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Citation Information


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
Stageunknown (mostly late stage)I, II, III, IV
Number1811
Gender (M,F)10, 84, 7
Mean age (range) (M,F)67 (50-85) / 62 (53-72)67 (61-73) / 67 (47-76)
Smoking statusformer, currentsmoker, non-smoker
Participants(Control) Type healthy healthy
Number2011
Gender (M,F)8, 125, 6
Mean age (range) (M,F)64 (49-80) / 66 (58-82)69 (61-83) / 54 (44-61)
Smoking statusformer, currentunknown

Data processing and metabolite identification

Data processing software ChromaTOF software (Leco)
Database search UC Davis Metabolomics BinBase database

Statistical analysis

Differential analysis method Analysis of Covariance
Classification method
Survival analysis method

Lung cancer-related metabolites identified in the paper

Metabolite Author-emphasized biomarkers Mean concentration (case) Mean concentration (control) Fold change (case/control) P-value FDR VIP
guanosine 138.611111111111 142.3 0.97 0.56
guanosine 168.727272727273 112.363636363636 1.50 0.44
uridine 218 230.727272727273 0.94 1.00
2-deoxyribonic acid 219 302.090909090909 0.72 0.53
2-deoxyribonic acid 225.611111111111 292.1 0.77 0.26
uridine 234.444444444444 215.25 1.09 0.28
2-oxogluconic acid 236.363636363636 285.545454545455 0.83 0.11
N-acetyl-D-mannosamine 255.555555555556 278.25 0.92 0.36
N-acetyl-D-mannosamine 260.727272727273 274.181818181818 0.95 0.15
2-oxogluconic acid 271.722222222222 251.5 1.08 0.29
glutaric acid 272.454545454545 977.454545454545 0.28 0.18
glycerol-beta-phosphate 350.272727272727 336.454545454545 1.04 0.33
glucose-6-phosphate 359.909090909091 379.272727272727 0.95 0.52
glucose-6-phosphate 366.666666666667 372.25 0.99 0.52
glycerol-beta-phosphate 369.944444444444 319.15 1.16 0.28
2-aminoadipic acid 378.388888888889 429 0.88 0.08
erythrose 397.777777777778 420.3 0.95 0.28
2-aminoadipic acid 407.090909090909 403 1.01 0.50
3,6-anhydrogalactose 411.454545454545 439.363636363636 0.94 0.44
3,6-anhydrogalactose 417.722222222222 432.4 0.97 0.49
erythrose 423.454545454545 395.818181818182 1.07 0.42
aconitic acid 427.555555555556 510 0.84 0.03
xanthine 438.636363636364 541.818181818182 0.81 0.18
inositol-4-monophosphate 447.388888888889 425.65 1.05 0.45
aconitic acid 479.090909090909 462.727272727273 1.04 0.81
inositol-4-monophosphate 484.545454545455 387.363636363636 1.25 0.10
kynurenine 500.454545454545 965.818181818182 0.52 0.18
cysteine-glycine 518.833333333333 660.05 0.79 0.50
azelaic acid 545.636363636364 4671.45454545455 0.12 0.34
alpha-ketoglutaric acid 564.090909090909 653.545454545455 0.86 0.30
xanthine 571.722222222222 417.15 1.37 0.11
isolinoleic acid 575.222222222222 571.65 1.01 0.80
1-monostearin 604 597.8 1.01 1.00
isolinoleic acid 609.272727272727 537.363636363636 1.13 0.51
glutaric acid 635.888888888889 614.75 1.03 0.53
sucrose 646.722222222222 1363.2 0.47 0.29
1-monostearin 652 549.727272727273 1.19 0.33
glycerol-3-galactoside 654.555555555556 817.75 0.80 0.30
monopalmitin-1-glyceride 664.454545454545 565.636363636364 1.17 0.85
2,3-dihydroxybutanoic acid 670.277777777778 712.55 0.94 0.68
cysteine-glycine 690.363636363636 496.181818181818 1.39 9.55e-04
alpha ketoglutaric acid 708.5 519.3 1.36 0.09
ribitol 711.090909090909 845.818181818182 0.84 0.38
kynurenine 714.444444444444 749.9 0.95 0.64
xylulose 719.818181818182 938.363636363636 0.77 4.45e-03
monopalmitin-1-glyceride 742.277777777778 500.6 1.48 0.07
trehalose 758.5 742.55 1.02 0.88
ribitol 765.722222222222 789.9 0.97 0.75
2,3-dihydroxybutanoic acid 782.454545454545 602.454545454545 1.30 0.23
glycerol-3-galactoside 800.181818181818 680.363636363636 1.18 0.65
biuret 807.166666666667 848.7 0.95 0.56
hydroxycarbamate 844.388888888889 723.5 1.17 0.45
trehalose 865.090909090909 635 1.36 0.18
biuret 867 790.909090909091 1.10 0.32
sucrose 895.727272727273 1151.90909090909 0.78 0.63
cellobiose 903.727272727273 942 0.96 0.45
hydroxycarbamate 927.909090909091 633.636363636364 1.46 0.03
cellobiose 946.944444444444 901.2 1.05 0.98
ribose 949.272727272727 1499.36363636364 0.63 0.01
hydrocinnamic acid 966 1256 0.77 0.40
xylulose 988.055555555556 686.05 1.44 0.13
xylitol 1008.18181818182 1218.18181818182 0.83 0.46
5-methoxytryptamine 1034.81818181818 1198.36363636364 0.86 0.70
maltose 1061.45454545455 988.636363636364 1.07 0.82
phosphoethanolamine 1087.54545454545 1265.45454545455 0.86 0.12
hydrocinnamic acid 1108.16666666667 1113.75 0.99 0.81
malic acid 1149.09090909091 1557.81818181818 0.74 0.12
fumaric acid 1203.72727272727 1162.36363636364 1.04 0.68
xylitol 1208.11111111111 1027.75 1.18 0.49
phosphoethanolamine 1214.77777777778 1142.3 1.06 0.93
fumaric acid 1230.55555555556 1140.45 1.08 0.33
pyrophosphate 1241.77777777778 1471.55 0.84 0.46
5-methoxytryptamine 1260.27777777778 987.15 1.28 0.30
quinic acid 1264.90909090909 1499.72727272727 0.84 0.23
maltose 1297.5 779.95 1.66 0.01
allo-inositol 1393 2438.27272727273 0.57 0.46
ribose 1417.66666666667 1050.5 1.35 0.40
conduritol-beta-epoxide 1427.81818181818 3062.63636363636 0.47 0.33
pyrophosphate 1431.81818181818 1293.63636363636 1.11 0.11
allo-inositol 1443.33333333333 2340.65 0.62 0.20
malic acid 1463.88888888889 1254.1 1.17 0.09
levoglucosan 1476.38888888889 3014.4 0.49 0.54
quinic acid 1520.83333333333 1257.5 1.21 0.70
dihydroabietic acid 1534.38888888889 1709.85 0.90 0.36
gluconic acid 1560.63636363636 1274.18181818182 1.22 0.27
gluconic acid 1576.5 1274.25 1.24 0.26
octadecanol 1579.77777777778 1213.75 1.30 0.09
1-hexadecanol 1598 1398.2 1.14 0.15
threitol 1619.72727272727 1800.63636363636 0.90 0.21
octadecanol 1627.63636363636 1146.45454545455 1.42 0.03
trans-4-hydroxyproline 1730.88888888889 2104.95 0.82 0.05
1-hexadecanol 1734.90909090909 1250.81818181818 1.39 9.02e-03
adipic acid 1755.72727272727 3091.27272727273 0.57 0.63
beta-alanine 1797.5 1814.65 0.99 0.70
threitol 1812.11111111111 1618.4 1.12 0.68
lignoceric acid 1819.38888888889 1828.5 1.00 0.78
dihydroabietic acid 1862.18181818182 1391.36363636364 1.34 0.01
lignoceric acid 1897.72727272727 1750.72727272727 1.08 0.28
2-phenylpropanol 1924.94444444444 2055.35 0.94 0.46
adipic acid 2055.33333333333 2754.8 0.75 0.03
indole-3-acetate 2058.55555555556 2571 0.80 0.03
beta-alanine 2094.72727272727 1518.36363636364 1.38 0.08
2-phenylpropanol 2098.27272727273 1888.72727272727 1.11 0.20
behenic acid 2135.27272727273 2155.54545454545 0.99 1.00
inulobiose 2180.90909090909 2210 0.99 0.96
behenic acid 2194.33333333333 2101.4 1.04 0.55
trans-4-hydroxyproline 2208.45454545455 1647.18181818182 1.34 0.09
inulobiose 2278.11111111111 2121.35 1.07 0.81
indole-3-acetate 2340.63636363636 2316.09090909091 1.01 0.86
gamma-tocopherol 2495.5 2312.9 1.08 0.29
azelaic acid 2522.83333333333 2685.9 0.94 0.50
conduritol-beta-epoxide 2527.11111111111 1991.65 1.27 0.91
arachidic acid 2670.5 2741.4 0.97 0.82
levoglucosan 2695.54545454545 1876.18181818182 1.44 0.61
glycolic acid 2792.83333333333 2829.2 0.99 0.79
succinic acid 2800.16666666667 3042.3 0.92 0.27
2-hydroxyglutaric acid 2842 4118.81818181818 0.69 0.68
erythritol 2845.09090909091 3462.09090909091 0.82 0.05
succinic acid 2912.90909090909 2942.27272727273 0.99 0.78
arachidic acid 2981.45454545455 2434.18181818182 1.22 0.18
sorbitol 3040.22222222222 3537 0.86 0.38
glycolic acid 3048.09090909091 2575.54545454545 1.18 0.07
glucuronic acid 3110.27777777778 3806.5 0.82 0.70
erythritol 3187.77777777778 3122.7 1.02 0.96
xylose 3302.81818181818 6454.63636363636 0.51 0.05
gamma-tocopherol 3330.18181818182 1468.72727272727 2.27 8.98e-03
isothreonic acid 3336.72222222222 3483.7 0.96 0.78
2-ketoisocaproic acid 3391.18181818182 3573.18181818182 0.95 0.95
2-hydroxyglutaric acid 3436.05555555556 3520.45 0.98 0.93
isothreonic acid 3438.72727272727 3389.36363636364 1.01 0.73
indole-3-acetate 3445.18181818182 4144 0.83 0.12
2-ketoisocaproic acid 3495.05555555556 3470.75 1.01 0.92
sorbitol 3540.18181818182 3063.27272727273 1.16 0.49
indole-3-acetate 3614.61111111111 3956.6 0.91 0.18
aminomalonic acid 3780.61111111111 4559.65 0.83 0.66
salicylic acid 3811.90909090909 19827.8181818182 0.19 0.34
elaidic acid 3944.81818181818 1937.36363636364 2.04 0.53
elaidic acid 3969.55555555556 2015.4 1.97 0.17
methioninesulfoxide 4094.66666666667 5455.55 0.75 0.03
aminomalonic acid 4157.09090909091 4224.09090909091 0.98 0.64
glucuronic acid 4237 2716.27272727273 1.56 0.39
myristic acid 4617.45454545455 3964.81818181818 1.16 0.90
pseudo uridine 4669.61111111111 4566.15 1.02 0.64
fucoserhamnose 4756.81818181818 6001.54545454545 0.79 0.19
myristic acid 4762.38888888889 3867.2 1.23 0.23
1-monoolein 4842.09090909091 6314.09090909091 0.77 0.15
methioninesulfoxide 4847.45454545455 4774 1.02 0.99
maleimide 4922.83333333333 4454.55 1.11 0.37
methanolphosphate 4945.44444444444 5225.15 0.95 0.86
pseudo uridine 5089.18181818182 4141.18181818182 1.23 0.35
linoleic acid 5261.72727272727 4374.63636363636 1.20 0.99
2-deoxyerythritol 5397.38888888889 6728.65 0.80 0.33
methanolphosphate 5426 4759 1.14 0.15
arabitol 5453.18181818182 5837.81818181818 0.93 0.53
arabitol 5478.55555555556 5795.6 0.95 0.27
maleimide 5598.54545454545 3754.18181818182 1.49 6.32e-03
citrulline 5684.18181818182 6578.27272727273 0.86 0.12
linoleic acid 5687.83333333333 4035.35 1.41 0.23
2-hydroxyvaleric acid 5808.66666666667 5259.4 1.10 0.30
2-deoxyerythritol 5815.36363636364 6380.81818181818 0.91 0.65
2-hydroxyvaleric acid 5825.81818181818 5213.36363636364 1.12 0.02
1-monoolein 5972.11111111111 5223.45 1.14 0.33
arachidonic acid isomer 6028.09090909091 5082.72727272727 1.19 0.82
xylose 6184.66666666667 3703.45 1.67 0.25
citrulline 6277.66666666667 5999.2 1.05 0.76
arachidonic acid isomer 6308.77777777778 4877.5 1.29 0.10
methylhexadecanoic acid 6415.09090909091 5853.27272727273 1.10 0.89
methylhexadecanoic acid 6680.5 5642.4 1.18 0.08
4-hydroxyproline 7637.38888888889 9685.05 0.79 0.08
cysteine 7816.22222222222 9046.7 0.86 0.25
3-aminoisobutyric acid 8321.77777777778 10368.05 0.80 0.08
cysteine 8400.90909090909 8526.72727272727 0.99 0.55
4-hydroxyproline 8552.18181818182 8878.09090909091 0.96 0.98
3-aminoisobutyric acid 8916.72727272727 9881.18181818182 0.90 0.59
benzylalcohol 9034.88888888889 9904.75 0.91 0.97
palmitoleic acid 9374.27272727273 6484.18181818182 1.45 0.90
hydroxylamine 9695.11111111111 8432.35 1.15 0.46
palmitoleic acid 10490.7777777778 5624.1 1.87 0.09
glycerol-alpha-phosphate 10504.2777777778 10069.05 1.04 0.60
glycerol-alpha-phosphate 10686.7272727273 9863.90909090909 1.08 0.70
hydroxylamine 10725 7336.27272727273 1.46 0.01
methionine 10998.6363636364 20003.0909090909 0.55 0.29
benzylalcohol 11312.9090909091 7672.63636363636 1.47 0.15
inosine 11433.9444444444 14440.4 0.79 0.18
aspartic acid 11554.1818181818 21026.1818181818 0.55 0.16
glyceric acid 12132.6111111111 12177.15 1.00 0.73
salicylic acid 12247.4444444444 11435.2 1.07 0.26
glyceric acid 12300.8181818182 12011.3636363636 1.02 0.80
oleic acid 12571.4545454545 11845.1818181818 1.06 0.32
lauric acid 12947.0909090909 11675 1.11 0.86
threonic acid 13104.7222222222 18193.75 0.72 0.06
lauric acid 13190.8333333333 11519.1 1.15 0.12
tocopherol alpha 13260 14672.2 0.90 0.49
arachidonic acid 13299.0909090909 11405 1.17 0.40
threonic acid 13327.0909090909 18239.2727272727 0.73 0.18
asparagine 13549.2727272727 16206.2727272727 0.84 0.54
arachidonic acid 13965.2777777778 10900 1.28 0.17
hypoxanthine 14108.1818181818 19498.6363636364 0.72 0.27
tocopherol alpha 14255.4545454545 13751.0909090909 1.04 0.60
propane-1,3-diol 14301.7222222222 12407.35 1.15 0.19
propane-1,3-diol 14474.4545454545 12135.2727272727 1.19 1.50e-03
asparagine 14487.0555555556 15229.3 0.95 0.86
methionine 14725.4444444444 16198.9 0.91 0.32
inosine 14990.0909090909 11042.3636363636 1.36 0.74
oleic acid 15337.9444444444 9391.95 1.63 0.13
capric acid 16142.1111111111 15372.55 1.05 0.20
hypoxanthine 16294.1666666667 17261.85 0.94 0.49
capric acid 16447.4545454545 15026.6363636364 1.09 0.51
taurine 17391.7272727273 22016.2727272727 0.79 0.26
beta-mannosylglycerate 17683.7222222222 16626.55 1.06 0.51
benzoic acid 17932.8888888889 18974.15 0.95 0.48
beta-mannosylglycerate 18067.5454545455 16187.1818181818 1.12 0.22
acetophenone 18387.3888888889 18792.8 0.98 0.91
aspartic acid 18708.3333333333 14113.75 1.33 0.03
benzoic acid 19276.2727272727 17685.7272727273 1.09 0.68
acetophenone 19745.8181818182 17455.6363636364 1.13 0.16
taurine 19996.1111111111 19441.15 1.03 0.73
N-methylalanine 21216.7777777778 26237.85 0.81 0.07
N-methylalanine 21672.1818181818 26046.2727272727 0.83 0.26
erythronic acid lactone 23480.5 43003.5 0.55 0.47
cystine 24613 23835.05 1.03 0.96
cystine 24883.3636363636 23523.7272727273 1.06 0.59
creatinine 30216.1111111111 32116.75 0.94 0.30
histidine 30526.0555555556 37025.45 0.82 0.04
creatinine 30627 31805.5454545455 0.96 0.70
histidine 31053.4545454545 36840.1818181818 0.84 0.05
erythronic acid lactone 31082.8181818182 36428.5454545455 0.85 0.08
glutamic acid 31486.3636363636 34887.1818181818 0.90 0.91
pelargonic acid 33678.6363636364 35053.3636363636 0.96 0.82
pelargonic acid 34173.3888888889 34539.35 0.99 0.95
inositolmyo 38940.9090909091 39584.6363636364 0.98 0.76
glutamic acid 39179.2222222222 27793.75 1.41 0.03
myo-inositol 41161.4444444444 37554.1 1.10 0.66
2-hydroxybutanoic acid 46231.1666666667 42560.5 1.09 0.39
oxalic acid 48235.0555555556 50490.6 0.96 0.64
2-hydroxybutanoic acid 48482.7272727273 40115.8181818182 1.21 0.19
oxalic acid 50486.8181818182 48357.8181818182 1.04 0.61
palmitic acid 50740.0909090909 43659.3636363636 1.16 0.80
palmitic acid 53763.0555555556 41292.85 1.30 0.05
citric acid 56664.1818181818 61435.7272727273 0.92 0.23
citric acid 57329.7222222222 60598.1 0.95 0.32
phenylalanine 60191.4545454545 69059.6363636364 0.87 0.05
glycerol 66463.1111111111 49061.55 1.35 0.02
glycerol 67556.5454545455 47052.2727272727 1.44 0.32
phenylalanine 70127.2222222222 59673.95 1.18 0.02
serine 81830.9090909091 113067.272727273 0.72 0.01
uric acid 83863.3888888889 84542.4 0.99 0.49
uric acid 84488.0909090909 83953.4545454545 1.01 0.77
threonine 87262.5555555556 101120.55 0.86 0.12
fructose 88402.3888888889 142258.6 0.62 0.29
threonine 91013.3636363636 98098.9090909091 0.93 0.38
1,5-anhydroglucitol 92187.8181818182 88164 1.05 0.53
1,5-anhydroglucitol 95587.3888888889 85305.45 1.12 0.44
serine 97409.6111111111 97484.7 1.00 0.69
isoleucine 109955.111111111 119694.25 0.92 0.51
isoleucine 115073.090909091 115088.818181818 1.00 0.72
fructose 117303 116192.454545455 1.01 0.89
tryptophan 121513.055555556 143382.65 0.85 5.08e-03
tryptophan 126620.909090909 139425.727272727 0.91 0.39
arginineornithine 128983.545454545 127258.363636364 1.01 0.71
tyrosine 134942.888888889 148722.95 0.91 0.26
tyrosine 137603.636363636 146787.454545455 0.94 0.44
ornithine 143616.727272727 145074.545454545 0.99 0.91
ornithine 145808.722222222 143028.95 1.02 0.80
ethanolamine 150655 127546.181818182 1.18 5.81e-03
ethanolamine 156214 123698.5 1.26 0.02
leucine 158494.090909091 215568.636363636 0.74 0.06
lysine 159156.444444444 179325.4 0.89 0.04
lysine 167528.454545455 172015 0.97 0.64
leucine 175416.944444444 197484.35 0.89 0.26
oxoproline 195323.272727273 203595.090909091 0.96 0.90
oxoproline 201697.888888889 197444.35 1.02 0.61
proline 216130.727272727 326192.818181818 0.66 0.02
proline 260510.388888889 280747.85 0.93 0.52
glutamine 269250.444444444 313032.4 0.86 0.04
stearic acid 273421.222222222 237344.3 1.15 0.07
stearic acid 275601.272727273 233265.090909091 1.18 0.23
cholesterol 294290.444444444 263529.35 1.12 0.28
glutamine 295018.636363636 289568.454545455 1.02 0.26
cholesterol 296451 259749.636363636 1.14 0.07
valine 309110.611111111 359573.6 0.86 0.08
valine 321619.454545455 349720.636363636 0.92 0.56
phosphoric acid 365080.222222222 334435.4 1.09 0.12
phosphoric acid 365106.818181818 332795.909090909 1.10 0.28
lactic acid 380753.333333333 301909.2 1.26 0.06
lactic acid 381850.090909091 296662.818181818 1.29 0.11
glycine 402769.166666667 437579 0.92 0.71
alanine 449419.272727273 576252.636363636 0.78 7.65e-03
glycine 476241 365939.181818182 1.30 0.60
alanine 494183.5 529623.45 0.93 0.26
glucose 610872.636363636 630890.090909091 0.97 0.52
urea 620351.333333333 630235.1 0.98 0.80
glucose 650817.777777778 593938.65 1.10 0.42
urea 666717.727272727 584389 1.14 0.22
Metabolite Author-emphasized biomarkers Cutoff value AUROC (95%CI) Sensitivity (%) Specificity (%) Accuracy (%)
guanosine
guanosine
uridine
2-deoxyribonic acid
2-deoxyribonic acid
uridine
2-oxogluconic acid
N-acetyl-D-mannosamine
N-acetyl-D-mannosamine
2-oxogluconic acid
glutaric acid
glycerol-beta-phosphate
glucose-6-phosphate
glucose-6-phosphate
glycerol-beta-phosphate
2-aminoadipic acid
erythrose
2-aminoadipic acid
3,6-anhydrogalactose
3,6-anhydrogalactose
erythrose
aconitic acid
xanthine
inositol-4-monophosphate
aconitic acid
inositol-4-monophosphate
kynurenine
cysteine-glycine
azelaic acid
alpha-ketoglutaric acid
xanthine
isolinoleic acid
1-monostearin
isolinoleic acid
glutaric acid
sucrose
1-monostearin
glycerol-3-galactoside
monopalmitin-1-glyceride
2,3-dihydroxybutanoic acid
cysteine-glycine
alpha ketoglutaric acid
ribitol
kynurenine
xylulose
monopalmitin-1-glyceride
trehalose
ribitol
2,3-dihydroxybutanoic acid
glycerol-3-galactoside
biuret
hydroxycarbamate
trehalose
biuret
sucrose
cellobiose
hydroxycarbamate
cellobiose
ribose
hydrocinnamic acid
xylulose
xylitol
5-methoxytryptamine
maltose
phosphoethanolamine
hydrocinnamic acid
malic acid
fumaric acid
xylitol
phosphoethanolamine
fumaric acid
pyrophosphate
5-methoxytryptamine
quinic acid
maltose
allo-inositol
ribose
conduritol-beta-epoxide
pyrophosphate
allo-inositol
malic acid
levoglucosan
quinic acid
dihydroabietic acid
gluconic acid
gluconic acid
octadecanol
1-hexadecanol
threitol
octadecanol
trans-4-hydroxyproline
1-hexadecanol
adipic acid
beta-alanine
threitol
lignoceric acid
dihydroabietic acid
lignoceric acid
2-phenylpropanol
adipic acid
indole-3-acetate
beta-alanine
2-phenylpropanol
behenic acid
inulobiose
behenic acid
trans-4-hydroxyproline
inulobiose
indole-3-acetate
gamma-tocopherol
azelaic acid
conduritol-beta-epoxide
arachidic acid
levoglucosan
glycolic acid
succinic acid
2-hydroxyglutaric acid
erythritol
succinic acid
arachidic acid
sorbitol
glycolic acid
glucuronic acid
erythritol
xylose
gamma-tocopherol
isothreonic acid
2-ketoisocaproic acid
2-hydroxyglutaric acid
isothreonic acid
indole-3-acetate
2-ketoisocaproic acid
sorbitol
indole-3-acetate
aminomalonic acid
salicylic acid
elaidic acid
elaidic acid
methioninesulfoxide
aminomalonic acid
glucuronic acid
myristic acid
pseudo uridine
fucoserhamnose
myristic acid
1-monoolein
methioninesulfoxide
maleimide
methanolphosphate
pseudo uridine
linoleic acid
2-deoxyerythritol
methanolphosphate
arabitol
arabitol
maleimide
citrulline
linoleic acid
2-hydroxyvaleric acid
2-deoxyerythritol
2-hydroxyvaleric acid
1-monoolein
arachidonic acid isomer
xylose
citrulline
arachidonic acid isomer
methylhexadecanoic acid
methylhexadecanoic acid
4-hydroxyproline
cysteine
3-aminoisobutyric acid
cysteine
4-hydroxyproline
3-aminoisobutyric acid
benzylalcohol
palmitoleic acid
hydroxylamine
palmitoleic acid
glycerol-alpha-phosphate
glycerol-alpha-phosphate
hydroxylamine
methionine
benzylalcohol
inosine
aspartic acid
glyceric acid
salicylic acid
glyceric acid
oleic acid
lauric acid
threonic acid
lauric acid
tocopherol alpha
arachidonic acid
threonic acid
asparagine
arachidonic acid
hypoxanthine
tocopherol alpha
propane-1,3-diol
propane-1,3-diol
asparagine
methionine
inosine
oleic acid
capric acid
hypoxanthine
capric acid
taurine
beta-mannosylglycerate
benzoic acid
beta-mannosylglycerate
acetophenone
aspartic acid
benzoic acid
acetophenone
taurine
N-methylalanine
N-methylalanine
erythronic acid lactone
cystine
cystine
creatinine
histidine
creatinine
histidine
erythronic acid lactone
glutamic acid
pelargonic acid
pelargonic acid
inositolmyo
glutamic acid
myo-inositol
2-hydroxybutanoic acid
oxalic acid
2-hydroxybutanoic acid
oxalic acid
palmitic acid
palmitic acid
citric acid
citric acid
phenylalanine
glycerol
glycerol
phenylalanine
serine
uric acid
uric acid
threonine
fructose
threonine
1,5-anhydroglucitol
1,5-anhydroglucitol
serine
isoleucine
isoleucine
fructose
tryptophan
tryptophan
arginineornithine
tyrosine
tyrosine
ornithine
ornithine
ethanolamine
ethanolamine
leucine
lysine
lysine
leucine
oxoproline
oxoproline
proline
proline
glutamine
stearic acid
stearic acid
cholesterol
glutamine
cholesterol
valine
valine
phosphoric acid
phosphoric acid
lactic acid
lactic acid
glycine
alanine
glycine
alanine
glucose
urea
glucose
urea

Paper graphical summary