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 1246 Organic acids Amino acids and peptides Amino acids
Glutamine 1200 Organic acids Amino acids and peptides Amino acids
Phenylalanine 1199 Organic acids Amino acids and peptides Amino acids
Tyrosine 1169 Organic acids Amino acids and peptides Amino acids
Tryptophan 1130 Organic acids Amino acids and peptides Amino acids
Valine 1129 Organic acids Amino acids and peptides Amino acids
Aspartic acid 1128 Organic acids Amino acids and peptides Amino acids
Proline 1113 Organic acids Amino acids and peptides Amino acids
Lysine 1112 Organic acids Amino acids and peptides Amino acids
Methionine 1104 Organic acids Amino acids and peptides Amino acids
Alanine 1086 Organic acids Amino acids and peptides Amino acids
Serine 1066 Organic acids Amino acids and peptides Amino acids
Leucine 1056 Organic acids Amino acids and peptides Amino acids
Threonine 1021 Organic acids Amino acids and peptides Amino acids
Histidine 1021 Organic acids Amino acids and peptides Amino acids
Succinic acid 1012 Organic acids TCA acids TCA acids
Lactic acid 993 Organic acids Short-chain acids Short-chain acids
Isoleucine 970 Organic acids Amino acids and peptides Amino acids
Glycine 955 Organic acids Amino acids and peptides Amino acids
Asparagine 952 Organic acids Amino acids and peptides Amino acids
Citric acid 951 Organic acids TCA acids TCA acids
Ornithine 943 Organic acids Amino acids and peptides Amino acids
Arginine 915 Organic acids Amino acids and peptides Amino acids
Taurine 879 Organic acids Sulfonic acids Sulfonic acids
Fumaric acid 866 Organic acids TCA acids TCA acids
Hypoxanthine 846 Nucleic acids Purines Hypoxanthines
Citrulline 813 Organic acids Amino acids and peptides Amino acids
Adenosine 809 Nucleic acids Purines Purine ribonucleosides
AMP 789 Nucleic acids Purines Purine rNMP
Inosine 784 Nucleic acids Purines Purine ribonucleosides
Pantothenic acid 779 Organic acids Amino acids and peptides Amino acids
Carnitine 779 Organic nitrogen compounds Carnitines Carnitines
Creatine 773 Organic acids Amino acids and peptides Amino acids
Pyruvic acid 760 Organic acids Short-chain acids Short-chain acids
Pyroglutamic acid 760 Organic acids Amino acids and peptides Amino acids
Glucose 759 Carbohydrates Monosaccharides Hexoses
Palmitic acid 758 Fatty Acyls Fatty acids Saturated FA
Creatinine 758 Organoheterocyclic compounds Azoles Imidazolines
CAR 2:0 726 Fatty Acyls Fatty esters Acyl carnitines
Niacinamide 713 Alkaloids Pyridine alkaloids Nicotinic acid alkaloids
Xanthine 711 Nucleic acids Purines Xanthines
Malic acid 697 Organic acids TCA acids TCA acids
Stearic acid 696 Fatty Acyls Fatty acids Saturated FA
Uric acid 692 Nucleic acids Purines Xanthines
Uridine 690 Nucleic acids Pyrimidines Pyrimidine ribonucleosides
Uracil 671 Nucleic acids Pyrimidines Other pyrimidines
Choline 665 Organic nitrogen compounds Cholines Cholines
Adenine 663 Nucleic acids Purines Aminopurines
sn-Glycero-3-phosphate 633 Organic acids Organic phosphoric acids Organic phosphoric acids
Guanosine 609 Nucleic acids Purines Purine ribonucleosides
Glutathione 602 Organic acids Amino acids and peptides Tripeptides
Linoleic acid 594 Fatty Acyls Fatty acids Unsaturated FA
Myristic acid 592 Fatty Acyls Fatty acids Saturated FA
Cytidine 583 Nucleic acids Pyrimidines Pyrimidine ribonucleosides
Arachidonic acid 578 Fatty Acyls Fatty acids Unsaturated FA
Betaine 572 Organic acids Amino acids and peptides Amino acids
Kynurenine 564 Organic acids Amino acids and peptides Amino acids
Cystine 557 Organic acids Amino acids and peptides Amino acids
Guanine 552 Nucleic acids Purines Hypoxanthines
Pipecolic acid 549 Organic acids Amino acids and peptides Amino acids
Glucose 6-phosphate 549 Carbohydrates Monosaccharides Hexose phosphates
Glyceric acid 542 Carbohydrates Monosaccharides Sugar acids
CAR 3:0 531 Fatty Acyls Fatty esters Acyl carnitines
sn-Glycero-3-phosphocholine 519 Organic acids Organic phosphoric acids Organic phosphoric acids
N-Acetylaspartic acid 517 Organic acids Amino acids and peptides Amino acids
CAR 4:0 516 Fatty Acyls Fatty esters Acyl carnitines
Oleic acid 514 Fatty Acyls Fatty acids Unsaturated FA
beta-Alanine 513 Organic acids Amino acids and peptides Amino acids
Phosphoethanolamine 508 Organic acids Phosphate esters Phosphoethanolamines
2-Hydroxyglutaric acid 507 Fatty Acyls Fatty acids Dicarboxylic acids
LPC 16:0 504 Glycerophospholipids Glycerophosphocholines LPC
Myo-inositol 504 Organic oxygen compounds Alcohols and polyols Inositols
CAR 16:0 490 Fatty Acyls Fatty esters Acyl carnitines
Phosphoenolpyruvic acid 483 Organic acids Short-chain acids Short-chain acids
UMP 481 Nucleic acids Pyrimidines Pyrimidine rNMP
Cytosine 475 Nucleic acids Pyrimidines Pyrimidones
Gluconic acid 462 Carbohydrates Monosaccharides Sugar acids
cis-Aconitic acid 462 Organic acids TCA acids TCA acids
Choline phosphate 461 Organic nitrogen compounds Cholines Cholines
Lauric acid 460 Fatty Acyls Fatty acids Saturated FA
gamma-Aminobutyric acid 456 Fatty Acyls Fatty acids Amino FA
N-Acetylglutamic acid 456 Organic acids Amino acids and peptides Amino acids
Palmitoleic acid 456 Fatty Acyls Fatty acids Unsaturated FA
S-Adenosylhomocysteine 455 Nucleic acids Purines Other purines
3-Phosphoglyceric acid 452 Organic acids Short-chain acids Short-chain acids
IMP 451 Nucleic acids Purines Purine rNMP
Cysteine 443 Organic acids Amino acids and peptides Amino acids
GMP 443 Nucleic acids Purines Purine rNMP
Methionine sulfoxide 441 Organic acids Amino acids and peptides Amino acids
CMP 439 Nucleic acids Pyrimidines Pyrimidine rNMP
5'-Methylthioadenosine 435 Nucleic acids Purines Purine ribonucleosides
LPC 18:1 430 Glycerophospholipids Glycerophosphocholines LPC
Hippuric acid 427 Benzenoids Benzamides Hippuric acids
Phosphoric acid 422 Inorganic compounds Phosphorus inorganic compounds Phosphates
3-Hydroxybutyric acid 422 Fatty Acyls Fatty acids Hydroxy FA
Arachidic acid 421 Fatty Acyls Fatty acids Saturated FA
Allantoin 420 Organoheterocyclic compounds Ureas Ureides
LPC 18:0 419 Glycerophospholipids Glycerophosphocholines LPC
Orotic acid 414 Nucleic acids Pyrimidines Pyrimidine carboxylic acids
Margaric acid 414 Fatty Acyls Fatty acids Saturated FA
Cystathionine 413 Organic acids Amino acids and peptides Amino acids
Spermidine 411 Alkaloids Ornithine alkaloids Polyamines
Carnosine 410 Organic acids Amino acids and peptides Dipeptides
Oxidized glutathione 408 Organic acids Amino acids and peptides Tripeptides
Cholesterol 407 Sterol Lipids Sterols Cholesterols
Putrescine 405 Fatty Acyls Fatty amines Monoalkylamines
CAR 18:1 405 Fatty Acyls Fatty esters Acyl carnitines
ATP 405 Nucleic acids Purines Purine rNTP
CAR 18:0 404 Fatty Acyls Fatty esters Acyl carnitines
Urea 394 Organic acids Organic carbonic acids Ureas
Sucrose 392 Carbohydrates Disaccharides Disaccharides
D-Malic acid 390 Organic acids Hydroxy acids Beta hydroxy acids
Capric acid 387 Fatty Acyls Fatty acids Saturated FA
CAR 12:0 386 Fatty Acyls Fatty esters Acyl carnitines
Xanthosine 385 Nucleic acids Purines Purine ribonucleosides
Fructose 384 Carbohydrates Monosaccharides Hexoses
Guanidoacetic acid 381 Organic acids Amino acids and peptides Amino acids
LPC 18:2 380 Glycerophospholipids Glycerophosphocholines LPC
Urocanic acid 378 Alkaloids Histidine alkaloids Imidazole alkaloids
Thymidine 377 Nucleic acids Pyrimidines Pyrimidine deoxyribonucleosides
Benzoic acid 376 Benzenoids Benzenes Hydroxybenzoic acids
Ribose 374 Carbohydrates Monosaccharides Pentoses
N-Acetylneuraminic acid 373 Carbohydrates Monosaccharides Sugar acids
Glycerol 371 Organic oxygen compounds Alcohols and polyols 1,2-diols
Fructose 1,6-bisphosphate 368 Carbohydrates Monosaccharides Hexose phosphates
CAR 14:0 368 Fatty Acyls Fatty esters Acyl carnitines
LPE 18:0 366 Glycerophospholipids Glycerophosphoethanolamines LPE
UDP-N-acetylglucosamine 366 Nucleic acids Pyrimidines Pyrimidine rNDP
Sorbitol 363 Carbohydrates Monosaccharides Sugar alcohols
Sarcosine 362 Organic acids Amino acids and peptides Amino acids
Thymine 361 Nucleic acids Pyrimidines Other pyrimidines
Kynurenic acid 360 Alkaloids Anthranilic acid alkaloids Acridone alkaloids
CAR 6:0 359 Fatty Acyls Fatty esters Acyl carnitines
4-Pyridoxic acid 358 Alkaloids Pyridine alkaloids Nicotinic acid alkaloids
Serotonin 357 Alkaloids Tryptophan alkaloids Tryptamines
Dimethylarginine 357 Organic acids Amino acids and peptides Amino acids
Hypotaurine 357 Organic acids Sulfinic acids Sulfinic acids
S-Adenosylmethionine 357 Nucleic acids Purines Other purines
Indoleacetic acid 356 Alkaloids Tryptophan alkaloids Indoleacetic acids
CAR 8:0 354 Fatty Acyls Fatty esters Acyl carnitines
LPC 20:4 354 Glycerophospholipids Glycerophosphocholines LPC
N-Acetylornithine 352 Organic acids Amino acids and peptides Amino acids
N-6-Trimethyllysine 351 Organic acids Amino acids and peptides Amino acids
N-Acetylmethionine 350 Organic acids Amino acids and peptides Amino acids
LPC 16:1 349 Glycerophospholipids Glycerophosphocholines LPC
Threonic acid 347 Carbohydrates Monosaccharides Sugar acids
Dimethylglycine 346 Organic acids Amino acids and peptides Amino acids
Sphingosine 344 Sphingolipids Sphingoid bases Sphingosines
Cer 18:1;O2/16:0 343 Sphingolipids Ceramides Cer
LPE 18:1 341 Glycerophospholipids Glycerophosphoethanolamines LPE
Nicotinic acid 341 Alkaloids Pyridine alkaloids Nicotinic acid alkaloids
Azelaic acid 340 Fatty Acyls Fatty acids Dicarboxylic acids
Thiamine 340 Nucleic acids Pyrimidines Thiamines
Ketoleucine 338 Organic acids Keto acids Short-chain keto acids
PC 36:2 337 Glycerophospholipids Glycerophosphocholines PC
Pyridoxal 336 Alkaloids Pyridine alkaloids Nicotinic acid alkaloids
3-Methylhistidine 335 Organic acids Amino acids and peptides Amino acids
Ribose 5-phosphate 334 Carbohydrates Monosaccharides Pentose phosphates
N-Acetylalanine 333 Organic acids Amino acids and peptides Amino acids
PC 34:2 330 Glycerophospholipids Glycerophosphocholines PC
UDP 327 Nucleic acids Pyrimidines Pyrimidine rNDP
PC 32:1 325 Glycerophospholipids Glycerophosphocholines PC
LPE 16:0 325 Glycerophospholipids Glycerophosphoethanolamines LPE
6-Phosphogluconic acid 325 Carbohydrates Monosaccharides Hexose phosphates
CAR 10:0 324 Fatty Acyls Fatty esters Acyl carnitines
Cholic acid 323 Sterol Lipids Bile acids C24 Bile acids
Isocitric acid 322 Organic acids TCA acids TCA acids
2-Hydroxybutyric acid 322 Fatty Acyls Fatty acids Hydroxy FA
Glutaric acid 321 Fatty Acyls Fatty acids Dicarboxylic acids
Glycocholic acid 321 Sterol Lipids Bile acids C24 Bile acids
Vitamin C 320 Organoheterocyclic compounds Lactones Gamma butyrolactones
1-Methyladenosine 319 Nucleic acids Purines Purine ribonucleosides
PC 36:4 315 Glycerophospholipids Glycerophosphocholines PC
PC 38:6 314 Glycerophospholipids Glycerophosphocholines PC
FAD 313 Nucleic acids Flavins Flavin nucleotides
Caprylic acid 309 Fatty Acyls Fatty acids Saturated FA
4-Guanidinobutanoic acid 309 Organic nitrogen compounds Guanidines Guanidines
Pseudouridine 309 Nucleic acids Pyrimidines Pyrimidine ribonucleosides
PC 34:1 308 Glycerophospholipids Glycerophosphocholines PC
Fructose 6-phosphate 307 Carbohydrates Monosaccharides Hexose phosphates
3-Dehydroxycarnitine 306 Fatty Acyls Fatty esters Acyl carnitines
Ethanolamine 306 Organic nitrogen compounds Amines 1,2-aminoalcohols
Deoxycytidine 305 Nucleic acids Pyrimidines Pyrimidine deoxyribonucleosides
CAR 18:2 305 Fatty Acyls Fatty esters Acyl carnitines
LPE 18:2 301 Glycerophospholipids Glycerophosphoethanolamines LPE
PC 32:2 301 Glycerophospholipids Glycerophosphocholines PC
LPC 14:0 301 Glycerophospholipids Glycerophosphocholines LPC
Pelargonic acid 299 Fatty Acyls Fatty acids Saturated FA
PC 36:1 299 Glycerophospholipids Glycerophosphocholines PC
N-Acetylputrescine 299 Alkaloids Ornithine alkaloids Polyamines
LPE 20:4 299 Glycerophospholipids Glycerophosphoethanolamines LPE
PC 32:0 299 Glycerophospholipids Glycerophosphocholines PC
Glycolic acid 297 Fatty Acyls Fatty acids Hydroxy FA
LPC 22:6 297 Glycerophospholipids Glycerophosphocholines LPC
Ureidopropionic acid 297 Organic acids Organic carbonic acids Ureas
Sphinganine 296 Sphingolipids Sphingoid bases Sphinganines
Acetylcholine 295 Organic nitrogen compounds Cholines Acyl cholines
PC 38:4 295 Glycerophospholipids Glycerophosphocholines PC
Phosphocreatine 294 Organic acids Amino acids and peptides Amino acids
Behenic acid 291 Fatty Acyls Fatty acids Saturated FA
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