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 1570 Organic acids Amino acids and peptides Amino acids
Glutamine 1523 Organic acids Amino acids and peptides Amino acids
Phenylalanine 1522 Organic acids Amino acids and peptides Amino acids
Tyrosine 1482 Organic acids Amino acids and peptides Amino acids
Aspartic acid 1425 Organic acids Amino acids and peptides Amino acids
Valine 1423 Organic acids Amino acids and peptides Amino acids
Tryptophan 1418 Organic acids Amino acids and peptides Amino acids
Proline 1409 Organic acids Amino acids and peptides Amino acids
Methionine 1404 Organic acids Amino acids and peptides Amino acids
Lysine 1403 Organic acids Amino acids and peptides Amino acids
Alanine 1372 Organic acids Amino acids and peptides Amino acids
Serine 1356 Organic acids Amino acids and peptides Amino acids
Succinic acid 1296 Organic acids TCA acids TCA acids
Threonine 1294 Organic acids Amino acids and peptides Amino acids
Histidine 1291 Organic acids Amino acids and peptides Amino acids
Leucine 1276 Organic acids Amino acids and peptides Amino acids
Lactic acid 1271 Organic acids Short-chain acids Short-chain acids
Malic acid 1248 Organic acids TCA acids TCA acids
Isoleucine 1222 Organic acids Amino acids and peptides Amino acids
Asparagine 1216 Organic acids Amino acids and peptides Amino acids
Glycine 1214 Organic acids Amino acids and peptides Amino acids
Arginine 1209 Organic acids Amino acids and peptides Amino acids
Ornithine 1185 Organic acids Amino acids and peptides Amino acids
Citric acid 1177 Organic acids TCA acids TCA acids
Taurine 1118 Organic acids Sulfonic acids Sulfonic acids
Fumaric acid 1090 Organic acids TCA acids TCA acids
Hypoxanthine 1067 Nucleic acids Purines Hypoxanthines
Citrulline 1051 Organic acids Amino acids and peptides Amino acids
Creatinine 1022 Organoheterocyclic compounds Azoles Imidazolines
Creatine 1019 Organic acids Amino acids and peptides Amino acids
Carnitine 1015 Organic nitrogen compounds Carnitines Carnitines
2-Oxoglutaric acid 1003 Organic acids TCA acids TCA acids
AMP 995 Nucleic acids Purines Purine rNMP
Inosine 984 Nucleic acids Purines Purine ribonucleosides
Pantothenic acid 981 Organic acids Amino acids and peptides Amino acids
Pyruvic acid 976 Organic acids Short-chain acids Short-chain acids
Glucose 951 Carbohydrates Monosaccharides Hexoses
CAR 2:0 940 Fatty Acyls Fatty esters Acyl carnitines
Niacinamide 936 Alkaloids Pyridine alkaloids Nicotinic acid alkaloids
Palmitic acid 920 Fatty Acyls Fatty acids Saturated FA
Xanthine 907 Nucleic acids Purines Xanthines
Uridine 902 Nucleic acids Pyrimidines Pyrimidine ribonucleosides
Adenosine 900 Nucleic acids Purines Purine ribonucleosides
Uric acid 873 Nucleic acids Purines Xanthines
Pyroglutamic acid 864 Organic acids Amino acids and peptides Amino acids
Uracil 861 Nucleic acids Pyrimidines Other pyrimidines
Choline 850 Organic nitrogen compounds Cholines Cholines
Adenine 849 Nucleic acids Purines Aminopurines
Stearic acid 842 Fatty Acyls Fatty acids Saturated FA
sn-Glycero-3-phosphate 813 Organic acids Organic phosphoric acids Organic phosphoric acids
Glutathione 791 Organic acids Amino acids and peptides Tripeptides
Guanosine 777 Nucleic acids Purines Purine ribonucleosides
Cytidine 773 Nucleic acids Pyrimidines Pyrimidine ribonucleosides
Betaine 751 Organic acids Amino acids and peptides Amino acids
Myristic acid 722 Fatty Acyls Fatty acids Saturated FA
Kynurenine 718 Organic acids Amino acids and peptides Amino acids
Pipecolic acid 716 Organic acids Amino acids and peptides Amino acids
Guanine 697 Nucleic acids Purines Hypoxanthines
Cystine 696 Organic acids Amino acids and peptides Amino acids
Glucose 6-phosphate 693 Carbohydrates Monosaccharides Hexose phosphates
N-Acetylaspartic acid 688 Organic acids Amino acids and peptides Amino acids
Glyceric acid 674 Carbohydrates Monosaccharides Sugar acids
CAR 3:0 673 Fatty Acyls Fatty esters Acyl carnitines
sn-Glycero-3-phosphocholine 664 Organic acids Organic phosphoric acids Organic phosphoric acids
Arachidonic acid 662 Fatty Acyls Fatty acids Unsaturated FA
UMP 643 Nucleic acids Pyrimidines Pyrimidine rNMP
Phosphoethanolamine 641 Organic acids Phosphate esters Phosphoethanolamines
2-Hydroxyglutaric acid 636 Fatty Acyls Fatty acids Dicarboxylic acids
beta-Alanine 635 Organic acids Amino acids and peptides Amino acids
NAD 632 Nucleic acids Nicotinamides Nicotinamide dinucleotides
Methionine sulfoxide 632 Organic acids Amino acids and peptides Amino acids
ADP 631 Nucleic acids Purines Purine rNDP
CAR 4:0 630 Fatty Acyls Fatty esters Acyl carnitines
Linoleic acid 628 Fatty Acyls Fatty acids Unsaturated FA
Cytosine 624 Nucleic acids Pyrimidines Pyrimidones
CAR 16:0 622 Fatty Acyls Fatty esters Acyl carnitines
Choline phosphate 619 Organic nitrogen compounds Cholines Cholines
Phosphoenolpyruvic acid 617 Organic acids Short-chain acids Short-chain acids
Oleic acid 613 Fatty Acyls Fatty acids Unsaturated FA
gamma-Aminobutyric acid 608 Fatty Acyls Fatty acids Amino FA
Gluconic acid 607 Carbohydrates Monosaccharides Sugar acids
LPC 16:0 606 Glycerophospholipids Glycerophosphocholines LPC
IMP 604 Nucleic acids Purines Purine rNMP
N-Acetylglutamic acid 595 Organic acids Amino acids and peptides Amino acids
GMP 593 Nucleic acids Purines Purine rNMP
S-Adenosylhomocysteine 590 Nucleic acids Purines Other purines
cis-Aconitic acid 580 Organic acids TCA acids TCA acids
CMP 568 Nucleic acids Pyrimidines Pyrimidine rNMP
Lauric acid 565 Fatty Acyls Fatty acids Saturated FA
Allantoin 558 Organoheterocyclic compounds Cyclic ureas Ureides
Myo-inositol 556 Organic oxygen compounds Alcohols and polyols Inositols
Oxidized glutathione 556 Organic acids Amino acids and peptides Tripeptides
Hippuric acid 555 Benzenoids Benzamides Hippuric acids
Carnosine 546 Organic acids Amino acids and peptides Dipeptides
Cysteine 542 Organic acids Amino acids and peptides Amino acids
3-Hydroxybutyric acid 541 Fatty Acyls Fatty acids Hydroxy FA
Cystathionine 540 Organic acids Amino acids and peptides Amino acids
3-Phosphoglyceric acid 540 Organic acids Short-chain acids Short-chain acids
5'-Methylthioadenosine 538 Nucleic acids Purines Purine ribonucleosides
Palmitoleic acid 537 Fatty Acyls Fatty acids Unsaturated FA
ATP 537 Nucleic acids Purines Purine rNTP
LPC 18:1 532 Glycerophospholipids Glycerophosphocholines LPC
Orotic acid 525 Nucleic acids Pyrimidines Pyrimidine carboxylic acids
LPC 18:0 523 Glycerophospholipids Glycerophosphocholines LPC
Spermidine 510 Alkaloids Ornithine alkaloids Polyamines
N-Acetylneuraminic acid 505 Carbohydrates Monosaccharides Sugar acids
CAR 18:0 505 Fatty Acyls Fatty esters Acyl carnitines
Putrescine 505 Organic nitrogen compounds Amines Amines
Xanthosine 504 Nucleic acids Purines Purine ribonucleosides
Phosphoric acid 501 Inorganic compounds Phosphorus inorganic compounds Phosphates
Arachidic acid 495 Fatty Acyls Fatty acids Saturated FA
Thymidine 494 Nucleic acids Pyrimidines Pyrimidine deoxyribonucleosides
Margaric acid 494 Fatty Acyls Fatty acids Saturated FA
Dimethylarginine 492 Organic acids Amino acids and peptides Amino acids
Guanidoacetic acid 492 Organic acids Amino acids and peptides Amino acids
Urocanic acid 490 Alkaloids Histidine alkaloids Imidazole alkaloids
UDP-N-acetylglucosamine 489 Nucleic acids Pyrimidines Pyrimidine rNDP
S-Adenosylmethionine 487 Nucleic acids Purines Other purines
Sorbitol 480 Carbohydrates Monosaccharides Sugar alcohols
Urea 477 Organic nitrogen compounds Organonitrogen compounds Ureas
Hypotaurine 477 Organic acids Sulfinic acids Sulfinic acids
CAR 12:0 477 Fatty Acyls Fatty esters Acyl carnitines
Cholesterol 474 Sterol Lipids Sterols Cholesterols
Sucrose 471 Carbohydrates Disaccharides Disaccharides
Thymine 470 Nucleic acids Pyrimidines Other pyrimidines
Fructose 1,6-bisphosphate 470 Carbohydrates Monosaccharides Hexose phosphates
Capric acid 470 Fatty Acyls Fatty acids Saturated FA
4-Pyridoxic acid 468 Alkaloids Pyridine alkaloids Nicotinic acid alkaloids
N-6-Trimethyllysine 468 Organic acids Amino acids and peptides Amino acids
Kynurenic acid 466 Alkaloids Anthranilic acid alkaloids Acridone alkaloids
Sarcosine 465 Organic acids Amino acids and peptides Amino acids
Nicotinic acid 464 Alkaloids Pyridine alkaloids Nicotinic acid alkaloids
Indoleacetic acid 463 Alkaloids Tryptophan alkaloids Indoleacetic acids
LPC 18:2 462 Glycerophospholipids Glycerophosphocholines LPC
CAR 14:0 460 Fatty Acyls Fatty esters Acyl carnitines
Thiamine 459 Nucleic acids Pyrimidines Thiamines
Sphingosine 459 Sphingolipids Sphingoid bases Sphingosines
N-Acetylornithine 457 Organic acids Amino acids and peptides Amino acids
Glycerol 457 Organic oxygen compounds Alcohols and polyols 1,2-diols
Ribose 5-phosphate 456 Carbohydrates Monosaccharides Pentose phosphates
N-Acetylmethionine 454 Organic acids Amino acids and peptides Amino acids
Fructose 453 Carbohydrates Monosaccharides Hexoses
Serotonin 453 Alkaloids Tryptophan alkaloids Tryptamines
Benzoic acid 448 Benzenoids Benzenes Benzoic acids
Dimethylglycine 447 Organic acids Amino acids and peptides Amino acids
Threonic acid 446 Carbohydrates Monosaccharides Sugar acids
UDP 446 Nucleic acids Pyrimidines Pyrimidine rNDP
CAR 6:0 445 Fatty Acyls Fatty esters Acyl carnitines
N-Acetylalanine 444 Organic acids Amino acids and peptides Amino acids
Ribose 442 Carbohydrates Monosaccharides Pentoses
LPE 18:0 441 Glycerophospholipids Glycerophosphoethanolamines LPE
CAR 8:0 436 Fatty Acyls Fatty esters Acyl carnitines
3-Methylhistidine 435 Organic acids Amino acids and peptides Amino acids
Cer 18:1;O2/16:0 433 Sphingolipids Ceramides Cer
Pyridoxal 432 Alkaloids Pyridine alkaloids Nicotinic acid alkaloids
Azelaic acid 429 Fatty Acyls Fatty acids Dicarboxylic acids
Isocitric acid 427 Organic acids TCA acids TCA acids
3-Dehydroxycarnitine 426 Fatty Acyls Fatty esters Acyl carnitines
LPE 18:1 423 Glycerophospholipids Glycerophosphoethanolamines LPE
LPC 20:4 422 Glycerophospholipids Glycerophosphocholines LPC
4-Guanidinobutanoic acid 418 Organic nitrogen compounds Guanidines Guanidines
Vitamin C 417 Organoheterocyclic compounds Lactones Gamma butyrolactones
LPE 16:0 416 Glycerophospholipids Glycerophosphoethanolamines LPE
Fructose 6-phosphate 416 Carbohydrates Monosaccharides Hexose phosphates
Deoxycytidine 414 Nucleic acids Pyrimidines Pyrimidine deoxyribonucleosides
Ketoleucine 413 Organic acids Keto acids Short-chain keto acids
Glutaric acid 413 Fatty Acyls Fatty acids Dicarboxylic acids
LPC 16:1 409 Glycerophospholipids Glycerophosphocholines LPC
Riboflavin 408 Organoheterocyclic compounds Alloxazines and isoalloxazines Flavins
Cholic acid 407 Sterol Lipids Bile acids C24 bile acids
1-Methyladenosine 406 Nucleic acids Purines Purine ribonucleosides
Phosphocreatine 404 Organic acids Amino acids and peptides Amino acids
Glycocholic acid 404 Sterol Lipids Bile acids C24 bile acids
6-Phosphogluconic acid 399 Carbohydrates Monosaccharides Hexose phosphates
NADP 397 Nucleic acids Nicotinamides Nicotinamide dinucleotides
PC 36:2 397 Glycerophospholipids Glycerophosphocholines PC
2-Hydroxybutyric acid 396 Fatty Acyls Fatty acids Hydroxy FA
Pseudouridine 394 Nucleic acids Pyrimidines Pyrimidine ribonucleosides
GDP 393 Nucleic acids Purines Purine rNDP
CAR 10:0 392 Fatty Acyls Fatty esters Acyl carnitines
FAD 389 Nucleic acids Flavins Flavin nucleotides
UDP-glucose 389 Nucleic acids Pyrimidines Pyrimidine rNDP
PC 32:1 387 Glycerophospholipids Glycerophosphocholines PC
PC 34:2 386 Glycerophospholipids Glycerophosphocholines PC
Trigonelline 386 Alkaloids Pyridine alkaloids Nicotinic acid alkaloids
Argininosuccinic acid 386 Organic acids Amino acids and peptides Amino acids
N-Acetylputrescine 380 Alkaloids Ornithine alkaloids Polyamines
Caprylic acid 379 Fatty Acyls Fatty acids Saturated FA
PC 36:4 379 Glycerophospholipids Glycerophosphocholines PC
CAR 18:2 378 Fatty Acyls Fatty esters Acyl carnitines
PC 38:6 378 Glycerophospholipids Glycerophosphocholines PC
Sphinganine 376 Sphingolipids Sphingoid bases Sphinganines
NADH 376 Nucleic acids Nicotinamides Nicotinamide dinucleotides
Histamine 375 Alkaloids Histidine alkaloids Imidazole alkaloids
alpha-Aminoadipic acid 374 Organic acids Amino acids and peptides Amino acids
Ureidopropionic acid 371 Organic nitrogen compounds Organonitrogen compounds Ureas
Dihydroxyacetone phosphate 369 Organic acids Short-chain acids Short-chain acids
CAR 14:1 369 Fatty Acyls Fatty esters Acyl carnitines
Glucuronic acid 367 Carbohydrates Monosaccharides Sugar acids
Ethanolamine 364 Organic nitrogen compounds Amines 1,2-aminoalcohols
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