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 1127 Organic acids Amino acids and peptides Amino acids
Glutamine 1085 Organic acids Amino acids and peptides Amino acids
Phenylalanine 1074 Organic acids Amino acids and peptides Amino acids
Tyrosine 1055 Organic acids Amino acids and peptides Amino acids
Aspartic acid 1024 Organic acids Amino acids and peptides Amino acids
Valine 1022 Organic acids Amino acids and peptides Amino acids
Tryptophan 1008 Organic acids Amino acids and peptides Amino acids
Lysine 1000 Organic acids Amino acids and peptides Amino acids
Proline 999 Organic acids Amino acids and peptides Amino acids
Methionine 985 Organic acids Amino acids and peptides Amino acids
Alanine 981 Organic acids Amino acids and peptides Amino acids
Leucine 953 Organic acids Amino acids and peptides Amino acids
Serine 953 Organic acids Amino acids and peptides Amino acids
Threonine 917 Organic acids Amino acids and peptides Amino acids
Histidine 916 Organic acids Amino acids and peptides Amino acids
Succinic acid 916 Organic acids TCA acids TCA acids
Lactic acid 895 Organic acids Short-chain acids Short-chain acids
Isoleucine 879 Organic acids Amino acids and peptides Amino acids
Glycine 869 Organic acids Amino acids and peptides Amino acids
Citric acid 859 Organic acids TCA acids TCA acids
Asparagine 849 Organic acids Amino acids and peptides Amino acids
Ornithine 842 Organic acids Amino acids and peptides Amino acids
Arginine 810 Organic acids Amino acids and peptides Amino acids
Taurine 785 Organic acids Sulfonic acids Sulfonic acids
Fumaric acid 781 Organic acids TCA acids TCA acids
Hypoxanthine 753 Nucleic acids Purines Hypoxanthines
Adenosine 739 Nucleic acids Purines Purine ribonucleosides
Citrulline 719 Organic acids Amino acids and peptides Amino acids
AMP 717 Nucleic acids Purines Purine rNMP
Inosine 697 Nucleic acids Purines Purine ribonucleosides
Creatine 687 Organic acids Amino acids and peptides Amino acids
Pantothenic acid 687 Organic acids Amino acids and peptides Amino acids
Carnitine 685 Organic nitrogen compounds Carnitines Carnitines
Glucose 680 Carbohydrates Monosaccharides Hexoses
Pyroglutamic acid 676 Organic acids Amino acids and peptides Amino acids
Palmitic acid 674 Fatty Acyls Fatty acids Saturated FA
Pyruvic acid 673 Organic acids Short-chain acids Short-chain acids
Creatinine 673 Organoheterocyclic compounds Azoles Imidazolines
Niacinamide 633 Alkaloids Nicotinic acid alkaloids Pyridine alkaloids
Xanthine 631 Nucleic acids Purines Xanthines
CAR 2:0 623 Fatty Acyls Fatty esters Acyl carnitines
Stearic acid 617 Fatty Acyls Fatty acids Saturated FA
Malic acid 616 Organic acids TCA acids TCA acids
Uric acid 608 Nucleic acids Purines Xanthines
Uridine 607 Nucleic acids Pyrimidines Pyrimidine ribonucleosides
Adenine 600 Nucleic acids Purines Aminopurines
Uracil 595 Nucleic acids Pyrimidines Other pyrimidines
sn-Glycero-3-phosphate 580 Organic acids Organic phosphoric acids Organic phosphoric acids
Choline 574 Organic nitrogen compounds Cholines Cholines
Linoleic acid 541 Fatty Acyls Fatty acids Unsaturated FA
Guanosine 541 Nucleic acids Purines Purine ribonucleosides
Myristic acid 533 Fatty Acyls Fatty acids Saturated FA
Glutathione 533 Organic acids Amino acids and peptides Tripeptides
Arachidonic acid 518 Fatty Acyls Fatty acids Unsaturated FA
Betaine 510 Organic acids Amino acids and peptides Amino acids
Cytidine 508 Nucleic acids Pyrimidines Pyrimidine ribonucleosides
Pipecolic acid 502 Organic acids Amino acids and peptides Amino acids
Glyceric acid 499 Carbohydrates Monosaccharides Sugar acids
Glucose 6-phosphate 494 Carbohydrates Monosaccharides Monosaccharide phosphates
Guanine 487 Nucleic acids Purines Hypoxanthines
Kynurenine 487 Organic acids Amino acids and peptides Amino acids
Cystine 483 Organic acids Amino acids and peptides Amino acids
beta-Alanine 475 Organic acids Amino acids and peptides Amino acids
Oleic acid 472 Fatty Acyls Fatty acids Unsaturated FA
sn-Glycero-3-phosphocholine 463 Organic acids Organic phosphoric acids Organic phosphoric acids
N-Acetylaspartic acid 462 Organic acids Amino acids and peptides Amino acids
Phosphoethanolamine 461 Organic acids Phosphate esters Phosphoethanolamines
LPC 16:0 459 Glycerophospholipids Glycerophosphocholines LPC
CAR 3:0 458 Fatty Acyls Fatty esters Acyl carnitines
2-Hydroxyglutaric acid 457 Fatty Acyls Fatty acids Dicarboxylic acids
Myo-inositol 455 Organic oxygen compounds Alcohols and polyols Inositols
CAR 4:0 446 Fatty Acyls Fatty esters Acyl carnitines
UMP 437 Nucleic acids Pyrimidines Pyrimidine rNMP
Phosphoenolpyruvic acid 435 Organic acids Short-chain acids Short-chain acids
CAR 16:0 431 Fatty Acyls Fatty esters Acyl carnitines
Lauric acid 428 Fatty Acyls Fatty acids Saturated FA
Gluconic acid 426 Carbohydrates Monosaccharides Sugar acids
Choline phosphate 419 Organic nitrogen compounds Cholines Cholines
gamma-Aminobutyric acid 415 Fatty Acyls Fatty acids Amino FA
3-Phosphoglyceric acid 415 Organic acids Short-chain acids Short-chain acids
Cytosine 412 Nucleic acids Pyrimidines Pyrimidones
N-Acetylglutamic acid 410 Organic acids Amino acids and peptides Amino acids
cis-Aconitic acid 407 Organic acids TCA acids TCA acids
S-Adenosylhomocysteine 404 Nucleic acids Purines Other purines
Palmitoleic acid 403 Fatty Acyls Fatty acids Unsaturated FA
IMP 403 Nucleic acids Purines Purine rNMP
5'-Methylthioadenosine 397 Nucleic acids Purines Purine ribonucleosides
CMP 397 Nucleic acids Pyrimidines Pyrimidine rNMP
Cysteine 394 Organic acids Amino acids and peptides Amino acids
Arachidic acid 392 Fatty Acyls Fatty acids Saturated FA
GMP 388 Nucleic acids Purines Purine rNMP
3-Hydroxybutyric acid 387 Fatty Acyls Fatty acids Hydroxy FA
Margaric acid 387 Fatty Acyls Fatty acids Saturated FA
Phosphoric acid 387 Unclassified Unclassified Unclassified
LPC 18:1 386 Glycerophospholipids Glycerophosphocholines LPC
Hippuric acid 385 Polyketides Phenolic acids Phenolic acids
Methionine sulfoxide 383 Organic acids Amino acids and peptides Amino acids
LPC 18:0 380 Glycerophospholipids Glycerophosphocholines LPC
Cholesterol 380 Sterol Lipids Sterols Cholesterols
Spermidine 376 Alkaloids Ornithine alkaloids Polyamines
Allantoin 376 Organoheterocyclic compounds Ureas Ureides
D-Malic acid 373 Organic acids Hydroxy acids Beta hydroxy acids
Cystathionine 372 Organic acids Amino acids and peptides Amino acids
Sucrose 368 Carbohydrates Disaccharides Disaccharides
Putrescine 367 Fatty Acyls Fatty amines Monoalkylamines
ATP 363 Nucleic acids Purines Purine rNTP
Orotic acid 363 Nucleic acids Pyrimidines Pyrimidine carboxylic acids
CAR 18:1 360 Fatty Acyls Fatty esters Acyl carnitines
Carnosine 359 Organic acids Amino acids and peptides Dipeptides
Capric acid 355 Fatty Acyls Fatty acids Saturated FA
Urea 354 Organic acids Organic carbonic acids Ureas
Urocanic acid 352 Alkaloids Histidine alkaloids Imidazole alkaloids
Fructose 352 Carbohydrates Monosaccharides Hexoses
CAR 18:0 352 Fatty Acyls Fatty esters Acyl carnitines
Oxidized glutathione 347 Organic acids Amino acids and peptides Tripeptides
Glycerol 347 Organic oxygen compounds Alcohols and polyols 1,2-diols
Benzoic acid 347 Polyketides Phenolic acids Phenolic acids
CAR 12:0 345 Fatty Acyls Fatty esters Acyl carnitines
LPC 18:2 343 Glycerophospholipids Glycerophosphocholines LPC
Ribose 342 Carbohydrates Monosaccharides Pentoses
Xanthosine 342 Nucleic acids Purines Purine ribonucleosides
N-Acetylneuraminic acid 338 Carbohydrates Monosaccharides Sugar acids
UDP-N-acetylglucosamine 333 Nucleic acids Pyrimidines Pyrimidine rNDP
Fructose 1,6-bisphosphate 330 Carbohydrates Monosaccharides Monosaccharide phosphates
LPE 18:0 330 Glycerophospholipids Glycerophosphoethanolamines LPE
Guanidoacetic acid 330 Organic acids Amino acids and peptides Amino acids
Sarcosine 329 Organic acids Amino acids and peptides Amino acids
Sorbitol 328 Carbohydrates Monosaccharides Sugar alcohols
CAR 14:0 325 Fatty Acyls Fatty esters Acyl carnitines
Thymidine 325 Nucleic acids Pyrimidines Pyrimidine deoxyribonucleosides
4-Pyridoxic acid 321 Alkaloids Nicotinic acid alkaloids Pyridine alkaloids
Kynurenic acid 320 Alkaloids Anthranilic acid alkaloids Acridone alkaloids
Serotonin 320 Alkaloids Tryptophan alkaloids Tryptamines
Threonic acid 320 Carbohydrates Monosaccharides Sugar acids
LPC 20:4 320 Glycerophospholipids Glycerophosphocholines LPC
Hypotaurine 318 Organic acids Sulfinic acids Sulfinic acids
Indoleacetic acid 317 Alkaloids Tryptophan alkaloids Indoleacetic acids
Azelaic acid 315 Fatty Acyls Fatty acids Dicarboxylic acids
N-Acetylmethionine 315 Organic acids Amino acids and peptides Amino acids
Ketoleucine 315 Organic acids Keto acids Short-chain keto acids
PC 36:2 313 Glycerophospholipids Glycerophosphocholines PC
CAR 8:0 312 Fatty Acyls Fatty esters Acyl carnitines
LPC 16:1 312 Glycerophospholipids Glycerophosphocholines LPC
N-Acetylornithine 312 Organic acids Amino acids and peptides Amino acids
CAR 6:0 311 Fatty Acyls Fatty esters Acyl carnitines
S-Adenosylmethionine 310 Nucleic acids Purines Other purines
Ribose 5-phosphate 309 Carbohydrates Monosaccharides Monosaccharide phosphates
Thymine 309 Nucleic acids Pyrimidines Other pyrimidines
Sphingosine 306 Sphingolipids Sphingoid bases Sphingosines
Nicotinic acid 305 Alkaloids Nicotinic acid alkaloids Pyridine alkaloids
PC 34:2 305 Glycerophospholipids Glycerophosphocholines PC
Dimethylarginine 305 Organic acids Amino acids and peptides Amino acids
N-6-Trimethyllysine 303 Organic acids Amino acids and peptides Amino acids
3-Methylhistidine 302 Organic acids Amino acids and peptides Amino acids
LPE 18:1 300 Glycerophospholipids Glycerophosphoethanolamines LPE
6-Phosphogluconic acid 299 Carbohydrates Monosaccharides Monosaccharide phosphates
Dimethylglycine 299 Organic acids Amino acids and peptides Amino acids
2-Hydroxybutyric acid 297 Fatty Acyls Fatty acids Hydroxy FA
Glycocholic acid 297 Sterol Lipids Bile acids C24 Bile acids
Glutaric acid 296 Fatty Acyls Fatty acids Dicarboxylic acids
N-Acetylalanine 296 Organic acids Amino acids and peptides Amino acids
PC 32:1 295 Glycerophospholipids Glycerophosphocholines PC
CAR 10:0 293 Fatty Acyls Fatty esters Acyl carnitines
Isocitric acid 292 Organic acids TCA acids TCA acids
LPE 16:0 291 Glycerophospholipids Glycerophosphoethanolamines LPE
UDP 291 Nucleic acids Pyrimidines Pyrimidine rNDP
Pyridoxal 289 Alkaloids Nicotinic acid alkaloids Pyridine alkaloids
PC 36:4 289 Glycerophospholipids Glycerophosphocholines PC
Cholic acid 289 Sterol Lipids Bile acids C24 Bile acids
Cer 18:1;O2/16:0 288 Sphingolipids Ceramides Cer
PC 38:6 287 Glycerophospholipids Glycerophosphocholines PC
Thiamine 286 Nucleic acids Pyrimidines Thiamines
Ethanolamine 286 Organic nitrogen compounds Amines 1,2-aminoalcohols
Vitamin C 286 Organoheterocyclic compounds Lactones Gamma butyrolactones
Fructose 6-phosphate 281 Carbohydrates Monosaccharides Monosaccharide phosphates
Caprylic acid 281 Fatty Acyls Fatty acids Saturated FA
4-Guanidinobutanoic acid 281 Organic acids Amino acids and peptides Amino acids
Glycolic acid 280 Fatty Acyls Fatty acids Hydroxy FA
Pelargonic acid 280 Fatty Acyls Fatty acids Saturated FA
PC 34:1 280 Glycerophospholipids Glycerophosphocholines PC
1-Methyladenosine 277 Nucleic acids Purines Purine ribonucleosides
Pseudouridine 277 Nucleic acids Pyrimidines Pyrimidine ribonucleosides
FAD 275 Nucleic acids Flavins Flavin nucleotides
CAR 18:2 273 Fatty Acyls Fatty esters Acyl carnitines
PC 32:2 273 Glycerophospholipids Glycerophosphocholines PC
PC 36:1 273 Glycerophospholipids Glycerophosphocholines PC
N-Acetylputrescine 272 Alkaloids Ornithine alkaloids Polyamines
3-Dehydroxycarnitine 272 Fatty Acyls Fatty esters Acyl carnitines
PC 32:0 272 Glycerophospholipids Glycerophosphocholines PC
LPC 14:0 270 Glycerophospholipids Glycerophosphocholines LPC
PC 38:4 270 Glycerophospholipids Glycerophosphocholines PC
Behenic acid 269 Fatty Acyls Fatty acids Saturated FA
LPE 18:2 269 Glycerophospholipids Glycerophosphoethanolamines LPE
LPE 20:4 269 Glycerophospholipids Glycerophosphoethanolamines LPE
PC 30:0 268 Glycerophospholipids Glycerophosphocholines PC
PC 34:3 268 Glycerophospholipids Glycerophosphocholines PC
LPC 22:6 267 Glycerophospholipids Glycerophosphocholines LPC
PC 36:3 267 Glycerophospholipids Glycerophosphocholines PC
PC 38:5 265 Glycerophospholipids Glycerophosphocholines PC
Deoxycytidine 265 Nucleic acids Pyrimidines Pyrimidine deoxyribonucleosides
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