 | 113067.272727273 | 0.723736472253043 | 0.0104012230242846 | – | – |
| 1-hexadecanol | – | – | 1734.90909090909 | 1250.81818181818 | 1.38701940548005 | 0.00901555221616897 | – | – |
| gamma-tocopherol | – | – | 3330.18181818182 | 1468.72727272727 | 2.26739291903937 | 0.0089795742154945 | – | – |
| alanine | – | – | 449419.272727273 | 576252.636363636 | 0.779899725167891 | 0.00765422852270164 | – | – |
| maleimide | – | – | 5598.54545454545 | 3754.18181818182 | 1.49128244866331 | 0.00632107900808627 | – | – |
| ethanolamine | – | – | 150655 | 127546.181818182 | 1.18118000752669 | 0.00580606030368093 | – | – |
| tryptophan | – | – | 121513.055555556 | 143382.65 | 0.847473913723561 | 0.00508079314680403 | – | – |
| xylulose | – | – | 719.818181818182 | 938.363636363636 | 0.767099399341213 | 0.00444722954717327 | – | – |
| propane-1,3-diol | – | – | 14474.4545454545 | 12135.2727272727 | 1.19275889967638 | 0.00149577401500728 | – | – |
| cysteine-glycine | – | – | 690.363636363636 | 496.181818181818 | 1.39135214364236 | 0.000955314790077478 | – | – |
| Metabolite | Comparative study | Author-emphasized biomarkers | Cutoff value | AUROC (95%CI) | Sensitivity (%) | Specificity (%) | Accuracy (%) |
|---|---|---|---|---|---|---|---|
| behenic acid | – | – | – | – | – | – | – |
| uridine | – | – | – | – | – | – | – |
| 1-monostearin | – | – | – | – | – | – | – |
| linoleic acid | – | – | – | – | – | – | – |
| methioninesulfoxide | – | – | – | – | – | – | – |
| cellobiose | – | – | – | – | – | – | – |
| 4-hydroxyproline | – | – | – | – | – | – | – |
| benzylalcohol | – | – | – | – | – | – | – |
| inulobiose | – | – | – | – | – | – | – |
| erythritol | – | – | – | – | – | – | – |
| cystine | – | – | – | – | – | – | – |
| pelargonic acid | – | – | – | – | – | – | – |
| 2-ketoisocaproic acid | – | – | – | – | – | – | – |
| 2-hydroxyglutaric acid | – | – | – | – | – | – | – |
| phosphoethanolamine | – | – | – | – | – | – | – |
| 2-ketoisocaproic acid | – | – | – | – | – | – | – |
| glutamic acid | – | – | – | – | – | – | – |
| ornithine | – | – | – | – | – | – | – |
| acetophenone | – | – | – | – | – | – | – |
| conduritol-beta-epoxide | – | – | – | – | – | – | – |
| oxoproline | – | – | – | – | – | – | – |
| palmitoleic acid | – | – | – | – | – | – | – |
| myristic acid | – | – | – | – | – | – | – |
| methylhexadecanoic acid | – | – | – | – | – | – | – |
| fructose | – | – | – | – | – | – | – |
| trehalose | – | – | – | – | – | – | – |
| lauric acid | – | – | – | – | – | – | – |
| methanol phosphate | – | – | – | – | – | – | – |
| asparagine | – | – | – | – | – | – | – |
| indole-3-acetate | – | – | – | – | – | – | – |
| monopalmitin-1-glyceride | – | – | – | – | – | – | – |
| pelargonic acid | – | – | – | – | – | – | – |
| maltose | – | – | – | – | – | – | – |
| arachidic acid | – | – | – | – | – | – | – |
| arachidonic acid isomer | – | – | – | – | – | – | – |
| hydrocinnamic acid | – | – | – | – | – | – | – |
| inulobiose | – | – | – | – | – | – | – |
| aconitic acid | – | – | – | – | – | – | – |
| glyceric acid | – | – | – | – | – | – | – |
| urea | – | – | – | – | – | – | – |
| isolinoleic acid | – | – | – | – | – | – | – |
| ornithine | – | – | – | – | – | – | – |
| palmitic acid | – | – | – | – | – | – | – |
| glycolic acid | – | – | – | – | – | – | – |
| isothreonic acid | – | – | – | – | – | – | – |
| succinic acid | – | – | – | – | – | – | – |
| lignoceric acid | – | – | – | – | – | – | – |
| uric acid | – | – | – | – | – | – | – |
| inositolmyo | – | – | – | – | – | – | – |
| citrulline | – | – | – | – | – | – | – |
| ribitol | – | – | – | – | – | – | – |
| inosine | – | – | – | – | – | – | – |
| taurine | – | – | – | – | – | – | – |
| glyceric acid | – | – | – | – | – | – | – |
| isothreonic acid | – | – | – | – | – | – | – |
| isoleucine | – | – | – | – | – | – | – |
| glycine | – | – | – | – | – | – | – |
| arginineornithine | – | – | – | – | – | – | – |
| 5-methoxytryptamine | – | – | – | – | – | – | – |
| creatinine | – | – | – | – | – | – | – |
| quinic acid | – | – | – | – | – | – | – |
| glucuronic acid | – | – | – | – | – | – | – |
| glycerol-alpha-phosphate | – | – | – | – | – | – | – |
| beta-alanine | – | – | – | – | – | – | – |
| serine | – | – | – | – | – | – | – |
| fumaric acid | – | – | – | – | – | – | – |
| benzoic acid | – | – | – | – | – | – | – |
| 2-hydroxyglutaric acid | – | – | – | – | – | – | – |
| 2,3-dihydroxybutanoic acid | – | – | – | – | – | – | – |
| threitol | – | – | – | – | – | – | – |
| aminomalonic acid | – | – | – | – | – | – | – |
| inositol myo- | – | – | – | – | – | – | – |
| 2-deoxyerythritol | – | – | – | – | – | – | – |
| glycerol-3-galactoside | – | – | – | – | – | – | – |
| kynurenine | – | – | – | – | – | – | – |
| oxalic acid | – | – | – | – | – | – | – |
| pseudo uridine | – | – | – | – | – | – | – |
| lysine | – | – | – | – | – | – | – |
| aminomalonic acid | – | – | – | – | – | – | – |
| adipic acid | – | – | – | – | – | – | – |
| sucrose | – | – | – | – | – | – | – |
| oxoproline | – | – | – | – | – | – | – |
| levoglucosan | – | – | – | – | – | – | – |
| oxalic acid | – | – | – | – | – | – | – |
| glycerol-alpha-phosphate | – | – | – | – | – | – | – |
| tocopherol alpha | – | – | – | – | – | – | – |
| glycine | – | – | – | – | – | – | – |
| cystine | – | – | – | – | – | – | – |
| 3-aminoisobutyric acid | – | – | – | – | – | – | – |
| biuret | – | – | – | – | – | – | – |
| valine | – | – | – | – | – | – | – |
| guanosine | – | – | – | – | – | – | – |
| cysteine | – | – | – | – | – | – | – |
| behenic acid | – | – | – | – | – | – | – |
| levoglucosan | – | – | – | – | – | – | – |
| asparagine | – | – | – | – | – | – | – |
| arabitol | – | – | – | – | – | – | – |
| 1,5-anhydroglucitol | – | – | – | – | – | – | – |
| glutaric acid | – | – | – | – | – | – | – |
| 2-deoxyribonic acid | – | – | – | – | – | – | – |
| elaidic acid | – | – | – | – | – | – | – |
| glucose | – | – | – | – | – | – | – |
| proline | – | – | – | – | – | – | – |
| glucose-6-phosphate | – | – | – | – | – | – | – |
| glucose-6-phosphate | – | – | – | – | – | – | – |
| isoleucine | – | – | – | – | – | – | – |
| beta-mannosylglycerate | – | – | – | – | – | – | – |
| capric acid | – | – | – | – | – | – | – |
| isolinoleic acid | – | – | – | – | – | – | – |
| cysteine-glycine | – | – | – | – | – | – | – |
| azelaic acid | – | – | – | – | – | – | – |
| 2-aminoadipic acid | – | – | – | – | – | – | – |
| uric acid | – | – | – | – | – | – | – |
| tocopherol alpha | – | – | – | – | – | – | – |
| hypoxanthine | – | – | – | – | – | – | – |
| xylitol | – | – | – | – | – | – | – |
| 3,6-anhydrogalactose | – | – | – | – | – | – | – |
| sorbitol | – | – | – | – | – | – | – |
| benzoic acid | – | – | – | – | – | – | – |
| erythronic acid lactone | – | – | – | – | – | – | – |
| pyrophosphate | – | – | – | – | – | – | – |
| hydroxylamine | – | – | – | – | – | – | – |
| xylitol | – | – | – | – | – | – | – |
| 2-phenylpropanol | – | – | – | – | – | – | – |
| allo-inositol | – | – | – | – | – | – | – |
| inositol-4-monophosphate | – | – | – | – | – | – | – |
| cellobiose | – | – | – | – | – | – | – |
| hydroxycarbamate | – | – | – | – | – | – | – |
| tyrosine | – | – | – | – | – | – | – |
| 3,6-anhydrogalactose | – | – | – | – | – | – | – |
| guanosine | – | – | – | – | – | – | – |
| 1,5-anhydroglucitol | – | – | – | – | – | – | – |
| glucose | – | – | – | – | – | – | – |
| erythrose | – | – | – | – | – | – | – |
| ribose | – | – | – | – | – | – | – |
| hydrocinnamic acid | – | – | – | – | – | – | – |
| arachidonic acid | – | – | – | – | – | – | – |
| tryptophan | – | – | – | – | – | – | – |
| 2-hydroxybutanoic acid | – | – | – | – | – | – | – |
| glucuronic acid | – | – | – | – | – | – | – |
| sorbitol | – | – | – | – | – | – | – |
| threonine | – | – | – | – | – | – | – |
| ribitol | – | – | – | – | – | – | – |
| maleimide | – | – | – | – | – | – | – |
| dihydroabietic acid | – | – | – | – | – | – | – |
| N-acetyl-D-mannosamine | – | – | – | – | – | – | – |
| pseudo uridine | – | – | – | – | – | – | – |
| azelaic acid | – | – | – | – | – | – | – |
| salicylic acid | – | – | – | – | – | – | – |
| 1-monoolein | – | – | – | – | – | – | – |
| glycerol-beta-phosphate | – | – | – | – | – | – | – |
| conduritol-beta-epoxide | – | – | – | – | – | – | – |
| fumaric acid | – | – | – | – | – | – | – |
| 2-deoxyerythritol | – | – | – | – | – | – | – |
| 1-monostearin | – | – | – | – | – | – | – |
| citric acid | – | – | – | – | – | – | – |
| methionine | – | – | – | – | – | – | – |
| oleic acid | – | – | – | – | – | – | – |
| biuret | – | – | – | – | – | – | – |
| glycerol | – | – | – | – | – | – | – |
| alpha-ketoglutaric acid | – | – | – | – | – | – | – |
| creatinine | – | – | – | – | – | – | – |
| glycerol-3-galactoside | – | – | – | – | – | – | – |
| 2-hydroxyvaleric acid | – | – | – | – | – | – | – |
| 5-methoxytryptamine | – | – | – | – | – | – | – |
| gamma-tocopherol | – | – | – | – | – | – | – |
| sucrose | – | – | – | – | – | – | – |
| 2-oxogluconic acid | – | – | – | – | – | – | – |
| fructose | – | – | – | – | – | – | – |
| methionine | – | – | – | – | – | – | – |
| cholesterol | – | – | – | – | – | – | – |
| erythrose | – | – | – | – | – | – | – |
| uridine | – | – | – | – | – | – | – |
| glycerol-beta-phosphate | – | – | – | – | – | – | – |
| lignoceric acid | – | – | – | – | – | – | – |
| phosphoric acid | – | – | – | – | – | – | – |
| hypoxanthine | – | – | – | – | – | – | – |
| succinic acid | – | – | – | – | – | – | – |
| arabitol | – | – | – | – | – | – | – |
| gluconic acid | – | – | – | – | – | – | – |
| alanine | – | – | – | – | – | – | – |
| N-methylalanine | – | – | – | – | – | – | – |
| leucine | – | – | – | – | – | – | – |
| salicylic acid | – | – | – | – | – | – | – |
| 2-deoxyribonic acid | – | – | – | – | – | – | – |
| gluconic acid | – | – | – | – | – | – | – |
| taurine | – | – | – | – | – | – | – |
| glutamine | – | – | – | – | – | – | – |
| tyrosine | – | – | – | – | – | – | – |
| cysteine | – | – | – | – | – | – | – |
| xylose | – | – | – | – | – | – | – |
| quinic acid | – | – | – | – | – | – | – |
| 2,3-dihydroxybutanoic acid | – | – | – | – | – | – | – |
| stearic acid | – | – | – | – | – | – | – |
| citric acid | – | – | – | – | – | – | – |
| linoleic acid | – | – | – | – | – | – | – |
| myristic acid | – | – | – | – | – | – | – |
| urea | – | – | – | – | – | – | – |
| beta-mannosylglycerate | – | – | – | – | – | – | – |
| threitol | – | – | – | – | – | – | – |
| allo-inositol | – | – | – | – | – | – | – |
| 2-phenylpropanol | – | – | – | – | – | – | – |
| capric acid | – | – | – | – | – | – | – |
| fucoserhamnose | – | – | – | – | – | – | – |
| 2-hydroxybutanoic acid | – | – | – | – | – | – | – |
| propane-1,3-diol | – | – | – | – | – | – | – |
| inosine | – | – | – | – | – | – | – |
| arachidic acid | – | – | – | – | – | – | – |
| glutaric acid | – | – | – | – | – | – | – |
| kynurenine | – | – | – | – | – | – | – |
| trehalose | – | – | – | – | – | – | – |
| xanthine | – | – | – | – | – | – | – |
| threonic acid | – | – | – | – | – | – | – |
| indole-3-acetate | – | – | – | – | – | – | – |
| arachidonic acid | – | – | – | – | – | – | – |
| elaidic acid | – | – | – | – | – | – | – |
| aspartic acid | – | – | – | – | – | – | – |
| acetophenone | – | – | – | – | – | – | – |
| N-acetyl-D-mannosamine | – | – | – | – | – | – | – |
| methanolphosphate | – | – | – | – | – | – | – |
| 1monoolein | – | – | – | – | – | – | – |
| 1-hexadecanol | – | – | – | – | – | – | – |
| benzylalcohol | – | – | – | – | – | – | – |
| xylulose | – | – | – | – | – | – | – |
| oleic acid | – | – | – | – | – | – | – |
| lauric acid | – | – | – | – | – | – | – |
| malic acid | – | – | – | – | – | – | – |
| threonine | – | – | – | – | – | – | – |
| indole-3-acetate | – | – | – | – | – | – | – |
| phosphoethanolamine | – | – | – | – | – | – | – |
| phosphoric acid | – | – | – | – | – | – | – |
| citrulline | – | – | – | – | – | – | – |
| 2-oxogluconic acid | – | – | – | – | – | – | – |
| xanthine | – | – | – | – | – | – | – |
| pyrophosphate | – | – | – | – | – | – | – |
| lactic acid | – | – | – | – | – | – | – |
| inositol-4-monophosphate | – | – | – | – | – | – | – |
| arachidonic acid isomer | – | – | – | – | – | – | – |
| alpha ketoglutaric acid | – | – | – | – | – | – | – |
| trans-4-hydroxyproline | – | – | – | – | – | – | – |
| octadecanol | – | – | – | – | – | – | – |
| palmitoleic acid | – | – | – | – | – | – | – |
| malic acid | – | – | – | – | – | – | – |
| erythronic acid lactone | – | – | – | – | – | – | – |
| 3-aminoisobutyric acid | – | – | – | – | – | – | – |
| methylhexadecanoic acid | – | – | – | – | – | – | – |
| 2-aminoadipic acid | – | – | – | – | – | – | – |
| betaalanine | – | – | – | – | – | – | – |
| 4-hydroxyproline | – | – | – | – | – | – | – |
| valine | – | – | – | – | – | – | – |
| cholesterol | – | – | – | – | – | – | – |
| stearic acid | – | – | – | – | – | – | – |
| monopalmitin-1-glyceride | – | – | – | – | – | – | – |
| glycolic acid | – | – | – | – | – | – | – |
| N-methylalanine | – | – | – | – | – | – | – |
| threonic acid | – | – | – | – | – | – | – |
| leucine | – | – | – | – | – | – | – |
| lactic acid | – | – | – | – | – | – | – |
| xylose | – | – | – | – | – | – | – |
| trans-4-hydroxyproline | – | – | – | – | – | – | – |
| erythritol | – | – | – | – | – | – | – |
| palmitic acid | – | – | – | – | – | – | – |
| phenylalanine | – | – | – | – | – | – | – |
| histidine | – | – | – | – | – | – | – |
| lysine | – | – | – | – | – | – | – |
| glutamine | – | – | – | – | – | – | – |
| histidine | – | – | – | – | – | – | – |
| hydroxycarbamate | – | – | – | – | – | – | – |
| methionine sulfoxide | – | – | – | – | – | – | – |
| indole-3-acetate | – | – | – | – | – | – | – |
| aconitic acid | – | – | – | – | – | – | – |
| octadecanol | – | – | – | – | – | – | – |
| adipic acid | – | – | – | – | – | – | – |
| glutamic acid | – | – | – | – | – | – | – |
| aspartic acid | – | – | – | – | – | – | – |
| glycerol | – | – | – | – | – | – | – |
| phenylalanine | – | – | – | – | – | – | – |
| 2-hydroxyvaleric acid | – | – | – | – | – | – | – |
| proline | – | – | – | – | – | – | – |
| ethanolamine | – | – | – | – | – | – | – |
| hydroxylamine | – | – | – | – | – | – | – |
| ribose | – | – | – | – | – | – | – |
| maltose | – | – | – | – | – | – | – |
| dihydroabietic acid | – | – | – | – | – | – | – |
| serine | – | – | – | – | – | – | – |
| 1-hexadecanol | – | – | – | – | – | – | – |
| gamma-tocopherol | – | – | – | – | – | – | – |
| alanine | – | – | – | – | – | – | – |
| maleimide | – | – | – | – | – | – | – |
| ethanolamine | – | – | – | – | – | – | – |
| tryptophan | – | – | – | – | – | – | – |
| xylulose | – | – | – | – | – | – | – |
| propane-1,3-diol | – | – | – | – | – | – | – |
| cysteine-glycine | – | – | – | – | – | – | – |
Paper graphical summary
