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 1162 Organic acids Amino acids and peptides Amino acids
Glutamine 1119 Organic acids Amino acids and peptides Amino acids
Phenylalanine 1112 Organic acids Amino acids and peptides Amino acids
Tyrosine 1089 Organic acids Amino acids and peptides Amino acids
Aspartic acid 1056 Organic acids Amino acids and peptides Amino acids
Valine 1051 Organic acids Amino acids and peptides Amino acids
Tryptophan 1044 Organic acids Amino acids and peptides Amino acids
Proline 1033 Organic acids Amino acids and peptides Amino acids
Lysine 1029 Organic acids Amino acids and peptides Amino acids
Methionine 1022 Organic acids Amino acids and peptides Amino acids
Alanine 1011 Organic acids Amino acids and peptides Amino acids
Serine 985 Organic acids Amino acids and peptides Amino acids
Leucine 981 Organic acids Amino acids and peptides Amino acids
Histidine 944 Organic acids Amino acids and peptides Amino acids
Threonine 943 Organic acids Amino acids and peptides Amino acids
Succinic acid 942 Organic acids TCA acids TCA acids
Lactic acid 921 Organic acids Short-chain acids Short-chain acids
Isoleucine 904 Organic acids Amino acids and peptides Amino acids
Glycine 892 Organic acids Amino acids and peptides Amino acids
Citric acid 883 Organic acids TCA acids TCA acids
Asparagine 877 Organic acids Amino acids and peptides Amino acids
Ornithine 867 Organic acids Amino acids and peptides Amino acids
Arginine 840 Organic acids Amino acids and peptides Amino acids
Taurine 809 Organic acids Sulfonic acids Sulfonic acids
Fumaric acid 807 Organic acids TCA acids TCA acids
Hypoxanthine 783 Nucleic acids Purines Hypoxanthines
Adenosine 768 Nucleic acids Purines Purine ribonucleosides
Citrulline 744 Organic acids Amino acids and peptides Amino acids
AMP 742 Nucleic acids Purines Purine rNMP
Inosine 724 Nucleic acids Purines Purine ribonucleosides
Carnitine 714 Organic nitrogen compounds Carnitines Carnitines
Pantothenic acid 713 Organic acids Amino acids and peptides Amino acids
Creatine 712 Organic acids Amino acids and peptides Amino acids
Pyroglutamic acid 706 Organic acids Amino acids and peptides Amino acids
Pyruvic acid 701 Organic acids Short-chain acids Short-chain acids
Glucose 700 Carbohydrates Monosaccharides Hexoses
Palmitic acid 699 Fatty Acyls Fatty acids Saturated FA
Creatinine 698 Organoheterocyclic compounds Azoles Imidazolines
Niacinamide 659 Alkaloids Pyridine alkaloids Nicotinic acid alkaloids
Xanthine 656 Nucleic acids Purines Xanthines
CAR 2:0 651 Fatty Acyls Fatty esters Acyl carnitines
Stearic acid 640 Fatty Acyls Fatty acids Saturated FA
Malic acid 639 Organic acids TCA acids TCA acids
Uric acid 634 Nucleic acids Purines Xanthines
Uridine 634 Nucleic acids Pyrimidines Pyrimidine ribonucleosides
Adenine 620 Nucleic acids Purines Aminopurines
Uracil 618 Nucleic acids Pyrimidines Other pyrimidines
sn-Glycero-3-phosphate 595 Organic acids Organic phosphoric acids Organic phosphoric acids
Choline 593 Organic nitrogen compounds Cholines Cholines
Guanosine 565 Nucleic acids Purines Purine ribonucleosides
Glutathione 559 Organic acids Amino acids and peptides Tripeptides
Linoleic acid 554 Fatty Acyls Fatty acids Unsaturated FA
Myristic acid 547 Fatty Acyls Fatty acids Saturated FA
Arachidonic acid 537 Fatty Acyls Fatty acids Unsaturated FA
Cytidine 529 Nucleic acids Pyrimidines Pyrimidine ribonucleosides
Betaine 528 Organic acids Amino acids and peptides Amino acids
Pipecolic acid 516 Organic acids Amino acids and peptides Amino acids
Glyceric acid 515 Carbohydrates Monosaccharides Sugar acids
Kynurenine 512 Organic acids Amino acids and peptides Amino acids
Glucose 6-phosphate 509 Carbohydrates Monosaccharides Monosaccharide phosphates
Guanine 507 Nucleic acids Purines Hypoxanthines
Cystine 501 Organic acids Amino acids and peptides Amino acids
beta-Alanine 484 Organic acids Amino acids and peptides Amino acids
sn-Glycero-3-phosphocholine 481 Organic acids Organic phosphoric acids Organic phosphoric acids
Oleic acid 479 Fatty Acyls Fatty acids Unsaturated FA
LPC 16:0 479 Glycerophospholipids Glycerophosphocholines LPC
N-Acetylaspartic acid 478 Organic acids Amino acids and peptides Amino acids
Phosphoethanolamine 476 Organic acids Phosphate esters Phosphoethanolamines
CAR 3:0 475 Fatty Acyls Fatty esters Acyl carnitines
2-Hydroxyglutaric acid 472 Fatty Acyls Fatty acids Dicarboxylic acids
Myo-inositol 466 Organic oxygen compounds Alcohols and polyols Inositols
CAR 4:0 462 Fatty Acyls Fatty esters Acyl carnitines
CAR 16:0 456 Fatty Acyls Fatty esters Acyl carnitines
UMP 451 Nucleic acids Pyrimidines Pyrimidine rNMP
Phosphoenolpyruvic acid 451 Organic acids Short-chain acids Short-chain acids
Gluconic acid 438 Carbohydrates Monosaccharides Sugar acids
Lauric acid 437 Fatty Acyls Fatty acids Saturated FA
Cytosine 433 Nucleic acids Pyrimidines Pyrimidones
Choline phosphate 429 Organic nitrogen compounds Cholines Cholines
3-Phosphoglyceric acid 427 Organic acids Short-chain acids Short-chain acids
cis-Aconitic acid 426 Organic acids TCA acids TCA acids
gamma-Aminobutyric acid 425 Fatty Acyls Fatty acids Amino FA
N-Acetylglutamic acid 424 Organic acids Amino acids and peptides Amino acids
IMP 420 Nucleic acids Purines Purine rNMP
S-Adenosylhomocysteine 419 Nucleic acids Purines Other purines
CMP 413 Nucleic acids Pyrimidines Pyrimidine rNMP
5'-Methylthioadenosine 412 Nucleic acids Purines Purine ribonucleosides
Palmitoleic acid 411 Fatty Acyls Fatty acids Unsaturated FA
GMP 409 Nucleic acids Purines Purine rNMP
Cysteine 409 Organic acids Amino acids and peptides Amino acids
LPC 18:1 405 Glycerophospholipids Glycerophosphocholines LPC
Arachidic acid 403 Fatty Acyls Fatty acids Saturated FA
Margaric acid 401 Fatty Acyls Fatty acids Saturated FA
Phosphoric acid 401 Unclassified Unclassified Unclassified
LPC 18:0 398 Glycerophospholipids Glycerophosphocholines LPC
Hippuric acid 398 Polyketides Phenolic acids Phenolic acids
Cholesterol 396 Sterol Lipids Sterols Cholesterols
Methionine sulfoxide 395 Organic acids Amino acids and peptides Amino acids
3-Hydroxybutyric acid 394 Fatty Acyls Fatty acids Hydroxy FA
Spermidine 391 Alkaloids Ornithine alkaloids Polyamines
Allantoin 391 Organoheterocyclic compounds Ureas Ureides
Cystathionine 384 Organic acids Amino acids and peptides Amino acids
Putrescine 380 Fatty Acyls Fatty amines Monoalkylamines
CAR 18:1 379 Fatty Acyls Fatty esters Acyl carnitines
Orotic acid 379 Nucleic acids Pyrimidines Pyrimidine carboxylic acids
D-Malic acid 378 Organic acids Hydroxy acids Beta hydroxy acids
CAR 18:0 377 Fatty Acyls Fatty esters Acyl carnitines
Sucrose 376 Carbohydrates Disaccharides Disaccharides
ATP 376 Nucleic acids Purines Purine rNTP
Carnosine 372 Organic acids Amino acids and peptides Dipeptides
Urea 369 Organic acids Organic carbonic acids Ureas
Oxidized glutathione 367 Organic acids Amino acids and peptides Tripeptides
Capric acid 365 Fatty Acyls Fatty acids Saturated FA
Fructose 364 Carbohydrates Monosaccharides Hexoses
Urocanic acid 361 Alkaloids Histidine alkaloids Imidazole alkaloids
CAR 12:0 360 Fatty Acyls Fatty esters Acyl carnitines
LPC 18:2 359 Glycerophospholipids Glycerophosphocholines LPC
Benzoic acid 359 Polyketides Phenolic acids Phenolic acids
Xanthosine 355 Nucleic acids Purines Purine ribonucleosides
Ribose 354 Carbohydrates Monosaccharides Pentoses
Glycerol 354 Organic oxygen compounds Alcohols and polyols 1,2-diols
LPE 18:0 349 Glycerophospholipids Glycerophosphoethanolamines LPE
N-Acetylneuraminic acid 348 Carbohydrates Monosaccharides Sugar acids
UDP-N-acetylglucosamine 344 Nucleic acids Pyrimidines Pyrimidine rNDP
Guanidoacetic acid 344 Organic acids Amino acids and peptides Amino acids
CAR 14:0 343 Fatty Acyls Fatty esters Acyl carnitines
Fructose 1,6-bisphosphate 340 Carbohydrates Monosaccharides Monosaccharide phosphates
Thymidine 339 Nucleic acids Pyrimidines Pyrimidine deoxyribonucleosides
Sarcosine 339 Organic acids Amino acids and peptides Amino acids
Sorbitol 338 Carbohydrates Monosaccharides Sugar alcohols
LPC 20:4 337 Glycerophospholipids Glycerophosphocholines LPC
4-Pyridoxic acid 334 Alkaloids Pyridine alkaloids Nicotinic acid alkaloids
Serotonin 334 Alkaloids Tryptophan alkaloids Tryptamines
Kynurenic acid 333 Alkaloids Anthranilic acid alkaloids Acridone alkaloids
Hypotaurine 331 Organic acids Sulfinic acids Sulfinic acids
CAR 6:0 330 Fatty Acyls Fatty esters Acyl carnitines
CAR 8:0 328 Fatty Acyls Fatty esters Acyl carnitines
LPC 16:1 327 Glycerophospholipids Glycerophosphocholines LPC
Thymine 327 Nucleic acids Pyrimidines Other pyrimidines
Threonic acid 326 Carbohydrates Monosaccharides Sugar acids
N-Acetylmethionine 326 Organic acids Amino acids and peptides Amino acids
Indoleacetic acid 325 Alkaloids Tryptophan alkaloids Indoleacetic acids
S-Adenosylmethionine 325 Nucleic acids Purines Other purines
Azelaic acid 324 Fatty Acyls Fatty acids Dicarboxylic acids
PC 36:2 324 Glycerophospholipids Glycerophosphocholines PC
Ribose 5-phosphate 323 Carbohydrates Monosaccharides Monosaccharide phosphates
Ketoleucine 323 Organic acids Keto acids Short-chain keto acids
Sphingosine 322 Sphingolipids Sphingoid bases Sphingosines
LPE 18:1 321 Glycerophospholipids Glycerophosphoethanolamines LPE
Dimethylarginine 320 Organic acids Amino acids and peptides Amino acids
N-Acetylornithine 318 Organic acids Amino acids and peptides Amino acids
Nicotinic acid 317 Alkaloids Pyridine alkaloids Nicotinic acid alkaloids
PC 34:2 317 Glycerophospholipids Glycerophosphocholines PC
N-6-Trimethyllysine 316 Organic acids Amino acids and peptides Amino acids
Dimethylglycine 315 Organic acids Amino acids and peptides Amino acids
Cer 18:1;O2/16:0 313 Sphingolipids Ceramides Cer
6-Phosphogluconic acid 312 Carbohydrates Monosaccharides Monosaccharide phosphates
3-Methylhistidine 310 Organic acids Amino acids and peptides Amino acids
LPE 16:0 309 Glycerophospholipids Glycerophosphoethanolamines LPE
PC 32:1 307 Glycerophospholipids Glycerophosphocholines PC
N-Acetylalanine 307 Organic acids Amino acids and peptides Amino acids
CAR 10:0 305 Fatty Acyls Fatty esters Acyl carnitines
Glutaric acid 304 Fatty Acyls Fatty acids Dicarboxylic acids
UDP 304 Nucleic acids Pyrimidines Pyrimidine rNDP
Glycocholic acid 304 Sterol Lipids Bile acids C24 Bile acids
2-Hydroxybutyric acid 303 Fatty Acyls Fatty acids Hydroxy FA
Isocitric acid 302 Organic acids TCA acids TCA acids
Pyridoxal 301 Alkaloids Pyridine alkaloids Nicotinic acid alkaloids
PC 36:4 300 Glycerophospholipids Glycerophosphocholines PC
PC 38:6 297 Glycerophospholipids Glycerophosphocholines PC
Cholic acid 296 Sterol Lipids Bile acids C24 Bile acids
Thiamine 294 Nucleic acids Pyrimidines Thiamines
Vitamin C 294 Organoheterocyclic compounds Lactones Gamma butyrolactones
Fructose 6-phosphate 293 Carbohydrates Monosaccharides Monosaccharide phosphates
Ethanolamine 293 Organic nitrogen compounds Amines 1,2-aminoalcohols
PC 34:1 292 Glycerophospholipids Glycerophosphocholines PC
Caprylic acid 290 Fatty Acyls Fatty acids Saturated FA
1-Methyladenosine 290 Nucleic acids Purines Purine ribonucleosides
CAR 18:2 289 Fatty Acyls Fatty esters Acyl carnitines
4-Guanidinobutanoic acid 289 Organic acids Amino acids and peptides Amino acids
LPE 18:2 287 Glycerophospholipids Glycerophosphoethanolamines LPE
Pelargonic acid 286 Fatty Acyls Fatty acids Saturated FA
LPE 20:4 286 Glycerophospholipids Glycerophosphoethanolamines LPE
FAD 286 Nucleic acids Flavins Flavin nucleotides
Pseudouridine 286 Nucleic acids Pyrimidines Pyrimidine ribonucleosides
Glycolic acid 285 Fatty Acyls Fatty acids Hydroxy FA
LPC 14:0 285 Glycerophospholipids Glycerophosphocholines LPC
PC 36:1 285 Glycerophospholipids Glycerophosphocholines PC
LPC 22:6 284 Glycerophospholipids Glycerophosphocholines LPC
PC 32:0 284 Glycerophospholipids Glycerophosphocholines PC
PC 32:2 284 Glycerophospholipids Glycerophosphocholines PC
N-Acetylputrescine 281 Alkaloids Ornithine alkaloids Polyamines
3-Dehydroxycarnitine 281 Fatty Acyls Fatty esters Acyl carnitines
PC 38:4 281 Glycerophospholipids Glycerophosphocholines PC
PC 30:0 279 Glycerophospholipids Glycerophosphocholines PC
Behenic acid 278 Fatty Acyls Fatty acids Saturated FA
PC 34:3 277 Glycerophospholipids Glycerophosphocholines PC
PC 36:3 277 Glycerophospholipids Glycerophosphocholines PC
PC 38:5 276 Glycerophospholipids Glycerophosphocholines PC
Deoxycytidine 276 Nucleic acids Pyrimidines Pyrimidine deoxyribonucleosides
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