MetStat: Summary table of metabolites most frequently reported in NMDR studies

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Refmet Name Studies Super Class Main Class Sub Class
Glutamic acid 452 Organic acids Amino acids and peptides Amino acids
Tyrosine 441 Organic acids Amino acids and peptides Amino acids
Phenylalanine 437 Organic acids Amino acids and peptides Amino acids
Glutamine 435 Organic acids Amino acids and peptides Amino acids
Valine 428 Organic acids Amino acids and peptides Amino acids
Aspartic acid 423 Organic acids Amino acids and peptides Amino acids
Proline 413 Organic acids Amino acids and peptides Amino acids
Lysine 407 Organic acids Amino acids and peptides Amino acids
Malic acid 404 Organic acids TCA acids TCA acids
Tryptophan 395 Organic acids Amino acids and peptides Amino acids
Methionine 394 Organic acids Amino acids and peptides Amino acids
Isoleucine 392 Organic acids Amino acids and peptides Amino acids
Alanine 390 Organic acids Amino acids and peptides Amino acids
Serine 384 Organic acids Amino acids and peptides Amino acids
Citric acid 377 Organic acids TCA acids TCA acids
Leucine 371 Organic acids Amino acids and peptides Amino acids
Threonine 367 Organic acids Amino acids and peptides Amino acids
Lactic acid 365 Organic acids Short-chain acids Short-chain acids
Succinic acid 363 Organic acids TCA acids TCA acids
Glycine 354 Organic acids Amino acids and peptides Amino acids
Histidine 352 Organic acids Amino acids and peptides Amino acids
Ornithine 335 Organic acids Amino acids and peptides Amino acids
Asparagine 328 Organic acids Amino acids and peptides Amino acids
Fumaric acid 324 Organic acids TCA acids TCA acids
Stearic acid 320 Fatty Acyls Fatty acids Saturated FA
Oleic acid 319 Fatty Acyls Fatty acids Unsaturated FA
Taurine 313 Organic acids Sulfonic acids Sulfonic acids
Palmitic acid 310 Fatty Acyls Fatty acids Saturated FA
AMP 305 Nucleic acids Purines Purine ribonucleoside monophosphates
Arginine 295 Organic acids Amino acids and peptides Amino acids
Hypoxanthine 279 Nucleic acids Purines Hypoxanthines
Pyroglutamic acid 273 Organoheterocyclic compounds Pyrroline carboxylic acids Pyrroline carboxylic acids
Oxoglutaric acid 270 Organic acids TCA acids TCA acids
Creatinine 266 Organoheterocyclic compounds Azolines Imidazolines
Glucose 262 Carbohydrates Monosaccharides Monosaccharides
Citrulline 260 Organic acids Amino acids and peptides Amino acids
LPC 16:0 255 Glycerophospholipids Glycerophosphocholines LPC
Pyruvic acid 254 Organic acids Short-chain acids Short-chain acids
Myristic acid 249 Fatty Acyls Fatty acids Saturated FA
Pantothenic acid 248 Organic acids Amino acids and peptides Amino acids
Uric acid 244 Nucleic acids Purines Xanthines
Uridine 242 Nucleic acids Pyrimidines Pyrimidine ribonucleosides
Inosine 239 Nucleic acids Purines Purine ribonucleosides
Carnitine 238 Organic nitrogen compounds Carnitines Carnitines
Palmitoleic acid 238 Fatty Acyls Fatty acids Unsaturated FA
Linoleic acid 236 Fatty Acyls Fatty acids Unsaturated FA
Arachidonic acid 235 Fatty Acyls Fatty acids Unsaturated FA
Xanthine 232 Nucleic acids Purines Xanthines
Creatine 226 Organic acids Amino acids and peptides Amino acids
Glyceric acid 222 Carbohydrates Monosaccharides Sugar acids
sn-Glycero-3-phosphate 220 Organic acids Organic phosphoric acids Organic phosphoric acids
Niacinamide 218 Organoheterocyclic compounds Pyridinecarboxylic acids Nicotinamides
Adenosine 218 Nucleic acids Purines Purine ribonucleosides
Glucose 6-phosphate 212 Carbohydrates Monosaccharides Monosaccharide phosphates
Adenine 212 Nucleic acids Purines 6-aminopurines
LPC 18:0 211 Glycerophospholipids Glycerophosphocholines LPC
Sucrose 211 Carbohydrates Disaccharides Disaccharides
Myo-inositol 210 Organic oxygen compounds Alcohols and polyols Inositols
Arachidic acid 207 Fatty Acyls Fatty acids Saturated FA
Cholesterol 206 Sterol Lipids Sterols Cholesterols
Uracil 205 Nucleic acids Pyrimidines Pyrimidines
LPC 18:1 203 Glycerophospholipids Glycerophosphocholines LPC
beta-Alanine 199 Organic acids Amino acids and peptides Amino acids
Pipecolic acid 198 Organic acids Amino acids and peptides Amino acids
Lauric acid 197 Fatty Acyls Fatty acids Saturated FA
3-Phosphoglyceric acid 195 Organic acids Short-chain acids Short-chain acids
Choline 194 Organic nitrogen compounds Cholines Cholines
Margaric acid 190 Fatty Acyls Fatty acids Saturated FA
Phosphoethanolamine 188 Organic acids Phosphate esters Phosphoethanolamines
Guanosine 186 Nucleic acids Purines Purine ribonucleosides
Benzoic acid 183 Benzenoids Benzoic acids Benzoic acids
Gluconic acid 182 Carbohydrates Monosaccharides Sugar acids
Guanine 180 Nucleic acids Purines Hypoxanthines
ADP 180 Nucleic acids Purines Purine ribonucleoside diphosphates
Cystine 179 Organic acids Amino acids and peptides Amino acids
LPE 18:0 178 Glycerophospholipids Glycerophosphoethanolamines LPE
LPC 18:2 177 Glycerophospholipids Glycerophosphocholines LPC
Urea 177 Organic acids Carboximidic acids Isoureas
Glutathione 176 Organic acids Amino acids and peptides Peptides
Phosphoric acid 175 Homogeneous non-metal compounds Non-metal phosphates Non-metal phosphates
Behenic acid 175 Fatty Acyls Fatty acids Saturated FA
Kynurenine 172 Organic oxygen compounds Butyrophenones Butyrophenones
Glycerol 171 Carbohydrates Monosaccharides Sugar alcohols
gamma-Aminobutyric acid 169 Fatty Acyls Fatty acids Amino FA
Ethanolamine 169 Organic nitrogen compounds Alkanolamines 1,2-aminoalcohols
NAD+ 167 Nucleic acids Nicotinamides Nicotinamide dinucleotides
LPE 18:1 166 Glycerophospholipids Glycerophosphoethanolamines LPE
2-Hydroxyglutaric acid 165 Fatty Acyls Fatty acids Hydroxy FA
N-Acetylaspartic acid 162 Organic acids Amino acids and peptides Amino acids
LPC 16:1 161 Glycerophospholipids Glycerophosphocholines LPC
Betaine 161 Organic acids Amino acids and peptides Amino acids
Spermidine 161 Organic nitrogen compounds Amines Dialkylamines
PC 34:2 158 Glycerophospholipids Glycerophosphocholines PC
LPC 20:4 158 Glycerophospholipids Glycerophosphocholines LPC
Capric acid 158 Fatty Acyls Fatty acids Saturated FA
Fructose 157 Carbohydrates Monosaccharides Monosaccharides
Ribose 156 Carbohydrates Monosaccharides Monosaccharides
LPE 16:0 156 Glycerophospholipids Glycerophosphoethanolamines LPE
Putrescine 155 Fatty Acyls Fatty amines Monoalkylamines
Phosphoenolpyruvic acid 155 Organic acids Short-chain acids Short-chain acids
Isocitric acid 154 Organic acids TCA acids TCA acids
Aminoadipic acid 154 Fatty Acyls Fatty acids Dicarboxylic acids
5'-Methylthioadenosine 154 Nucleic acids Purines Purine ribonucleosides
Ribose 5-phosphate 153 Carbohydrates Monosaccharides Monosaccharide phosphates
sn-Glycero-3-phosphocholine 153 Organic acids Organic phosphoric acids Organic phosphoric acids
LPE 20:4 153 Glycerophospholipids Glycerophosphoethanolamines LPE
Glycolic acid 151 Fatty Acyls Fatty acids Hydroxy FA
Choline phosphate 150 Organic nitrogen compounds Cholines Cholines
Pelargonic acid 150 Fatty Acyls Fatty acids Saturated FA
PC 34:1 150 Glycerophospholipids Glycerophosphocholines PC
PC 32:1 149 Glycerophospholipids Glycerophosphocholines PC
PC 32:0 148 Glycerophospholipids Glycerophosphocholines PC
PC 36:2 148 Glycerophospholipids Glycerophosphocholines PC
UMP 146 Nucleic acids Pyrimidines Pyrimidine ribonucleoside monophosphates
Cytidine 145 Nucleic acids Pyrimidines Pyrimidine ribonucleosides
Ketoleucine 145 Organic acids Keto acids Short-chain keto acids
Cysteine 145 Organic acids Amino acids and peptides Amino acids
N-Acetylglutamic acid 144 Organic acids Amino acids and peptides Amino acids
PC 38:4 144 Glycerophospholipids Glycerophosphocholines PC
Hippuric acid 142 Benzenoids Benzamides Hippuric acids
PC 36:4 141 Glycerophospholipids Glycerophosphocholines PC
PC 38:6 141 Glycerophospholipids Glycerophosphocholines PC
Lignoceric acid 140 Fatty Acyls Fatty acids Saturated FA
LPC 14:0 140 Glycerophospholipids Glycerophosphocholines LPC
PC 36:1 138 Glycerophospholipids Glycerophosphocholines PC
PC 40:6 138 Glycerophospholipids Glycerophosphocholines PC
cis-Aconitic acid 137 Organic acids TCA acids TCA acids
ATP 137 Nucleic acids Purines Purine ribonucleoside triphosphates
PC 38:5 137 Glycerophospholipids Glycerophosphocholines PC
PC 36:3 137 Glycerophospholipids Glycerophosphocholines PC
LPE 18:2 136 Glycerophospholipids Glycerophosphoethanolamines LPE
2-Hydroxybutyric acid 136 Fatty Acyls Fatty acids Hydroxy FA
PE 36:2 136 Glycerophospholipids Glycerophosphoethanolamines PE
PC 32:2 135 Glycerophospholipids Glycerophosphocholines PC
Glutaric acid 135 Fatty Acyls Fatty acids Dicarboxylic acids
PC 34:3 133 Glycerophospholipids Glycerophosphocholines PC
6-Phosphogluconic acid 133 Carbohydrates Monosaccharides Monosaccharide phosphates
PC 30:0 133 Glycerophospholipids Glycerophosphocholines PC
CMP 132 Nucleic acids Pyrimidines Pyrimidine ribonucleoside monophosphates
IMP 131 Nucleic acids Purines Purine ribonucleoside monophosphates
Fructose 1,6-bisphosphate 131 Carbohydrates Monosaccharides Monosaccharide phosphates
PE 38:4 130 Glycerophospholipids Glycerophosphoethanolamines PE
PE 38:6 128 Glycerophospholipids Glycerophosphoethanolamines PE
Docosahexaenoic acid 127 Fatty Acyls Fatty acids Unsaturated FA
TG 50:2 127 Glycerolipids Triradylglycerols TAG
TG 52:1 127 Glycerolipids Triradylglycerols TAG
TG 52:4 126 Glycerolipids Triradylglycerols TAG
LPE 22:6 126 Glycerophospholipids Glycerophosphoethanolamines LPE
S-Adenosylhomocysteine 126 Carbohydrates Glycosyl compounds Glycosylamines
GMP 126 Nucleic acids Purines Purine ribonucleoside monophosphates
PE 36:4 125 Glycerophospholipids Glycerophosphoethanolamines PE
PE 34:2 125 Glycerophospholipids Glycerophosphoethanolamines PE
Methionine sulfoxide 125 Organic acids Amino acids and peptides Amino acids
PE P-38:4/PE O-38:5 125 Glycerophospholipids Glycerophosphoethanolamines O-PE
Cystathionine 124 Organic acids Amino acids and peptides Amino acids
Oxalic acid 124 Fatty Acyls Fatty acids Dicarboxylic acids
D-Threonic acid 124 Carbohydrates Monosaccharides Sugar acids
TG 52:3 124 Glycerolipids Triradylglycerols TAG
TG 48:1 124 Glycerolipids Triradylglycerols TAG
Orotic acid 124 Nucleic acids Pyrimidines Pyrimidinecarboxylic acids
TG 50:1 124 Glycerolipids Triradylglycerols TAG
PC 38:2 123 Glycerophospholipids Glycerophosphocholines PC
Cytosine 123 Nucleic acids Pyrimidines Pyrimidones
Cholic acid 123 Sterol Lipids Bile acids C24 bile acids
Sorbitol 122 Carbohydrates Monosaccharides Sugar alcohols
Allantoin 122 Organoheterocyclic compounds Ureas Ureides
TG 54:5 122 Glycerolipids Triradylglycerols TAG
TG 52:2 122 Glycerolipids Triradylglycerols TAG
TG 54:2 122 Glycerolipids Triradylglycerols TAG
TG 54:6 122 Glycerolipids Triradylglycerols TAG
SM 42:2;O2 122 Sphingolipids Sphingomyelins SM
MG 18:1 122 Glycerolipids Monoradylglycerols MAG
TG 48:2 122 Glycerolipids Triradylglycerols TAG
TG 54:4 122 Glycerolipids Triradylglycerols TAG
Sarcosine 122 Organic acids Amino acids and peptides Amino acids
PC 38:3 121 Glycerophospholipids Glycerophosphocholines PC
CAR 16:0 121 Fatty Acyls Fatty esters Acyl carnitines
SM 34:2;O2 120 Sphingolipids Sphingomyelins SM
3-Methylhistidine 120 Organic acids Amino acids and peptides Amino acids
CAR 2:0 120 Fatty Acyls Fatty esters Short-chain acyl carnitines
TG 52:5 120 Glycerolipids Triradylglycerols TAG
TG 50:3 119 Glycerolipids Triradylglycerols TAG
Carnosine 119 Organic acids Amino acids and peptides Hybrid peptides
PE P-36:4/PE O-36:5 118 Glycerophospholipids Glycerophosphoethanolamines O-PE
Sedoheptulose 7-phosphate 118 Carbohydrates Monosaccharides Monosaccharide phosphates
PC 40:7 118 Glycerophospholipids Glycerophosphocholines PC
PE 36:3 118 Glycerophospholipids Glycerophosphoethanolamines PE
PE 36:1 118 Glycerophospholipids Glycerophosphoethanolamines PE
TG 54:3 118 Glycerolipids Triradylglycerols TAG
LPC 20:3 118 Glycerophospholipids Glycerophosphocholines LPC
PC 40:5 118 Glycerophospholipids Glycerophosphocholines PC
CE 18:1 117 Sterol Lipids Sterol esters Chol. esters
Glycocholic acid 117 Sterol Lipids Bile acids C24 bile acids
TG 54:1 117 Glycerolipids Triradylglycerols TAG
Thymine 117 Nucleic acids Pyrimidines Pyrimidines
Azelaic acid 117 Fatty Acyls Fatty acids Dicarboxylic acids
Urocanic acid 116 Organoheterocyclic compounds Imidazoles Imidazolyl carboxylic acids
Nicotinic acid 116 Organoheterocyclic compounds Pyridines Pyridinecarboxylic acids
SM 32:1;O2 116 Sphingolipids Sphingomyelins SM
4-Pyridoxic acid 116 Organoheterocyclic compounds Pyridines Pyridinecarboxylic acids
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