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 1573 Organic acids Amino acids and peptides Amino acids
Glutamine 1526 Organic acids Amino acids and peptides Amino acids
Phenylalanine 1525 Organic acids Amino acids and peptides Amino acids
Tyrosine 1485 Organic acids Amino acids and peptides Amino acids
Aspartic acid 1428 Organic acids Amino acids and peptides Amino acids
Valine 1426 Organic acids Amino acids and peptides Amino acids
Tryptophan 1421 Organic acids Amino acids and peptides Amino acids
Proline 1412 Organic acids Amino acids and peptides Amino acids
Methionine 1407 Organic acids Amino acids and peptides Amino acids
Lysine 1406 Organic acids Amino acids and peptides Amino acids
Alanine 1375 Organic acids Amino acids and peptides Amino acids
Serine 1359 Organic acids Amino acids and peptides Amino acids
Succinic acid 1299 Organic acids TCA acids TCA acids
Threonine 1297 Organic acids Amino acids and peptides Amino acids
Histidine 1294 Organic acids Amino acids and peptides Amino acids
Leucine 1279 Organic acids Amino acids and peptides Amino acids
Lactic acid 1274 Organic acids Short-chain acids Short-chain acids
Malic acid 1251 Organic acids TCA acids TCA acids
Isoleucine 1223 Organic acids Amino acids and peptides Amino acids
Asparagine 1218 Organic acids Amino acids and peptides Amino acids
Glycine 1216 Organic acids Amino acids and peptides Amino acids
Arginine 1211 Organic acids Amino acids and peptides Amino acids
Ornithine 1188 Organic acids Amino acids and peptides Amino acids
Citric acid 1180 Organic acids TCA acids TCA acids
Taurine 1121 Organic acids Sulfonic acids Sulfonic acids
Fumaric acid 1092 Organic acids TCA acids TCA acids
Hypoxanthine 1070 Nucleic acids Purines Hypoxanthines
Citrulline 1054 Organic acids Amino acids and peptides Amino acids
Creatinine 1025 Organoheterocyclic compounds Azoles Imidazolines
Creatine 1022 Organic acids Amino acids and peptides Amino acids
Carnitine 1017 Organic nitrogen compounds Carnitines Carnitines
2-Oxoglutaric acid 1005 Organic acids TCA acids TCA acids
AMP 997 Nucleic acids Purines Purine rNMP
Inosine 987 Nucleic acids Purines Purine ribonucleosides
Pantothenic acid 982 Organic acids Amino acids and peptides Amino acids
Pyruvic acid 979 Organic acids Short-chain acids Short-chain acids
Glucose 954 Carbohydrates Monosaccharides Hexoses
CAR 2:0 943 Fatty Acyls Fatty esters Acyl carnitines
Niacinamide 939 Alkaloids Pyridine alkaloids Nicotinic acid alkaloids
Palmitic acid 922 Fatty Acyls Fatty acids Saturated FA
Xanthine 910 Nucleic acids Purines Xanthines
Uridine 903 Nucleic acids Pyrimidines Pyrimidine ribonucleosides
Adenosine 902 Nucleic acids Purines Purine ribonucleosides
Uric acid 876 Nucleic acids Purines Xanthines
Pyroglutamic acid 867 Organic acids Amino acids and peptides Amino acids
Uracil 864 Nucleic acids Pyrimidines Other pyrimidines
Choline 852 Organic nitrogen compounds Cholines Cholines
Adenine 851 Nucleic acids Purines Aminopurines
Stearic acid 844 Fatty Acyls Fatty acids Saturated FA
sn-Glycero-3-phosphate 816 Organic acids Organic phosphoric acids Organic phosphoric acids
Glutathione 794 Organic acids Amino acids and peptides Tripeptides
Guanosine 779 Nucleic acids Purines Purine ribonucleosides
Cytidine 775 Nucleic acids Pyrimidines Pyrimidine ribonucleosides
Betaine 752 Organic acids Amino acids and peptides Amino acids
Myristic acid 724 Fatty Acyls Fatty acids Saturated FA
Kynurenine 719 Organic acids Amino acids and peptides Amino acids
Pipecolic acid 717 Organic acids Amino acids and peptides Amino acids
Guanine 700 Nucleic acids Purines Hypoxanthines
Cystine 698 Organic acids Amino acids and peptides Amino acids
Glucose 6-phosphate 695 Carbohydrates Monosaccharides Hexose phosphates
N-Acetylaspartic acid 688 Organic acids Amino acids and peptides Amino acids
CAR 3:0 676 Fatty Acyls Fatty esters Acyl carnitines
Glyceric acid 675 Carbohydrates Monosaccharides Sugar acids
Arachidonic acid 664 Fatty Acyls Fatty acids Unsaturated FA
sn-Glycero-3-phosphocholine 664 Organic acids Organic phosphoric acids Organic phosphoric acids
UMP 644 Nucleic acids Pyrimidines Pyrimidine rNMP
Phosphoethanolamine 643 Organic acids Phosphate esters Phosphoethanolamines
2-Hydroxyglutaric acid 638 Fatty Acyls Fatty acids Dicarboxylic acids
beta-Alanine 636 Organic acids Amino acids and peptides Amino acids
Methionine sulfoxide 634 Organic acids Amino acids and peptides Amino acids
CAR 4:0 632 Fatty Acyls Fatty esters Acyl carnitines
NAD 632 Nucleic acids Nicotinamides Nicotinamide dinucleotides
ADP 632 Nucleic acids Purines Purine rNDP
Linoleic acid 630 Fatty Acyls Fatty acids Unsaturated FA
Cytosine 627 Nucleic acids Pyrimidines Pyrimidones
CAR 16:0 624 Fatty Acyls Fatty esters Acyl carnitines
Choline phosphate 620 Organic nitrogen compounds Cholines Cholines
Phosphoenolpyruvic acid 619 Organic acids Short-chain acids Short-chain acids
Oleic acid 614 Fatty Acyls Fatty acids Unsaturated FA
gamma-Aminobutyric acid 609 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
GMP 595 Nucleic acids Purines Purine rNMP
N-Acetylglutamic acid 595 Organic acids Amino acids and peptides Amino acids
S-Adenosylhomocysteine 591 Nucleic acids Purines Other purines
cis-Aconitic acid 581 Organic acids TCA acids TCA acids
CMP 570 Nucleic acids Pyrimidines Pyrimidine rNMP
Lauric acid 567 Fatty Acyls Fatty acids Saturated FA
Allantoin 561 Organoheterocyclic compounds Cyclic ureas Ureides
Oxidized glutathione 559 Organic acids Amino acids and peptides Tripeptides
Hippuric acid 556 Benzenoids Benzamides Hippuric acids
Myo-inositol 556 Organic oxygen compounds Alcohols and polyols Inositols
Carnosine 547 Organic acids Amino acids and peptides Dipeptides
Cysteine 544 Organic acids Amino acids and peptides Amino acids
3-Hydroxybutyric acid 542 Fatty Acyls Fatty acids Hydroxy FA
Cystathionine 541 Organic acids Amino acids and peptides Amino acids
3-Phosphoglyceric acid 541 Organic acids Short-chain acids Short-chain acids
5'-Methylthioadenosine 540 Nucleic acids Purines Purine ribonucleosides
ATP 538 Nucleic acids Purines Purine rNTP
Palmitoleic acid 537 Fatty Acyls Fatty acids Unsaturated FA
LPC 18:1 532 Glycerophospholipids Glycerophosphocholines LPC
Orotic acid 525 Nucleic acids Pyrimidines Pyrimidine carboxylic acids
LPC 18:0 523 Glycerophospholipids Glycerophosphocholines LPC
Spermidine 511 Alkaloids Ornithine alkaloids Polyamines
N-Acetylneuraminic acid 508 Carbohydrates Monosaccharides Sugar acids
Putrescine 507 Organic nitrogen compounds Amines Amines
CAR 18:0 506 Fatty Acyls Fatty esters Acyl carnitines
Phosphoric acid 504 Inorganic compounds Phosphorus inorganic compounds Phosphates
Xanthosine 504 Nucleic acids Purines Purine ribonucleosides
Arachidic acid 496 Fatty Acyls Fatty acids Saturated FA
Thymidine 496 Nucleic acids Pyrimidines Pyrimidine deoxyribonucleosides
Margaric acid 495 Fatty Acyls Fatty acids Saturated FA
Guanidoacetic acid 494 Organic acids Amino acids and peptides Amino acids
Dimethylarginine 492 Organic acids Amino acids and peptides Amino acids
Urocanic acid 491 Alkaloids Histidine alkaloids Imidazole alkaloids
UDP-N-acetylglucosamine 491 Nucleic acids Pyrimidines Pyrimidine rNDP
S-Adenosylmethionine 488 Nucleic acids Purines Other purines
Sorbitol 480 Carbohydrates Monosaccharides Sugar alcohols
Hypotaurine 480 Organic acids Sulfinic acids Sulfinic acids
CAR 12:0 479 Fatty Acyls Fatty esters Acyl carnitines
Urea 477 Organic nitrogen compounds Organonitrogen compounds Ureas
Cholesterol 474 Sterol Lipids Sterols Cholesterols
Thymine 473 Nucleic acids Pyrimidines Other pyrimidines
Capric acid 472 Fatty Acyls Fatty acids Saturated FA
Sucrose 471 Carbohydrates Disaccharides Disaccharides
4-Pyridoxic acid 470 Alkaloids Pyridine alkaloids Nicotinic acid alkaloids
Fructose 1,6-bisphosphate 470 Carbohydrates Monosaccharides Hexose phosphates
Kynurenic acid 468 Alkaloids Anthranilic acid alkaloids Acridone alkaloids
N-6-Trimethyllysine 468 Organic acids Amino acids and peptides Amino acids
Indoleacetic acid 466 Alkaloids Tryptophan alkaloids Indoleacetic acids
Sarcosine 466 Organic acids Amino acids and peptides Amino acids
Nicotinic acid 464 Alkaloids Pyridine alkaloids Nicotinic acid alkaloids
CAR 14:0 463 Fatty Acyls Fatty esters Acyl carnitines
LPC 18:2 462 Glycerophospholipids Glycerophosphocholines LPC
Sphingosine 461 Sphingolipids Sphingoid bases Sphingosines
Thiamine 460 Nucleic acids Pyrimidines Thiamines
N-Acetylornithine 459 Organic acids Amino acids and peptides Amino acids
Glycerol 458 Organic oxygen compounds Alcohols and polyols 1,2-diols
Ribose 5-phosphate 456 Carbohydrates Monosaccharides Pentose phosphates
Serotonin 455 Alkaloids Tryptophan alkaloids Tryptamines
Fructose 454 Carbohydrates Monosaccharides Hexoses
N-Acetylmethionine 454 Organic acids Amino acids and peptides Amino acids
Dimethylglycine 449 Organic acids Amino acids and peptides Amino acids
Benzoic acid 448 Benzenoids Benzenes Benzoic acids
UDP 448 Nucleic acids Pyrimidines Pyrimidine rNDP
CAR 6:0 447 Fatty Acyls Fatty esters Acyl carnitines
Threonic acid 446 Carbohydrates Monosaccharides Sugar acids
N-Acetylalanine 445 Organic acids Amino acids and peptides Amino acids
Ribose 444 Carbohydrates Monosaccharides Pentoses
LPE 18:0 441 Glycerophospholipids Glycerophosphoethanolamines LPE
CAR 8:0 438 Fatty Acyls Fatty esters Acyl carnitines
Pyridoxal 435 Alkaloids Pyridine alkaloids Nicotinic acid alkaloids
3-Methylhistidine 435 Organic acids Amino acids and peptides Amino acids
Cer 18:1;O2/16:0 434 Sphingolipids Ceramides Cer
Azelaic acid 430 Fatty Acyls Fatty acids Dicarboxylic acids
Isocitric acid 428 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 419 Organic nitrogen compounds Guanidines Guanidines
Vitamin C 419 Organoheterocyclic compounds Lactones Gamma butyrolactones
Fructose 6-phosphate 416 Carbohydrates Monosaccharides Hexose phosphates
LPE 16:0 416 Glycerophospholipids Glycerophosphoethanolamines LPE
Glutaric acid 414 Fatty Acyls Fatty acids Dicarboxylic acids
Deoxycytidine 414 Nucleic acids Pyrimidines Pyrimidine deoxyribonucleosides
Ketoleucine 414 Organic acids Keto acids Short-chain keto acids
Cholic acid 410 Sterol Lipids Bile acids C24 bile acids
LPC 16:1 409 Glycerophospholipids Glycerophosphocholines LPC
Riboflavin 409 Organoheterocyclic compounds Alloxazines and isoalloxazines Flavins
Glycocholic acid 407 Sterol Lipids Bile acids C24 bile acids
1-Methyladenosine 406 Nucleic acids Purines Purine ribonucleosides
Phosphocreatine 405 Organic acids Amino acids and peptides Amino acids
6-Phosphogluconic acid 401 Carbohydrates Monosaccharides Hexose phosphates
PC 36:2 397 Glycerophospholipids Glycerophosphocholines PC
NADP 397 Nucleic acids Nicotinamides Nicotinamide dinucleotides
2-Hydroxybutyric acid 396 Fatty Acyls Fatty acids Hydroxy FA
Pseudouridine 395 Nucleic acids Pyrimidines Pyrimidine ribonucleosides
GDP 394 Nucleic acids Purines Purine rNDP
CAR 10:0 393 Fatty Acyls Fatty esters Acyl carnitines
FAD 390 Nucleic acids Flavins Flavin nucleotides
UDP-glucose 389 Nucleic acids Pyrimidines Pyrimidine rNDP
PC 32:1 387 Glycerophospholipids Glycerophosphocholines PC
Argininosuccinic acid 387 Organic acids Amino acids and peptides Amino acids
Trigonelline 386 Alkaloids Pyridine alkaloids Nicotinic acid alkaloids
PC 34:2 386 Glycerophospholipids Glycerophosphocholines PC
Caprylic acid 381 Fatty Acyls Fatty acids Saturated FA
N-Acetylputrescine 380 Alkaloids Ornithine alkaloids Polyamines
CAR 18:2 380 Fatty Acyls Fatty esters Acyl carnitines
PC 36:4 379 Glycerophospholipids Glycerophosphocholines PC
PC 38:6 378 Glycerophospholipids Glycerophosphocholines PC
Sphinganine 378 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
CAR 14:1 371 Fatty Acyls Fatty esters Acyl carnitines
Ureidopropionic acid 371 Organic nitrogen compounds Organonitrogen compounds Ureas
Dihydroxyacetone phosphate 370 Organic acids Short-chain acids Short-chain acids
Glucuronic acid 368 Carbohydrates Monosaccharides Sugar acids
Ethanolamine 364 Organic nitrogen compounds Amines 1,2-aminoalcohols
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