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 1139 Organic acids Amino acids and peptides Amino acids
Glutamine 1096 Organic acids Amino acids and peptides Amino acids
Phenylalanine 1087 Organic acids Amino acids and peptides Amino acids
Tyrosine 1065 Organic acids Amino acids and peptides Amino acids
Aspartic acid 1036 Organic acids Amino acids and peptides Amino acids
Valine 1033 Organic acids Amino acids and peptides Amino acids
Tryptophan 1019 Organic acids Amino acids and peptides Amino acids
Proline 1011 Organic acids Amino acids and peptides Amino acids
Lysine 1010 Organic acids Amino acids and peptides Amino acids
Methionine 998 Organic acids Amino acids and peptides Amino acids
Alanine 991 Organic acids Amino acids and peptides Amino acids
Serine 964 Organic acids Amino acids and peptides Amino acids
Leucine 960 Organic acids Amino acids and peptides Amino acids
Histidine 927 Organic acids Amino acids and peptides Amino acids
Threonine 926 Organic acids Amino acids and peptides Amino acids
Succinic acid 926 Organic acids TCA acids TCA acids
Lactic acid 904 Organic acids Short-chain acids Short-chain acids
Isoleucine 885 Organic acids Amino acids and peptides Amino acids
Glycine 873 Organic acids Amino acids and peptides Amino acids
Citric acid 868 Organic acids TCA acids TCA acids
Asparagine 859 Organic acids Amino acids and peptides Amino acids
Ornithine 851 Organic acids Amino acids and peptides Amino acids
Arginine 821 Organic acids Amino acids and peptides Amino acids
Taurine 795 Organic acids Sulfonic acids Sulfonic acids
Fumaric acid 791 Organic acids TCA acids TCA acids
Hypoxanthine 764 Nucleic acids Purines Hypoxanthines
Adenosine 751 Nucleic acids Purines Purine ribonucleosides
AMP 728 Nucleic acids Purines Purine rNMP
Citrulline 728 Organic acids Amino acids and peptides Amino acids
Inosine 708 Nucleic acids Purines Purine ribonucleosides
Creatine 698 Organic acids Amino acids and peptides Amino acids
Carnitine 696 Organic nitrogen compounds Carnitines Carnitines
Pantothenic acid 694 Organic acids Amino acids and peptides Amino acids
Glucose 689 Carbohydrates Monosaccharides Hexoses
Pyroglutamic acid 687 Organic acids Amino acids and peptides Amino acids
Pyruvic acid 683 Organic acids Short-chain acids Short-chain acids
Creatinine 683 Organoheterocyclic compounds Azoles Imidazolines
Palmitic acid 680 Fatty Acyls Fatty acids Saturated FA
Niacinamide 644 Alkaloids Nicotinic acid alkaloids Pyridine alkaloids
Xanthine 641 Nucleic acids Purines Xanthines
CAR 2:0 634 Fatty Acyls Fatty esters Acyl carnitines
Malic acid 625 Organic acids TCA acids TCA acids
Stearic acid 622 Fatty Acyls Fatty acids Saturated FA
Uric acid 619 Nucleic acids Purines Xanthines
Uridine 614 Nucleic acids Pyrimidines Pyrimidine ribonucleosides
Adenine 608 Nucleic acids Purines Aminopurines
Uracil 603 Nucleic acids Pyrimidines Other pyrimidines
sn-Glycero-3-phosphate 584 Organic acids Organic phosphoric acids Organic phosphoric acids
Choline 581 Organic nitrogen compounds Cholines Cholines
Guanosine 549 Nucleic acids Purines Purine ribonucleosides
Linoleic acid 547 Fatty Acyls Fatty acids Unsaturated FA
Glutathione 545 Organic acids Amino acids and peptides Tripeptides
Myristic acid 539 Fatty Acyls Fatty acids Saturated FA
Arachidonic acid 520 Fatty Acyls Fatty acids Unsaturated FA
Cytidine 518 Nucleic acids Pyrimidines Pyrimidine ribonucleosides
Betaine 514 Organic acids Amino acids and peptides Amino acids
Pipecolic acid 506 Organic acids Amino acids and peptides Amino acids
Glyceric acid 503 Carbohydrates Monosaccharides Sugar acids
Glucose 6-phosphate 499 Carbohydrates Monosaccharides Monosaccharide phosphates
Guanine 497 Nucleic acids Purines Hypoxanthines
Kynurenine 496 Organic acids Amino acids and peptides Amino acids
Cystine 490 Organic acids Amino acids and peptides Amino acids
beta-Alanine 477 Organic acids Amino acids and peptides Amino acids
Oleic acid 475 Fatty Acyls Fatty acids Unsaturated FA
sn-Glycero-3-phosphocholine 468 Organic acids Organic phosphoric acids Organic phosphoric acids
Phosphoethanolamine 467 Organic acids Phosphate esters Phosphoethanolamines
N-Acetylaspartic acid 466 Organic acids Amino acids and peptides Amino acids
CAR 3:0 464 Fatty Acyls Fatty esters Acyl carnitines
2-Hydroxyglutaric acid 462 Fatty Acyls Fatty acids Dicarboxylic acids
LPC 16:0 461 Glycerophospholipids Glycerophosphocholines LPC
Myo-inositol 457 Organic oxygen compounds Alcohols and polyols Inositols
CAR 4:0 452 Fatty Acyls Fatty esters Acyl carnitines
Phosphoenolpyruvic acid 444 Organic acids Short-chain acids Short-chain acids
UMP 443 Nucleic acids Pyrimidines Pyrimidine rNMP
CAR 16:0 436 Fatty Acyls Fatty esters Acyl carnitines
Lauric acid 433 Fatty Acyls Fatty acids Saturated FA
Gluconic acid 428 Carbohydrates Monosaccharides Sugar acids
Cytosine 422 Nucleic acids Pyrimidines Pyrimidones
Choline phosphate 421 Organic nitrogen compounds Cholines Cholines
3-Phosphoglyceric acid 420 Organic acids Short-chain acids Short-chain acids
gamma-Aminobutyric acid 418 Fatty Acyls Fatty acids Amino FA
N-Acetylglutamic acid 414 Organic acids Amino acids and peptides Amino acids
cis-Aconitic acid 413 Organic acids TCA acids TCA acids
IMP 411 Nucleic acids Purines Purine rNMP
S-Adenosylhomocysteine 410 Nucleic acids Purines Other purines
CMP 407 Nucleic acids Pyrimidines Pyrimidine rNMP
Palmitoleic acid 405 Fatty Acyls Fatty acids Unsaturated FA
5'-Methylthioadenosine 401 Nucleic acids Purines Purine ribonucleosides
GMP 399 Nucleic acids Purines Purine rNMP
Cysteine 399 Organic acids Amino acids and peptides Amino acids
Arachidic acid 395 Fatty Acyls Fatty acids Saturated FA
Phosphoric acid 394 Unclassified Unclassified Unclassified
Hippuric acid 390 Polyketides Phenolic acids Phenolic acids
Margaric acid 389 Fatty Acyls Fatty acids Saturated FA
3-Hydroxybutyric acid 387 Fatty Acyls Fatty acids Hydroxy FA
LPC 18:1 387 Glycerophospholipids Glycerophosphocholines LPC
Methionine sulfoxide 386 Organic acids Amino acids and peptides Amino acids
LPC 18:0 382 Glycerophospholipids Glycerophosphocholines LPC
Spermidine 382 Alkaloids Ornithine alkaloids Polyamines
Cholesterol 381 Sterol Lipids Sterols Cholesterols
Allantoin 380 Organoheterocyclic compounds Ureas Ureides
Cystathionine 377 Organic acids Amino acids and peptides Amino acids
D-Malic acid 375 Organic acids Hydroxy acids Beta hydroxy acids
ATP 373 Nucleic acids Purines Purine rNTP
Putrescine 372 Fatty Acyls Fatty amines Monoalkylamines
Sucrose 369 Carbohydrates Disaccharides Disaccharides
Orotic acid 369 Nucleic acids Pyrimidines Pyrimidine carboxylic acids
CAR 18:1 363 Fatty Acyls Fatty esters Acyl carnitines
Carnosine 362 Organic acids Amino acids and peptides Dipeptides
Capric acid 360 Fatty Acyls Fatty acids Saturated FA
Urea 357 Organic acids Organic carbonic acids Ureas
CAR 18:0 357 Fatty Acyls Fatty esters Acyl carnitines
Oxidized glutathione 356 Organic acids Amino acids and peptides Tripeptides
Urocanic acid 356 Alkaloids Histidine alkaloids Imidazole alkaloids
Fructose 354 Carbohydrates Monosaccharides Hexoses
Benzoic acid 351 Polyketides Phenolic acids Phenolic acids
Glycerol 349 Organic oxygen compounds Alcohols and polyols 1,2-diols
CAR 12:0 347 Fatty Acyls Fatty esters Acyl carnitines
Ribose 346 Carbohydrates Monosaccharides Pentoses
Xanthosine 345 Nucleic acids Purines Purine ribonucleosides
LPC 18:2 344 Glycerophospholipids Glycerophosphocholines LPC
N-Acetylneuraminic acid 343 Carbohydrates Monosaccharides Sugar acids
UDP-N-acetylglucosamine 338 Nucleic acids Pyrimidines Pyrimidine rNDP
Guanidoacetic acid 338 Organic acids Amino acids and peptides Amino acids
Fructose 1,6-bisphosphate 337 Carbohydrates Monosaccharides Monosaccharide phosphates
Sorbitol 332 Carbohydrates Monosaccharides Sugar alcohols
LPE 18:0 331 Glycerophospholipids Glycerophosphoethanolamines LPE
Sarcosine 331 Organic acids Amino acids and peptides Amino acids
CAR 14:0 330 Fatty Acyls Fatty esters Acyl carnitines
Thymidine 328 Nucleic acids Pyrimidines Pyrimidine deoxyribonucleosides
4-Pyridoxic acid 327 Alkaloids Nicotinic acid alkaloids Pyridine alkaloids
Kynurenic acid 324 Alkaloids Anthranilic acid alkaloids Acridone alkaloids
Serotonin 324 Alkaloids Tryptophan alkaloids Tryptamines
Hypotaurine 323 Organic acids Sulfinic acids Sulfinic acids
Indoleacetic acid 322 Alkaloids Tryptophan alkaloids Indoleacetic acids
LPC 20:4 321 Glycerophospholipids Glycerophosphocholines LPC
Threonic acid 320 Carbohydrates Monosaccharides Sugar acids
N-Acetylmethionine 319 Organic acids Amino acids and peptides Amino acids
Ketoleucine 317 Organic acids Keto acids Short-chain keto acids
CAR 6:0 317 Fatty Acyls Fatty esters Acyl carnitines
Azelaic acid 317 Fatty Acyls Fatty acids Dicarboxylic acids
Thymine 316 Nucleic acids Pyrimidines Other pyrimidines
N-Acetylornithine 315 Organic acids Amino acids and peptides Amino acids
CAR 8:0 315 Fatty Acyls Fatty esters Acyl carnitines
S-Adenosylmethionine 315 Nucleic acids Purines Other purines
PC 36:2 314 Glycerophospholipids Glycerophosphocholines PC
LPC 16:1 313 Glycerophospholipids Glycerophosphocholines LPC
Ribose 5-phosphate 313 Carbohydrates Monosaccharides Monosaccharide phosphates
Sphingosine 312 Sphingolipids Sphingoid bases Sphingosines
Nicotinic acid 309 Alkaloids Nicotinic acid alkaloids Pyridine alkaloids
Dimethylarginine 309 Organic acids Amino acids and peptides Amino acids
N-6-Trimethyllysine 307 Organic acids Amino acids and peptides Amino acids
PC 34:2 306 Glycerophospholipids Glycerophosphocholines PC
Dimethylglycine 305 Organic acids Amino acids and peptides Amino acids
3-Methylhistidine 304 Organic acids Amino acids and peptides Amino acids
6-Phosphogluconic acid 304 Carbohydrates Monosaccharides Monosaccharide phosphates
LPE 18:1 302 Glycerophospholipids Glycerophosphoethanolamines LPE
Glycocholic acid 299 Sterol Lipids Bile acids C24 Bile acids
UDP 299 Nucleic acids Pyrimidines Pyrimidine rNDP
2-Hydroxybutyric acid 298 Fatty Acyls Fatty acids Hydroxy FA
N-Acetylalanine 298 Organic acids Amino acids and peptides Amino acids
Glutaric acid 297 Fatty Acyls Fatty acids Dicarboxylic acids
PC 32:1 296 Glycerophospholipids Glycerophosphocholines PC
CAR 10:0 295 Fatty Acyls Fatty esters Acyl carnitines
Pyridoxal 294 Alkaloids Nicotinic acid alkaloids Pyridine alkaloids
Isocitric acid 293 Organic acids TCA acids TCA acids
LPE 16:0 292 Glycerophospholipids Glycerophosphoethanolamines LPE
PC 36:4 290 Glycerophospholipids Glycerophosphocholines PC
Cer 18:1;O2/16:0 290 Sphingolipids Ceramides Cer
Cholic acid 290 Sterol Lipids Bile acids C24 Bile acids
Vitamin C 289 Organoheterocyclic compounds Lactones Gamma butyrolactones
Thiamine 288 Nucleic acids Pyrimidines Thiamines
PC 38:6 288 Glycerophospholipids Glycerophosphocholines PC
Ethanolamine 288 Organic nitrogen compounds Amines 1,2-aminoalcohols
Caprylic acid 286 Fatty Acyls Fatty acids Saturated FA
Fructose 6-phosphate 286 Carbohydrates Monosaccharides Monosaccharide phosphates
Pelargonic acid 284 Fatty Acyls Fatty acids Saturated FA
4-Guanidinobutanoic acid 283 Organic acids Amino acids and peptides Amino acids
1-Methyladenosine 281 Nucleic acids Purines Purine ribonucleosides
PC 34:1 281 Glycerophospholipids Glycerophosphocholines PC
Glycolic acid 281 Fatty Acyls Fatty acids Hydroxy FA
FAD 279 Nucleic acids Flavins Flavin nucleotides
Pseudouridine 278 Nucleic acids Pyrimidines Pyrimidine ribonucleosides
3-Dehydroxycarnitine 275 Fatty Acyls Fatty esters Acyl carnitines
PC 36:1 275 Glycerophospholipids Glycerophosphocholines PC
CAR 18:2 275 Fatty Acyls Fatty esters Acyl carnitines
PC 32:2 274 Glycerophospholipids Glycerophosphocholines PC
N-Acetylputrescine 274 Alkaloids Ornithine alkaloids Polyamines
PC 32:0 273 Glycerophospholipids Glycerophosphocholines PC
LPC 14:0 271 Glycerophospholipids Glycerophosphocholines LPC
LPE 18:2 270 Glycerophospholipids Glycerophosphoethanolamines LPE
LPE 20:4 270 Glycerophospholipids Glycerophosphoethanolamines LPE
Behenic acid 270 Fatty Acyls Fatty acids Saturated FA
PC 38:4 270 Glycerophospholipids Glycerophosphocholines PC
Deoxycytidine 268 Nucleic acids Pyrimidines Pyrimidine deoxyribonucleosides
LPC 22:6 268 Glycerophospholipids Glycerophosphocholines LPC
PC 30:0 268 Glycerophospholipids Glycerophosphocholines PC
PC 36:3 268 Glycerophospholipids Glycerophosphocholines PC
PC 34:3 268 Glycerophospholipids Glycerophosphocholines PC
Ureidopropionic acid 266 Organic acids Organic carbonic acids Ureas
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