Annotated metabolites were mapped to KEGG metabolic pathways for functional annotation and enrichment analysis. Enrichment significance was assessed using hypergeometric tests. Differential metabolites were further grouped into functional categories including lipid metabolism, energy metabolism, amino acid metabolism, neurotransmitter metabolism, oxidative stress, and microbiota-related metabolites. For visualization of expression trends, metabolite abundances were Z-score normalized and subjected to hierarchical clustering using Euclidean distance. Venn diagrams were generated to identify overlapping metabolites between Disease vs WT and Treatment vs Disease comparisons, highlighting metabolites reversed by treatment intervention. Targeted panels of differential serum metabolites were selected based on their involvement in microbiota-related pathways, including tryptophan/indole metabolism and phenylalanine-derived phenolic metabolism. These metabolites were used for correlation analysis to evaluate associations with gut microbial community structure.
"],"repository":["MetaboLights"],"study_status":["Public"],"ptm_modification":[""],"instrument_platform":["Liquid Chromatography MS - negative - reverse-phase","Liquid Chromatography MS - positive - reverse-phase"],"chromatography_protocol":["Non-targeted metabolomic profiling was performed using a high-resolution liquid chromatography-mass spectrometry system (LC-MS/MS) equipped with a reversed-phase C18 column (2.1 × 100 mm, 1.7 µm). The mobile phases consisted of water with 0.1% formic acid (A) and acetonitrile with 0.1% formic acid (B). The gradient elution was as follows: 0-2 min, 5% B; 2-15 min, 5-95% B; 15-17 min, 95% B; 17-17.5 min, 95-5% B; 17.5-20 min, 5% B for column equilibration. The flow rate was 0.3 mL/min, and the injection volume was 5 µL.
"],"publication":["Microbiota-derived p-cresol and indole metabolites mediates neurotoxic gut–brain axis dysregulation in ALS."],"submitter_name":["Hailong Zheng"],"submitter_affiliation":["capital medical university"],"organism_part":["blood plasma","brain"],"technology_type":["mass spectrometry assay"],"disease":[""],"extraction_protocol":["Brain tissues and serum samples were collected from wildtype (WT), disease model, and treatment groups, snap-frozen in liquid nitrogen, and stored at -80°C until analysis. For brain tissue, approximately 50 mg was homogenized in 400 µL of cold methanol:water (4:1, v/v) containing internal standards. The homogenate was vortexed, sonicated on ice for 10 min, and centrifuged at 14,000 × g for 15 min at 4°C. The supernatant was collected, dried under a gentle nitrogen stream, and reconstituted in 100 µL of 50% methanol for LC-MS analysis. Serum samples (50 µL) were treated similarly, with protein precipitation using 200 µL cold methanol, followed by centrifugation and reconstitution in 50 µL 50% methanol.
"],"organism":["Mus musculus"],"full_dataset_link":["https://www.ebi.ac.uk/metabolights/MTBLS14404"],"author":["He Di. Beijing Tiantan Hospital. 90901507@pku.edu.cn."],"data_transformation_protocol":["Raw LC-MS data were processed using Progenesis QI software (Waters Corporation, Milford, USA) for peak detection, retention time alignment, and integration. Peaks with relative standard deviation (RSD) > 30% in QC samples were removed. Missing values were imputed using the minimum value approach. Data were then log-transformed and normalized to correct for sample variation and heteroscedasticity. Metabolite identification was based on accurate mass, isotope distribution, and MS/MS fragmentation patterns, and matched against multiple databases including HMDB, METLIN, and KEGG. Only metabolites with high-confidence annotation were retained for biological interpretation.
To assess global metabolic differences among groups, principal component analysis (PCA) was performed for unsupervised visualization of sample clustering. Partial least squares discriminant analysis (PLS-DA) and orthogonal PLS-DA (OPLS-DA) were applied to maximize group separation and identify variables contributing to classification. Model quality was evaluated using R²X, R²Y, and Q² parameters, and permutation tests (n=200) were conducted to assess model overfitting. Differential metabolites were identified based on a combination of variable importance in projection (VIP) scores greater than 1 and univariate significance testing (P < 0.05). Volcano plots and hierarchical clustering heatmaps were used to visualize differential metabolites.
"],"study_factor":["Group"],"submitter_email":["hailongzheng801@gmail.com"],"sample_collection_protocol":["At 12 weeks of age, fresh fecal samples were collected from each mouse under sterile conditions to avoid environmental contamination. Samples were immediately transferred into sterile cryogenic tubes and stored at −80°C until further analysis. Mice were then anesthetized, and blood samples were collected via the retro-orbital venous plexus into heparinized tubes. Blood samples were kept at 4°C and subsequently centrifuged to separate serum, which was aliquoted and stored at -80°C for metabolomic analysis. Following blood collection, mice were euthanized, and whole brain tissues were rapidly dissected, snap-frozen in liquid nitrogen, and stored at -80°C until further processing.
"],"omics_type":["Metabolomics"],"study_design":["Thermo Scientific Vanquish UHPLC System","pooled quality control sample","Metabolomics","Mus musculus","Animal Experimentation","blood plasma","Thermo Scientific Orbitrap Exploris 240","untargeted analysis","brain","amyotrophic lateral sclerosis","untargeted metabolite profiling","experimental sample"],"curator_keywords":["Thermo Scientific Vanquish UHPLC System","pooled quality control sample","Metabolomics","Mus musculus","Animal Experimentation","blood plasma","Thermo Scientific Orbitrap Exploris 240","untargeted analysis","brain","amyotrophic lateral sclerosis","untargeted metabolite profiling","experimental sample"],"mass_spectrometry_protocol":["Mass spectrometry was operated in both positive and negative electrospray ionization (ESI) modes. Full-scan MS spectra were acquired from m/z 50-1200 with a resolution of 70,000. Data-dependent MS/MS spectra were obtained at a resolution of 17,500 with stepped normalized collision energies of 20, 40, and 60 eV. QC samples were prepared by pooling equal volumes from all samples and analyzed intermittently to monitor system stability.
"],"metabolite_name":["1-O-Hexadecyl-2-O-(2E-Butenoyl)-Sn-Glyceryl-3-Phosphocholine","Argininosuccinic Acid","Dipropylene Glycol Dimethyl Ether","8-Hydroxytricyclo(5.2.1.02,6)-4-Decene","N-(3-Amino-4-Chlorophenyl)-5-Methyl-1,2-Oxazole-4-Carboxamide","2-(4-Methylpiperazin-1-Yl)Propionic Acid","N-Acetylindole-3-Carboxaldehyde","7-Keto-8-Aminopelargonic Acid","Tetradecamethylcycloheptasiloxane","3-Indole Carboxylic Acid Glucuronide","Ectoine","(2R,4R)-4-Aminopyrrolidine-2,4-Dicarboxylic Acid","Kinetin","2,5-Diamino-3-Fluoro-4-(Trifluoromethyl)Pyridine","2,3-Diaminopyridine","L-Histidine","gamma-Glu-Thr","Polidocanol","Cis-1,2,3,6-Tetrahydrophthalic Anhydride","6-Methyl-5-Hepten-2-One","7-Methylpyrazolo[1,5-A][1,3,5]Triazine-2,4-Diamine","Cinncassiol D2 Glucoside","1-(Quinolin-3-Yl)Methanamine","N-Methylisoleucine","(+/-)-(Z)-2-(5-Tetradecenyl)Cyclobutanone","2-Hydroxy-2-Methylbutyric Acid","Delta-Valerobetaine","1-Oleoyl-Sn-Glycerol","Trans-2-Hydroxycinnamic Acid","Gly-Pro-Arg","8-Oxononanoic Acid","4-Hydroxybenzaldehyde","Phe-Arg-Arg","Quinoline-2-Carboxylic Acid","4-Chloro-2,3-Dihydro-1H-Indole","Naorn(22:6/11:0)","Hexanoylcarnitine","2,4,6-Trimethoxypyrimidine","Koninginin E","Promethazine Sulfoxide","1-Methyl-1H-Indole-3-Carboxamide","(6E)-8-Methylnon-6-Enoylcarnitine","Camphorsulfonic Acid","Secalciferol","Koninginin A","1,4,7-Trioxacyclotridecane-8,13-Dione","1-Hexadecyl-Sn-Glycero-3-Phosphocholine","Prostaglandin E3","Methyl Isoquinoline-3-Carboxylate","D-3-Cyclohexylalanine","20-Carboxy-Leukotriene B4","Molindone","Hexamethoxymethyl Melamine","2-[(3-Methoxypropyl)Amino]Ethanol","6-O-Methyl Guanosine","2-[(Dimethylamino)Methyl]Cyclopentan-1-One","L-Phenylalanine, Methyl Ester","5,8,11-Eicosatriynoic Acid","Lamivudine","11-(3,4-Dimethyl-5-Propylfuran-2-Yl)Undecanoylcarnitine","Pc(O-18:2)","Adenosine Monophosphate","Dg(Lte4/I-17:0/0:0)","Isophorone","N-Methyl-L-Glutamic Acid","gamma-Glu-Glu","Val-Tyr-Arg","Oleamide","N-(3,4-Dimethoxyphenethyl)-1H-Indole-3-Carboxamide","6-Chloro-2H-Chromen-2-One","N-(5-(2,5-Dioxopyrrolidin-1-Yl)Pentyl)-N-Hydroxyacetamide","2-Adamantanone","2-Guanidinopropionic Acid","4-(3-Nitroanilino)-4-Oxobutanoic Acid","5-[(Carboxymethyl)Amino]-5-Oxopentanoic Acid","Prostaglandin C1","L-Ornithine","2-Amino-1-(3-Chlorophenyl)Ethanol","Indoleacetaldehyde","4-(2-Amino-3-Hydroxyphenyl)-2,4-Dioxobutanoic Acid","Platelet Activating Factor","2-Amino-3-[4-(Carboxymethyl)Phenyl]Propanoic Acid","Phe-Gly","1-Piperidinylacetonitrile","2-[(4-Methylbenzyl)Thio]Aniline","Octadecanedioic Acid","Levocarnitine Propionate","N-(2-Hydroxy-3-Methoxy-2-Methylpropyl)-2-(3-Methylphenyl)Acetamide","1,3-Dioxan-2-One","(3-Ethyl-3-Hydroxy-7-Azaspiro[3.5]Nonan-7-Yl)-Thiophen-2-Ylmethanone","(2-Mercaptomethyl-3-Phenyl-Propionyl)-Glycine","5-Chloro-3-Fluoro-2-(2-Hydroxyethylamino)Pyridine","Legumelin","(S,S,S)-Triglycidyl Isocyanurate","(1S,4R,6S)-1-Methyl-4-(Prop-1-En-2-Yl)-7-Oxabicyclo[4.1.0]Heptan-2-One","1-Oleoyl-2-Palmitoyl-Sn-Glycero-3-Phosphocholine","1-(8-Hydroxy-5-Quinolinyl)Ethanone","Ornithine","[2-(4-Chlorophenyl)Pyrrolidin-1-Yl]-(3,5-Dimethyl-1,2-Oxazol-4-Yl)Methanone","(7R)-7-(5-Carboxy-5-Oxopentanoyl)Aminocephalosporinate","2,6-Diaminopurine 2',3'-Dideoxyriboside","D-Glucose","Gonane","Indole","Asn-Val","2-(14,15-Epoxyeicosatrienoyl) Glycerol","S-Allyl-L-Cysteine","Prostaglandin A1","12-Aminododecanoic Acid","4-Methylpyrimidine","Ile-Glu","Dl-3-Phenyllactic Acid","Phthalic Anhydride","Tyr-Gly","Ritipenem","1-[(4-Fluorophenyl)Sulfonyl]Piperidine-4-Carboxylic Acid","Leupeptin","3,7,12-Trihydroxychol-5-En-24-Oic Acid","2-[(4-Amino-6-Anilino-1,3,5-Triazin-2-Yl)Methoxy]Benzaldehyde","N-[2-(4-Prenyloxyphenyl)Ethyl]Tiglamide","Adenosine","Uralenneoside","N'-[(1E,2Z)-2-Methyl-3-Phenylprop-2-En-1-Ylidene]Pyridine-3-Carbohydrazide","3-(L-Menthoxy)-2-Methylpropane-1,2-Diol","Tri(3-Chloropropyl) Phosphate","(3-Phenylpropionyl)Glycine","Ataluren","Indolepyruvate","2-Hydroxypurine","2-(Carboxymethyl)-1-Methyl-1H-Pyrrole-3-Carboxylic Acid","Secnidazole","Pro-Ile","Bis(2-Ethylhexyl) Phthalate","Oleoyl-L-Carnitine","Dec-7-Enedioylcarnitine","5'-N-Ethylcarboxamidoadenosine","Boc-L-Cysteine","(E)-9,10-Dihydroxytetradec-6-Enedioic Acid","Dactimicin","Riboprine","Taurocholic Acid","Pro-Pro-Pro","3-Dehydrosphinganine","Sphingosine","3,4,5-Trimethylphenyl Methylcarbamate","(E)-4-[(1-Methoxy-1-Oxopropan-2-Yl)Amino]-4-Oxobut-2-Enoic Acid","15-Keto-Prostaglandin F2A","2-Amino-2-Cyclopropylacetic Acid","N-Acetyl-L-Aspartic Acid","(9S,10E,12S,13S)-9,12,13-Trihydroxyoctadec-10-Enoylcarnitine","13(S)-Hydroperoxylinolenic Acid","N-Acetyl-2-Hydroxybenzamide","Quinone","Lofemizole","Mycobactins","3-(4-Hydroxy-5-Oxo-3-Phenyl-2H-Furan-2-Yl)Propanoic Acid","gamma-Glu-Phe","L-Iditol","N-(Tert-Butoxycarbonyl)-3-Cyclohexylalanine","3-(2-Aminoethyl)-1H-Indol-6-Ol","Naphtho[1,2-B]Thiophene-2-Carboxylic Acid","Urocanic Acid","Puerol B","Linoleoylcarnitine","Lys-Ala-Thr","Lys-Lys-Thr","L-Prolinamide","1-Benzyl 2-Methyl 1,2-Piperazinedicarboxylate","Cenisertib","Trehalose","Procainamide","Poly Thf N7","(2S)-2-(Dimethylamino)Propanoic Acid","Trans-3-Indoleacrylic Acid","Pe(Pgj2/P-18:0)","N-Lauryldiethanolamine","Guanine","4-(2,5-Dioxo-1-Pyrrolidinyl)Butanoic Acid","Arg-Thr-Lys-Arg","Fluvoxamino Acid","(2S)-2-Aminooctanedioic Acid","2-Amino-1-(4-Chlorophenyl)Ethanone","Cys-Glu-Arg","1-Pentadecanoyl-Sn-Glycero-3-Phosphocholine","Indole-3-Carboxaldehyde","Valnemulin","7-Hydroxytrideca-9,11-Dienoylcarnitine","(3Ar,9As,9Br)-3A,6,6,9A-Tetramethyldodecahydronaphtho[2,1-B]Furan","Trans-Vaccenic Acid","5-Hydroxypentanoic Acid","Desaminotyrosine","Lpc(14:0)","3,4-Dimethyl-5-Pentyl-2-Furanpropanoic Acid","7-Methylguanine","2-Acetylamino-3-Mercapto-3-Methylbutyric Acid","9H-Beta-Carboline-3-Carboxylic Acid","Cyclo(Pro-Pro)","3,6,9,12,15,18,21,24,27,30-Decaoxadotriacontane-1,32-Diol","Sebacoyl-L-Carnitine","Cotinine Glucuronide","D-(+)-Tryptophan","L-Glutathione","3-(Tetradecylamino)-1-Propanol","Desmedipham","Pc(Dime(13,5)/Monome(13,5))","3-(Methoxycarbonyl)But-3-Enoic Acid","4-Hydroxy-6-Methylnicotinic Acid","7,8-Dihydrovomifoliol 9-[Rhamnosyl-(1->6)-Glucoside]","Arachidoyl Ethanolamide","4-Nitrophenyl Beta-D-Glucopyranoside","2-[4-[[4-([1,2,4]Triazolo[4,3-A]Pyridin-3-Yl)Pyrimidin-2-Yl]Amino]Phenyl]Ethanol","5-Methoxytryptophan","Pralatrexate","Pc(Txb2/P-18:1(11Z))","Car(8:1)","1-(5Z,8Z,11Z,14Z,17Z-Eicosapentaenoyl)-Glycero-3-Phosphate","(S)-3-Amino-4-(4-Chlorophenyl)Butanoic Acid","Ibuprofen","2-Decenedioic Acid","D-Glucurone","Diphenyl(2,4,6-Trimethylbenzoyl)Phosphine Oxide","Hyaluronan Biosynthesis, Precursor 1","2-Chloro-L-Phenylalanine","N-Dimethylaminoprostaglandin F2Alpha","9,10-Epoxyoctadecenoic Acid","Rhodojaponin V","1-Palmitoyl-Sn-Glycero-3-Phosphocholine","9-Carboxymethoxymethylguanine","Anandamide","Carnitine","2-Amino-3-(2-Oxoindolin-3-Yl)Propanoic Acid","Hydroquinone","N-Phenyl-L-Glutamine","Beta-Homoproline","Muramic Acid","1-(2,8-Dihydroxyquinolin-5-Yl)Ethan-1-One","2-Acetamido-3-(4-Hydroxy-3-Methoxyphenyl)Propanoic Acid","6''-Malonylcosmosiin","5-Chloroindoline","N7-(2-Carbamoyl-2-Hydroxyethyl)Guanine","6-Chloro-5-Fluoro-2,3-Dihydro-1H-Inden-1-One","2,4-Thiazolidinedicarboxylic Acid, 2-Methyl-","1-(2-Aminophenyl)Ethan-1-Ol","Spb(19:0_2O)","Asp-Asp-Met","1-O-(3,4,5-Trimethoxybenzoyl)-B-D-Glucopyranoside","Vinylsulfonic Acid","6-Benzyl-2-Chloro-5,6,7,8-Tetrahydro[1,6]Naphthyridine","Peiminine","Trans-2-Butene-1,4-Dicarboxylic Acid","(2R)-2-[[(2R)-2-Amino-3-Methylbutanoyl]Amino]-3-(1H-Imidazol-5-Yl)Propanoic Acid","3-Acetyl-2,5-Dimethylfuran","Prostaglandin J2","Thymine","N-Acetylasparagine","4-[(1E,3E)-Hepta-1,3-Dienyl]-3-(Hydroxymethyl)Cyclohexane-1,2-Diol","2-((2R)-2-Hydroxycyclohexyl)Acetic Acid","1,4-Dimethyl-2-Piperazinecarboxylic Acid","Arg-Ala-Tyr","1-Methyladenosine","N-Stearoyl Valine","2,2'-O-Cyclouridine","Sarcosine","2-Furancarboxaldehyde","5-Eicosyne","4-Methylphthalic Anhydride","3-Hydroxy-4-Methoxy-2,3-Dihydropyran-6-One","[4-(Acetylamino)Phenyl]Acetic Acid","Indole-3-Propionic Acid","1-Methylhistamine","Amastatin","Pe(O-14:1/6:0)","Triphosphate","Tetraethylene Glycol","N,N-Dimethylguanosine","(3-Oxo-2,3-Dihydro-4H-1,4-Benzoxazin-4-Yl)Acetic Acid","L-Threonine","Prenoxdiazine","2,3,4,5,6-Pentafluorobenzyl Bromide","(2'E,4'Z,7'Z,8E)-Colnelenic Acid","6,18,19-Trihydroxytrachyloban-2-One","Didemethylcitalopram","Sphingosine 1-Phosphate","3,6,9,12,15,18,21,24,27,30,33,36-Dodecaoxaoctatriacontane-1,38-Diol","(2Z,6E)-6-Methyl-2-(4-Methylpent-3-Enyl)Octa-2,6-Dienoic Acid","4-Ethylbenzaldehyde","Trigonelline","Isoliquiritigenin","Pyridoxal","Flavin Adenine Dinucleotide (Fad)","N2-Ethyl-2'-Deoxyguanosine","Trifolirhizin","N-Gamma-L-Glutamyl-D-Alanine","(2S,3As,7As)-Octahydro-1H-Indole-2-Carboxylic Acid","Pgp(Pgj2/I-14:0)","N6-Succinyl Adenosine","2-Amino-1-Indanol","2-Methyl-3-(2',3'-Dihydroxypropyl)Quinoxaline","7-Methoxy-6-(1,2,3-Trihydroxy-3-Methylbutyl)Chromen-2-One","3-Ureidopropionic Acid","7-Methylguanosine","Quinolin-2-Ol","1-Butyl-5-Oxopyrrolidine-3-Carboxylic Acid","Ubiquinone-1","1-Methylguanosine","4'-Methyl-2,2'-Bipyridine-4-Carboxylic Acid","Alcophosphamide","4-Deoxytetronic Acid","Bi(Cyclohexan)-2-One","N-(2-Methoxyethyl)-7-Methylimidazo[1,2-A]Pyridine-2-Carboxamide","4-Hydroxy-L-Isoleucine","Stearoyl Ethanolamide","5'-Methylthioinosine","6-Amino-1-(2-Methoxyethyl)-2,4(1H,3H)-Pyrimidinedione","Ophiopogonoside A","Arachidonoylcarnitine","L-4-Chlorotryptophan","L-Palmitoylcarnitine","Lpc(17:0)","Gamma-Aminobutyric Acid","3-(Ethoxycarbonyl)-1,3-Thiazolidine-4-Carboxylic Acid","2-Acetamido-5-Oxo-5-(2-Phenylethylamino)Pentanoic Acid","Octopamine","2-Hydroxy-3-(1H-Indol-3-Yl)Butanoic Acid","(9E)-9-Octadecenamide","Dansyl Hydrazine","4-Trimethylammoniobutanoate","3-(4-Methylphenyl)-1H-Pyrazole-4-Carbaldehyde","3-Hydroxy-4-Methoxyxanthone","N'N-Dibutylformamide","8-Amino Caprylic Acid","Lycorine","N-Oleoylethanolamine","(9Z,12Z,15Z)-17-Hydroxyoctadeca-9,12,15-Trienoylcarnitine","5-Hydroxyquinolin-2(1H)-One","Isopyridoxal","Soyasapogenol A","N-(9-Oxodecyl)Acetamide","Dodeca-2(E),4(E)-Dienoic Acid","Succinic Semialdehyde","O-Tert-Butyl-L-Serine","41-O-Demethylrapamycin","L-Valine","Uracil","Trans-11,Cis-15-Octadecadienoic Acid","1,1'-(Octylimino)Dipropan-2-Ol","Cassiaside B","Gln-Phe-Arg","L-Kynurenine","3-Methylbenzaldehyde","Creatine","5-Hydroxy-10,10-Dimethyl-6-Methylenebicyclo[7.2.0]Undecan-2-One","5-Hydroxyindole-3-Acetic Acid","Ophthalmic Acid","(E)-3-Phenylprop-2-Enamide","4-Methylcatechol 2-Glucuronide","3-Hydroxystachydrine","Cytosine","Met-Leu-Tyr","L-N-Acetylhistidine","N6-Methyladenosine","Decaethylene Glycol","(13E)-11A-Hydroxy-9,15-Dioxoprost-13-Enoic Acid","N-Acetyl-L-Prolinamide","L-Pyroglutamic Acid","Erythromycin","Dihydro-4,6-Dimethyl-2-(1-Methylethyl)-4H-1,3,5-Dithiazine","2-[(4-Methylphenoxy)Methyl]Oxirane","4-Formylbenzonitrile","2-(2-Methoxyphenyl)-2-(Methylamino)Cyclohexanone","5,7-Megastigmadien-9-Ol Glucoside","3-Methylnonadecanoylcarnitine","2,2-Dimethyl-4(1H,3H)-Quinazolinone","3'-Ketolactose","Lysopc(19:0)","1-Cyclohexylcyclohexanecarboxylic Acid","Kynurenic Acid","Pe(O-18:3/2:0)","gamma-Glu-Ala","Statine","N-Heptanoyl-L-Homoserine Lactone","Cis-Pinonic Acid","Diosmin","Methyl 6,7-Dimethoxy-4-Ethyl-Beta-Carboline-3-Carboxylate","Melagatran","Octaethylene Glycol","Val-Val","Folinic Acid","Pro-Gln-His","3-Methylheptanedioylcarnitine","Ser-Pro","1-Phenylethanol","N-Decyl-N,N-Dimethyl-1-Decanaminium","P-Cyano Benzoyl Proline","(6Z)-9-Hydroxytetradec-6-Enoic Acid","Carbuterol","Benfuracarb","Anofinic Acid","Asn-Ile-Ile","Tezacitabine","2-(Dimethylamino)Propanol","N-Lactoyl-Phenylalanine","2-Mercaptoethanol","(-)-Carvyl Acetate","(1R,6S)-3-((R)-Oxiran-2-Yl)-7-Oxabicyclo[4.1.0]Heptane","Aminocaproic Acid","Tulathromycin A","Dodec-2-Enedioic Acid","Asp-Leu","3-Aminopiperidine-2,6-Dione","1-Methylinosine","L-(+)-Citrulline","Ser-Arg-Pro","12-Oxo-Ete","Beta-D-Glucopyranosiduronic Acid, 4-(7-Hydroxy-4-Oxo-4H-1-Benzopyran-3-Yl)Phenyl","Argipressin (4-9)","Indole-3-Acetylglutamic Acid","2-Hydroxydesogestrel","5,6-Dihydroxyprostaglandin F1A","2',6'-Dihydroxy-4'-Methoxyacetophenone","2-(Dodecylamino)Ethanol","Aconitic Acid","(13Z)-Eicoseneoylcarnitine","N,N-Diisopropylamine","3-Oxocyclopentanecarboxylic Acid","Leu-Arg-Asn-Arg","3-Amino-3-(2-Chloro-6-Fluorophenyl)-N-Methylpropanamide","Cis-Aconitic Acid","(R)-1-O-[B-D-Apiofuranosyl-(1->2)-B-D-Glucopyranoside]-1,3-Octanediol","11B-Hydroxyandrost-4-Ene-3,17-Dione","Sedanolide","Gly-Val","D-Panthotenate","Cis-Vaccenic Acid","5,7Alpha-Dihydro-1,4,4,7A-Tetramethyl-4H-Indene","Pc(Pgf2Alpha/20:2(11Z,14Z))","3-[(4-Fluorophenyl)Sulfonyl]Propanoic Acid","Nonaethylene Glycol","Decylamine Oxide","Allantoic Acid","3-Hydroxy-3-(Trichloromethyl)-2-Benzofuran-1(3H)-One","3-(5-Phenylthiophen-2-Yl)Prop-2-Ynyl Acetate","Glycerophosphocholine","Norfenefrine","Ergothioneine","Palmitoyl Ethanolamide","Dansylglutamyl-Glycyl-Arginine Chloromethyl Ketone","3-Hydroxy-3-Methyl-2,3-Dihydro-1H-Indol-2-One","5-(Methoxymethyl)-2,3-Pyridinedicarboxylic Acid","N-Eicosapentaenoyl Arginine","3-(3-Chlorophenoxy)Propanoic Acid","Iso-A2E(13-Cis)","1-O-Palmitoyl-2-O-Acetyl-Sn-Glycero-3-Phosphorylcholine","4-Hydroxymandelonitrile Ss-D-Glucoside","Pc(O-20:4)","Alpha-Cyperone","L-A-Lysophosphatidylserine","D-(+)-Raffinose","5-(2,4-Difluorophenyl)-2-Furaldehyde Oxime","3-Thiomorpholinecarboxylic Acid","N-Acetylhistidine","Cocamidopropyl Betaine","2-Amino-2,3-Dihydro-1H-Indene-2-Carboxylic Acid","O-Acetylcarnitine","Carteolol","(R)-(-)-2-Phenylglycinol","7-Ketodeoxycholic Acid","1-(4-Hydroxy-1,3-Dihydroisobenzofuran-1-Yl)Octane-2,3,7-Triol","L-Glutamine","Benzyl 6-O-Beta-D-Apiofuranosyl-Beta-D-Glucoside","5-(4-Methylphenyl)Isoxazole","1-Hexadecanoyl-2-Octadecadienoyl-Sn-Glycero-3-Phosphocholine","(9E)-N-Hydroxy-9-Octadecenamide","3-[(2-Hydroxyethyl)Amino]-1-Propanol","Pc(40:6)","1-[(2R,3S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Oxolan-2-Yl]Pyrimidine-2,4-Dione","2-Amino-2-Methylpropan-1-Ol","N-Acetylmuramate","(2S-,Cis)-5-Benzyl-3,6-Dioxo-2-Piperazineacetic Acid","L-Isoleucine","(4Ar,8As)-Octahydro-2H-Chromen-2-One","4-{[(5,5,8,8-Tetramethyl-5,6,7,8-Tetrahydronaphthalen-2-Yl)Carbonyl]Amino}Benzoic Acid","2-[(2-Bromophenyl)Methoxy]Benzoic Acid","4-(Methylthio)-Butanonitrile","(5E,7E)-3-Aminoundeca-5,7-Dienoic Acid","o-Tyrosine","Sebacic Acid","7Alpha,12Alpha-Dihydroxycholest-4-En-3-One","2-Amino-2-Ethylbutanoic Acid","2-Aminopurine","Chrysogine","(2S)-2-(2-Oxo-1-Pyrrolidinyl)Butanoic Acid","2,6-Diaminopimelic Acid","Atevirdine","L-Isoserine","Phosphorylcholine","N-L-Gamma-Glutamyl-L-Leucine","Pentanamide","4-(Acryloylamino)Benzoic Acid","7-(2-Thienyl)[1,2,4]Triazolo[4,3-A]Pyrimidine","Spaglumic Acid","Gly-Ala-Pro-Met-Phe","S-Butylcysteine Sulfoxide","5-Hydroxy-N-Formylkynurenine","(1-(3-Oxo-2-Aza-Spiro(4.5)Dec-2-Ylmethyl)-Cyclohexyl)-Acetic Acid","2-Hydroxy-2-Phenylpropionamide","Khellactone","Isonicotinamide","Adenosine, 8-(Butylamino)-N-Cyclopentyl-","1-(1Z-Octadecenyl)-Sn-Glycero-3-Phosphocholine","Tetraethylene Glycol Monododecyl Ether","(9E)-7-Hydroxydodec-9-Enoylcarnitine","1-Octylpyrrolidin-2-One","Trp-His-His","L-Erythronic Acid","Ethyl 2-Phenyl-5-(1H-Pyrazol-3-Yl)-1,3-Thiazole-4-Carboxylate","Gemcitabine","Decanoyl-L-Carnitine","Nordihydrocapsaicin","4-Chlorobenzaldehyde","N-Acetyl-L-Proline","3-Hydroxybutyrylcarnitine","Rhodamine 6G","Phe-Hyp","3-Beta-Hydroxy-4-Beta-Methyl-5-Alpha-Cholest-7-Ene-4-Alpha-Carboxylate","gamma-Glu-Tyr","N-[2-Hydroxy-2-[4-(Trifluoromethyl)Phenyl]Ethyl]-4-Methylthiophene-2-Carboxamide","Lobucavir","4'-Nitrosuccinanilic Acid","3,7,8,15-Scirpenetetrol","2-Ethylpentanedioylcarnitine","Piperidine","Ethoxyquin","D-(+)-Proline","Pro-Pro","Cervonyl Carnitine","Indolmycin","Aminopentol","Topotecan","Dihydrocaffeic Acid","Trimethylamine N-Oxide","D-P-Chlorophenylalanine","Phosphocholine","(10Z)-Nonadec-10-Enoylcarnitine","Dl-2-Aminocaprylic Acid","3,3',5,5'-Tetraisopropylbiphenyl-4,4'-Diol","Methylmalonic Acid","Salazinic Acid","G-Glu-Val","Leu-Pro","2-Piperidinecarbonitrile","Riboflavin","N-Isovaleroylglycine","L-Octanoylcarnitine","6-(3,5-Dimethyl-1H-Pyrazol-1-Yl)-3(2H)-Pyridazinone","5-Nitro-2-(3-Phenylpropylamino)Benzoic Acid","2-Deoxy-2,3-Dehydro-N-Acetyl-Neuraminic Acid","1-Aminocyclopentane-1-Carboxamide","(12E)-10-Hydroxytetradec-12-Enoic Acid","Carboxyethyllysine","Cholesteryl Ferulate","Cerp(19:0_2O/2:0)","N6,N6,N6-Trimethyl-L-Lysine","Hexanoylglycine","Heptadecasphing-4-Enine","Val-Trp","N'-(4-Amino-2-Hydroxybutyl)Lysine","Dinoprost","4-Ethyl-4-Methyl-2,6-Piperidinedione","1,3-Thiazolidine-4-Carboxylic Acid","Anisperimus","L-Homophenylalanine","L-Proline","6-Hydroxyoctanoylcarnitine","Iminodiacetic Acid","Barbamate","2-Furanmethanol","5-(Hydroxyphenyl)-Gamma-Valerolactone-O-Sulphate","2,2,2-Trifluoro-1-(Pyridin-3-Yl)Ethane-1,1-Diol","D-(+)-Pipecolinic Acid","(16R)-19-Acetoxy-17-(Isobutyryloxy)Kaurane-18-Oic Acid","Thiochrome","Ser-Pro-Lys","Dicyclohexylamine","1-[(E)-3-Hydroxybut-1-Enyl]-2,2,6-Trimethyl-Cyclohexane-1,4-Diol","2-[[2-[(2-Amino-3-Carboxypropanoyl)Amino]Acetyl]Amino]Butanedioic Acid","Butyrylcarnitine","1-Nitro-5-Hydroxy-6-Glutathionyl-5,6-Dihydronaphthalene","(7Z,11Z,14Z)-Hexadeca-7,11,14-Trienoylcarnitine","N-Alpha-(Tert-Butoxycarbonyl)-L-Glutamic Acid","Triethylene Glycol","1-Myristoyl-Sn-Glycero-3-Phosphocholine","N-(Cyclopropylmethyl)Glycine","4-(2-Oxo-2,3-Dihydro-1H-Benzimidazol-1-Yl)Butanoic Acid","3,7-Dihydroxy-12-Oxocholanoic Acid","4-(3,4-Dimethylphenyl)-1-Thia-4-Azaspiro[4.5]Decan-3-One","(2S)-2-[[(2R)-2-Amino-3-Carboxypropanoyl]Amino]Pentanedioic Acid","(E)-3,10-Dihydroxy-4,9-Dimethyldodec-6-Enedioic Acid","Gly-Arg-Phe","Clocapramine","Galactocerebroside","Ethyl Benzoate","N-Acetyl-D-Phenylalanine","12R-Hydroxy-5Z,8Z,10E,14Z-Eicosatetraenoic Acid","(4Z)-3-Hydroxytetradec-4-Enedioylcarnitine","5-Methyl-2-Phenyl-1H-Imidazole-4-Carboxylic Acid","(2Z)-6-Hydroxy-2-(3-Hydroxybenzylidene)-1-Benzofuran-3(2H)-One","Quinoline-4,8-Diol Sulfate","Cysteineglutathione Disulfide","8-Azaguanine","Guanosine","Diphenylphosphinic Acid","1-Cyclohexyl-3-[[1-(Hydroxymethyl)Cyclopropyl]Methyl]Urea","But-2-Ynediamide","Ala-Tyr-Arg","Cytochalasin B","Methyl 2-Acetamido-4-Amino-4-Oxobutanoate","2-Aminooctadec-4-Yne-1,3-Diol","Tetradecanoylcarnitine","(5E)-Tetradec-5-Enedioic Acid","Car(22:4)","Phenmedipham","L-Pipecolic Acid","10H-Phenothiazin-10-Yl(Piperidin-1-Yl)Methanone","Pirprofen","Eriojaposide B","(1S,3R)-1-Aminocyclopentane-1,3-Dicarboxylic Acid","Choline Alfoscerate","3,9-Dihydroxydodecanoic Acid","Cucurbitin","N-Stearoyl Threonine","5Alpha-Pregnane-3Alpha,21-Diol-11,20-Dione","Diminazene","2-Hexen-1-Ylsuccinic Anhydride","Pe(19:1(9Z)/0:0)","N-Tetradecanoyl-Dl-Homoserine Lactone","Glu-Phe","Phenethylamine Glucuronide","Cyclooct-4-En-1-Ol","Benzyl 3-Fluorophenylcarbamate","Alpha-Bungarotoxin","Peg N12","Equol","(3E,5E,8Z)-Deca-3,5,8-Trienedioylcarnitine","4-Oxo-2-Nonenal","Isoindoline","Dimethyldibenzylidene Sorbitol","Thr-Ala","Bilibubin","1-O-Octadecyl-Sn-Glyceryl-3-Phosphorylcholine","Silmitasertib","N-Acetyl-S-(N-Propyl)-L-Cysteine","N,N-Diisopropylethylamine","Suberylglycine","Alpha-Methylene-Gamma-Butyrolactone","Phe-Lys","Tetradecyldiethanolamine","Acetylphosphate","(6-Methyl-2-Pyridinyl)Methanol","Pc(Pgf1Alpha/16:0)","3-[4-Methyl-1-(2-Methylpropanoyl)-3-Oxocyclohexyl]Butanoic Acid","(12E)-10-Hydroxytetradec-12-Enoylcarnitine","Tyr-Val-His","L-Tyrosine","(3,4-Dihydroxyphenyl)Ethanol","(5E,9E)-Farnesylacetone","Hydroxyoctadecadienoic Acid","(R)-2-Feruloyl-1-(4-Hydroxyphenyl)-1,2-Ethanediol","Uric Acid","Glu-Trp","Tetrahydro-2,2,5,5-Tetramethylfuran","R-Palmitoyl-(2-Methyl) Ethanolamide","Pinolenic Acid","(2R)-3-Hydroxyisovaleroylcarnitine","6Beta-Hydrocodol N-Oxide","N-(1H-Indol-3-Ylacetyl)Glycine","(2E,4E)-N-(1-Hydroxy-3-Methylpentan-2-Yl)-2-Methylhexa-2,4-Dienamide","N6-Acetyl-L-Lysine","N-Acetyl-D-Norleucine","(1-Methyl-1H-Imidazol-4-Yl)Acetic Acid","Spermidine","Triethylamine","2-Ethyl-2-Phenylmalonamide","Dibekacin","2-Naphthylamine","4-(1,3-Benzothiazol-2-Yl)Butanoic Acid","2-Hydroxycinnamic Acid","Diisobutyl Phthalate","Pyrene-4,5-Dione","Isopersin","(8Ar)-2-Methyl-7-(2-Pyrazinylcarbonyl)Hexahydroimidazo[1,5-A]Pyrazin-3(2H)-One","O-(13-Carboxytridecanoyl)Carnitine","Aflatoxin M1","2-(Acetylamino)-4-Phenylbutanoic Acid","Thiazolidine-2-Carboxylic Acid","1-Piperidinecarboxylic Acid, 3-Methoxy-4-Oxo-, Ethyl Ester","Propionylcarnitine","Ethyl (4-Tert-Butylphenoxy)Acetate","Pe(20:3/20:3)","Gly-Gly-Val","5-Hydroxy-6-Methoxyindole Glucuronide","2-(2-Thienyl)Chromone","(S,S)-(-)-Hydrobenzoin","Entacapone","6,7-Dihydroisoquinolin-8(5H)-One","(E)-3-(8-Hydroxy-6-Methoxy-1-Oxoisochromen-3-Yl)Prop-2-Enoic Acid","N(6)-Methyllysine","Trans-Hexadec-2-Enoyl Carnitine","N-Acetyl-Dl-Glutamic Acid","Beta-Ionone","(13Z)-Docos-13-Enoylcarnitine","N-Acetyl-L-2-Aminoadipate(2-)","Methyl Palmitate","Pe(16:1/22:4)","(9Z)-Pentadec-9-Enoylcarnitine","Methyl Trans-4-Oxo-2-Pentenoate","5'-Methylthioadenosine","N-(3-Chloro-4-Methylphenyl)-2-(5-Pyrazin-2-Yl-1,3,4-Oxadiazol-2-Yl)Acetamide","Oxacillin","Octadecanamide","Perillaldehyde","Methyl 6-Aminonicotinate","D-Pyroglutamic Acid","N-(4-Oxopentyl)Acetamide","Tyr-Phe-Lys","Triethylene Glycol Monobutyl Ether","2-Amino-5-Methylhexanoic Acid","S-(2-Carboxyethyl)-L-Cysteine","Pi(Pgf2Alpha/22:2(13Z,16Z))","1-Formylpyrrolidine-2-Carboxylic Acid","1-(4-Acetylphenyl)-1H-Pyrrole-2,5-Dione","Cefpodoxime","8-P-Tolyaminonaphthalene-1-Sulfonic Acid","Lanthionine Ketimine","Indoline-2-Carboxylic Acid","Dide-O-Methylsimmondsin","Dexamethasone","1,2-Didocosahexaenoyl-Sn-Glycero-3-Phosphocholine","2,2,5,5-Tetramethyl-1,3-Oxazolidin-4-One","L-Alpha-Amino-1H-Pyrrole-1-Hexanoic Acid","(1Xi,3Xi)-1,2,3,4-Tetrahydro-1-Methyl-Beta-Carboline-3-Carboxylic Acid","Methyl 4-Hydroxy-8-Methoxy-2-Quinolinecarboxylate","Fructosyl-Lysine","3,4-Dimethyl-2,5-Bis(3,4,5-Trimethoxyphenyl)Oxolane","Pe(O-18:4/2:0)","6-(4-Fluorophenyl)-3(2H)-Pyridazinone","N,N-Dimethylformamide","4-Morpholinesulfonamide","(2S,5R)-5-Hydroxy-2-Piperidinecarboxylic Acid","1-O-Hexadecyl-2-O-Acetyl-Sn-Glyceryl-3-Phosphorylcholine","N-Acryloyl-Dl-Aspartic Acid","N-Stearoyl Arginine","Lpc(18:3-Sn1)","Dl-Pyroglutamic Acid","S-3-Oxodecanoyl Cysteamine","2-Amino-4,5-Dimethylbenzoic Acid","17Alpha,20Alpha-Dihydroxypregn-4-En-3-One","Cortisol","3-Methyl-1-Butylamine","Leu-Leu","6-Lactoyltetrahydropterin","Methyl Isobutyl Ketone","3,7-Diaminoheptanoic Acid","2-Amino-1-Phenylethanol","Pipecolic Acid","N-Epsilon-Acetyl-L-Lysine","2-Oxaspiro[4.4]Nonan-1-One","Lotaustralin","L-Threoninamide","3A,7A,12A-Trihydroxy-5B-Cholestan-26-Al","Serine Methyl Ester","Grayanotoxin","Cytidine","17-Aminogeldanamycin","Dioctyl Decanedioate","Vedroprevir","L-Lysine","N-Acetyl-D-Tryptophanamide","(1R)-1-(2-Chlorophenyl)Ethanamine","1-Phenylpropane-1,2-Dione","N-Acetyl-Dl-Serine","1-(2-Hydroxyethyl)Pyrazole","2-Oxo-5-(3,3-Dimethylguanidine-1-Yl)Pentanoic Acid","(3S)-3-Amino-4-(3-Chlorophenyl)Butanoic Acid","N-Alpha-Acetyllysine","Octylamine","Amylamine","Diethylene Glycol","Peg N7","Cer(8:1_2O/5:0)","Acetyl-L-Carnitine","2-(Octylamino)Ethanol","4-Oxo-4-(4-Toluidino)But-2-Enoic Acid","6-(3-(Trifluoromethyl)Phenoxy)Picolinic Acid","Lpc(16:2-Sn1)","D-Glucose 6-Phosphate","(6Z)-Oct-6-Enedioylcarnitine","Pc(Txb2/P-16:0)","22-Hydroxydocosanoic Acid","Dl-Beta-Homophenylalanine","4-Acetyl-3-Ethyl-N,5-Dimethyl-1H-Pyrrole-2-Carboxamide","4-Morpholinopropanesulfonic Acid","Amphotericin B","Lpc(19:1-Sn1)","Pantetheine 4'-Phosphate","Pgp(5-Iso Pgf2Vi/I-14:0)","3-(Methylthio)Azetidine","2,6,6-Trimethyl-2-Cyclohexene-1,4-Dione","Oxazine","Polyporenic Acid C","4-Chlorocinnamic Acid","4-Hydroperoxy-2-Nonenal","Platelet Activating Factor-Acether","1,2-Didecanoyl-Sn-Glycero-3-Phosphocholine","P-Butenylphenol Sulfate","(2E)-4-Anilino-4-Oxo-2-Butenoic Acid","L-Homoserine","1-Methyl-L-Histidine","Dibutyl Phthalate","4-Hydroxy-L-Proline Ethyl Ester","Linolenic Acid","Epinepetalactone","2-[(2-Hydroxyethyl)(Octyl)Amino]Ethanol","2-Methoxy-5-Propylphenol","N-Stearoyl Tryptophan","N-(10-Hydroxy-10-Methylundecyl)Acetamide","N-[2-(Dibutylamino)Ethyl]-2-[(Thiophen-2-Yl)Formamido]Acetamide","Imazapic","Pro-Ile-Arg","1-Ethyl-3-Piperidinamine","Pe(O-18:4/4:0)","(+)-Gallocatechin","N-[3,5-Bis(Trifluoromethyl)Phenyl]-2-Pyrrolidin-1-Ylacetamide","4-Fluoro-L-Phenylalanine","Isovaleryl-L-Carnitine","L-Pyridosine","Butylisopropylamine","Phenaceturic Acid","Carnosine","Solidagenone","Floverine","Vigabatrin","Linoleamide","Ile-Pro","Nopalinic Acid","Ethyl 1-Aminocyclopropanecarboxylate","Methyl 2-Amino-3,3-Dimethylbutanoate","Cyclic N-Acetylserotonin Glucuronide","4-Amino-2-Butenoic Acid","Glu-Gln","Niacinamide","Serotonin","Apigenin 7-Glucuronide","Alpha-Methyltryptamine","Estrane","2(5H)-Furanone","Lpe(16:0)","2-(2-Chlorophenyl)-2-(4-Morpholinyl)Ethylamine","Cycloleucine","L-Homocitrulline","(6Z,9Z,12Z,15Z,18Z,21Z)-Tetracosa-6,9,12,15,18,21-Hexaenoylcarnitine","6-Hydroxy-4,4,7A-Trimethyl-6,7-Dihydro-5H-1-Benzofuran-2-One","Phosphatidylcholine Lyso 18:0","4-Guanidinobutanoic Acid","Inosinic Acid","Cer(8:1_2O/4:0)","Racemethionine","(S1)-Methoxy-3-Heptanethiol","Palmitic Amide","2-Aminooctadec-8-Ene-1,3,4-Triol","3-Hydroxymethyl-5,5-Dimethylimidazolidine-2,4-Dione","1-(9Z-Eicosenoyl)-Sn-Glycero-3-Phosphocholine","8-Hydroxyquinoline","Benzo[Cd]Indol-2(1H)-One","1-(4-Ethylphenyl)-5-Oxo-3-Pyrrolidinecarboxylic Acid","2-((3-Aminopropyl)Amino)Ethanethiol","Ala-Ile","4-Hydroxy-1-Prolylpyrrolidine-2-Carboxylic Acid","Quinaldic Acid","3-Aminooctanoic Acid","Pe(18:4/22:5)","L-Glutamic Acid","7-Amino-2-Naphthol","Trans-Cinnamic Acid","Omega-Hydroxyfinasteride","4-(Ethylsulfanyl)Butanoic Acid","2-Cyano-N-(3-Cyanothiophen-2-Yl)Acetamide","5-Amino-1-Naphthol","N-Acetyl-Neuraminic Acid","N-Arachidonoyl-Gamma-Aminobutyric Acid","N-(6-Aminohexyl)-5-Chloro-1-Naphthalenesulfonamide","N-Hexadecyl Diethanolamine","Syringetin","N'-[(4-Methylphenyl)Methylidene]Isonicotinohydrazide","N-Alpha-Acetyl-L-Arginine","Spermine","Levan","1-(2-Chloro-4-Methylphenyl)-5-Oxo-3-Pyrrolidinecarboxylic Acid","1-Mesityl-5-Oxo-3-Pyrrolidinecarboxylic Acid","Lpc(18:1-Sn1)","(+)-Lariciresinol","Hypoxanthine","13E-Docosenamide","L-1,2,3,4-Tetrahydro-Beta-Carboline-3-Carboxylic Acid","12-Ketolithocholic Acid","Gly-Trp","3-Chlorobenzamide","2-Docosahexaenoyl-1-Palmitoyl-Sn-Glycero-3-Phosphoethanolamine","Abietane","Hydroxyrepaglinide","N-Formylnornicotine","Delprostenato","N-Acetyl-L-Serine","Docosahexaenoyl Ethanolamide","1-[4-(Propanoylamino)Phenyl]Cyclobutane-1-Carboxylic Acid","Cytarabine","1-Benzyl-1H-Imidazole-2-Carboxylic Acid","3-Cyclohexyl-1,1-Dimethylurea","N1,N1-Dimethyl-1,4-Butanediamine","5-Hydroxyindole","1-(2-Hydroxy-4,5-Dimethylphenyl)Ethanone","5-Methyluridine","4-(Dimethylamino)-N-[7-(Hydroxyamino)-7-Oxoheptyl]Benzamide","1-O-Galloylglycerol","Sulfametrole","2-Aminonicotinic Acid","Pc(38:5)","Triisopropanolamine","Adenine","3-[(1E,3E)-Hepta-1,3-Dienyl]Pentanedioic Acid","5-Hydroxy-L-Tryptophan","6-Amino-1-(2-Chlorobenzyl)Pyrimidine-2,4(1H,3H)-Dione","N-Fructosyl Phenylalanine","Gly-Phe","1-Hexadecylpyridinium","3-[3-(1-Benzofuran-2-Yl)-1-Phenyl-1H-Pyrazol-4-Yl]Acrylic Acid","Hexaethylene Glycol","Spb(16:1_2O)","Adenosine 5'-Monophosphate","N-Fructosyl Isoleucine","3-Amino-4-(4-Chloro-3,5-Dimethylphenoxy)Benzotrifluoride","Lumichrome","Scillipheosidin 3-[Glucosyl-(1->2)-Rhamnoside]","2-Methylhippuric Acid","Ethyl N-(Thiadiazol-4-Ylmethylideneamino)Carbamate","2-Pyrrolidinone","N-Stearoyl Cysteine","Acetyl-L-Threonine","Pe(18:3/22:4)","4-Formyl Indole","(2S)-1-(3-Carboxypropanoyl)-2-Pyrrolidinecarboxylic Acid","6-Hydroxypentadecanedioic Acid","N-(4-Methylpentanoyl)Phenylalanine","2-(2-Butoxyethoxy)Ethyl Acetate","(1S)-1-(4-Methylphenyl)Ethanol","Methyl Butyrate","Indolophenanthridine","Caffeine","1,2,3,4-Tetrahydro-3-Isoquinolinecarboxylic Acid","M-Coumaric Acid","3-Hydroxybenzaldehyde","Acetyl Dl-Carnitine","Nonapropylene Glycol Monobutyl Ether","N-(3-Methoxybenzyl)Palmitamide","Queuine","L-(+)-Arginine","2,3,4-Trihydroxybutanoic Acid","Bis(2-Ethylhexyl) Sebacate","L-Methionine","4-Hydroxyhexenal","Dihydrouracil","N-Acetylcaprolactam","Ethyl 1-(Cyanomethyl)-4-Piperidinecarboxylate","3,6,9,12,15,18,21,24,27,30,33,36,39-Tridecaoxahentetracontane-1,41-Diol","3-Oxotridecanoylcarnitine","Lpe(18:0)","4-Amino-3-Hydroxybutyrate","All-Trans-Heptaprenyl Diphosphate","Hexanoyl-L-Carnitine","(2E)-3-(2-Cyanophenyl)-2-Propenoic Acid","12-Hydroxyheptadecanoylcarnitine","Lys-Thr","4-Piperidinone, 1-Hydroxy-2,2,6,6-Tetramethyl-","Ps(Pgf1Alpha/16:0)","Penitrem D","Malptll","(7Z)-Tetradec-7-Enoylcarnitine","Heptaethylene Glycol Monododecyl Ether","Piperidines","2-(Tetradecylamino)Ethanol","Methionine Sulfoxide","Menthyl Ethylene Glycol Carbonate","8-Methoxy-4-Oxo-1,4-Dihydroquinoline-2-Carboxylic Acid","Asp-Ile","Pe(O-16:2/2:0)","Glutaric Anhydride","2-Amino-4-Oxo-6-(1',2'-Dioxoprolyl)-7,8-Dihydroxypteridine","L-Acetylcarnitine","Cibaric Acid","Adenosine 2',3'-Cyclic Monophosphate","Pro-Val","(-)-Epigallocatechin","4'-Butyl-1,1'-Bi(Cyclohexyl)-4-Carboxylic Acid","4-Oxododecanedioic Acid","3-(4-(Methylamino)-3-Nitrobenzylidene)Thiochroman-4-One","Violaceol Ii","Leu-Glu","Thymidine","Rubschisandrin","5-(4-Methoxy-3-Methyl-2-Oxo-2H-Pyran-6-Yl)-3-Methylhex-4-Enoic Acid","Tranexamic Acid","Hexadecenal","3-Methylglutarylcarnitine","L-2-Aminoadipic Acid","2-Anilinopropanoic Acid","Methyl (2R,4S)-4-Hydroxy-2-Piperidinecarboxylate","8-Hydroxytrtradeca-10,12-Dienoylcarnitine","D-Octopine","N1-(2,4-Dinitrophenyl)Ethane-1,2-Diamine","7A-Hydroxydehydroepiandrosterone","Methyl Heneicosanoate","O-Acetyl-L-Serine","N-Acetyl-Dl-Tryptophan","Benzaldehyde","3-Hydroxy-2-Oxoindole","Erucamide","Cidofovir","Theanine","Val-Thr-Trp","Lpc(18:2)","4-Chloro-N'-(6-Methylpyridazin-3-Yl)Benzohydrazide","Gly-Pro","Histamine","Oxypurinol","1-Arachidoyl-2-Hydroxy-Sn-Glycero-3-Phosphocholine","1-Formyl-L-Tryptophan","Citroflex 4","Gly-Asp","1H-Indole-7-Carboxylic Acid","Gly-4-Hyp","3-Hydroxytetradeca-4,6,8-Trienoic Acid","3-Hydroxyhept-4-Enoylcarnitine","5'-Fluoro-2'-Hydroxy-4-Methylchalcone","6,8-Dihydroxypurine","Dianix Efb","(4E,15Z)-Bilirubin","Lpc(18:1)","N6-Carbamoyl-L-Threonyladenosine","Khelmarin D","Adenosine 3'-Monophosphate","Pc(O-21:5)","4,6-Dihydroxy-2-(Hydroxymethyl)-5-Propan-2-Ylcyclohex-2-En-1-One","6-Hydroxyheptanoylcarnitine","Prostaglandin F3A","5-Cyanopentanamide","(2R)-6-Oxo-2-Piperidinecarboxylic Acid","9-Arabinofuranosyladenine","Ethyl 3-Hydroxydodecanoate","Panuosterone","Ethyl 1-Amino-1-Cyclobutanecarboxylate","Lpc(18:0)","Lauroyl-L-Carnitine","6-[3-(2-Carboxyethyl)-5-Hydroxyphenoxy]-3,4,5-Trihydroxyoxane-2-Carboxylic Acid","Pentaethylene Glycol","Cycloheptanone","Phenylacetic Acid","Acetolein","Isatin","Daidzein","2-Piperidinecarboxamide","Grotan","Prostaglandin F2A","Thr-Val-Lys"],"additional_accession":[]},"is_claimable":false,"name":"Microbiota-derived p-cresol and indole metabolites mediates neurotoxic gut-brain axis dysregulation in ALS","description":"Integrated metabolomic profiling demonstrated a marked increase in microbiota-derived metabolites, particularly along aromatic amino acid pathways. Notably, p-cresol metabolites were significantly elevated in both brain and circulation, suggesting enhanced microbial phenylalanine/tyrosine metabolism. Accordantly, microbiota analysis revealed persistent dysbiosis, characterized by enrichment of taxa associated with p-cresol production. The SIM analysis of MNs further validated the ultrastructural abnormalities induced by p-cresol sulfate at organelle level. Herbal intervention exacerbated disease progression by enhancing microbiota-dependent metabolic reprogramming, rather than restoring microbial homeostasis. Notably, these pathway-specific alterations are not reflected in population-scale metabolomics data from the UK Biobank, highlighting a critical limitation of conventional metabolic profiling.","dates":{"publication":"2026-08-21","submission":"2026-04-29"},"accession":"MTBLS14404","cross_references":{"HMDB":["HMDB0000224","HMDB0000745","HMDB0000211","HMDB0011105;PW_C006748","HMDB0000134;PW_C000088","HMDB0000191;PW_C000123","HMDB0245001","HMDB0001429;PW_C001104;PW_C097007","HMDB0001078;HMDB0304312;HMDB0304312","HMDB0000052","HMDB0001473;PW_C001134","HMDB0014643","HMDB0302833","HMDB0000618;PW_C000479","HMDB0000539","HMDB0000807;PW_C000644","HMDB0000766","HMDB0038662","HMDB0062502","HMDB0040632","HMDB0031233","HMDB0000462","HMDB0011111","HMDB0000773","HMDB0000230;HMDB0000773;PW_C000155","HMDB0000119;PW_C000075","HMDB0011738","HMDB0038347","HMDB0002070;PW_C001391","HMDB0041705","HMDB0029057","HMDB0247051","HMDB0000150;PW_C000097","HMDB0028815","HMDB0248228","HMDB0000788","HMDB0012234","HMDB0006293","HMDB0001481","HMDB0060649","HMDB0061067","HMDB0003540;PW_C001918","HMDB0003337;HMDB0011691;HMDB0003337;PW_C001847","HMDB0031700","HMDB0002273","HMDB0006029","HMDB0000156","HMDB0003355","HMDB0035359","HMDB0258086","HMDB0253711","HMDB0000208;PW_C000134","HMDB0059996","HMDB0000617","HMDB0000620;LMFA01170109","HMDB0000694;PW_C000546","HMDB0252227","HMDB0029031","HMDB0304063","HMDB0060471","HMDB0304558","HMDB0060466","HMDB0245244","HMDB0003764","HMDB0060617","HMDB0253873","HMDB0240292","HMDB0258579","HMDB0001844;LMFA01170119","HMDB0000444","HMDB0031665","HMDB0002331","HMDB0258967","HMDB0000296;PW_C000202","HMDB0003831","HMDB0251588","HMDB0000011;PW_C000258","HMDB0001067","HMDB0004381","HMDB0000710","HMDB0341082","HMDB0000509","HMDB0000008;PW_C000004","HMDB0250639","HMDB0011617","HMDB0060300","HMDB0000425","HMDB0248316","HMDB0034266","HMDB0248114","HMDB0000039;LMFA01010004;PW_C000028","HMDB0000321","HMDB0245812","HMDB0000159;PW_C000104","HMDB0000473","HMDB0006790","HMDB0000299;PW_C000203","HMDB0012880","HMDB0028827","HMDB0029104","HMDB0030394","HMDB0012204","HMDB0001373;LMFA07050315;PW_C001061","HMDB0304791","HMDB0250707","HMDB0246614","HMDB0341108","HMDB0240264","HMDB0272425","HMDB0039350","HMDB0002194","HMDB0304912","HMDB0257135","HMDB0000929;PW_C000741","HMDB0250970","HMDB0000759","HMDB0341432","HMDB0037475","HMDB0000959","HMDB0000797","HMDB0061881","HMDB0011745","HMDB0259683","HMDB0340289","HMDB0041734","HMDB0029073","HMDB0000881;PW_C000703","HMDB0248164","HMDB0011719","HMDB0000491;PW_C000373","HMDB0060389","HMDB0250651","HMDB0001198","HMDB0011658","HMDB0028980","HMDB0031407","HMDB0125166","HMDB0258836","HMDB0029082","HMDB0003950","HMDB0010362","HMDB0028871","HMDB0304629","HMDB0060354","HMDB0029101","HMDB0060329","HMDB0304914","HMDB0240522","HMDB0251081","HMDB0013676","HMDB0035514","HMDB0240474","HMDB0000687;PW_C000540","HMDB0011756","HMDB0259258","HMDB0242656","HMDB0003601","HMDB0002035","HMDB0252486","HMDB0006355","HMDB0011686","HMDB0004362","HMDB0013292","HMDB0341280","HMDB0000563","HMDB0002215","HMDB0246418","HMDB0000350","HMDB0243858","HMDB0041832;LMPK12111081","HMDB0243955","HMDB0341389","HMDB0028880","HMDB0030452","HMDB0000466","HMDB0240482","HMDB0000424","HMDB0041731","HMDB0125171","HMDB0031522","HMDB0000010","HMDB0254742","HMDB0015187","HMDB0061112","HMDB0244386","HMDB0033245","HMDB0256138","HMDB0000784;LMFA01170054","HMDB0035635","HMDB0341143","HMDB0002466","HMDB0248298","HMDB0254205","HMDB0245462","HMDB0000734","HMDB0253144","HMDB0060809","HMDB0258829","HMDB0247166","HMDB0028709","HMDB0259093","HMDB0252764","HMDB0003217;LMPK12050218","HMDB0303810","HMDB0341395","HMDB0256780","HMDB0256958","HMDB0000901;PW_C000720","HMDB0029529","HMDB0340793","HMDB0304933","HMDB0251734","HMDB0003252;PW_C001820","HMDB0000933;LMFA01170002","HMDB0037345","HMDB0249541","HMDB0005998;LMFA03060009","HMDB0002056","HMDB0254852","HMDB0302539","HMDB0061643","HMDB0036619;LMPK12110189","HMDB0001403;PW_C001084","HMDB0010205","HMDB0000623;LMFA01170009","HMDB0037604","HMDB0250542","HMDB0248395","HMDB0002121","HMDB0000220","HMDB0000222;LMFA07070004","HMDB0041194","HMDB0000760;LMST04010064","HMDB0001140;LMFA06000028","HMDB0035302","HMDB0061690","HMDB0002294;LMFA04030001","HMDB0000394","HMDB0041287","HMDB0036766","HMDB0041527","HMDB0034091","HMDB0032255","HMDB0000467","HMDB0041365","HMDB0005783","HMDB0242018","HMDB0037381","HMDB0253047","HMDB0341483","HMDB0240600","HMDB0007991","HMDB0012535","HMDB0303141","HMDB0010728","HMDB0004243;PW_C002105","HMDB0034551;LMPR0106150034","HMDB0062742","HMDB0030008;LMPR02020056","HMDB0002577","HMDB0060048","HMDB0011478","HMDB0033481","HMDB0000946;LMST04010033","HMDB0031057","HMDB0000526","HMDB0034671","HMDB0038484","HMDB0011496","HMDB0288964","HMDB0015046","HMDB0060580","HMDB0252912","HMDB0011474","HMDB0011487","HMDB0242435","HMDB0010386","HMDB0000673;LMFA01030120;PW_C000530","HMDB0250270","HMDB0062332","HMDB0001087","HMDB0010401","HMDB0011493","HMDB0012455","HMDB0254830","HMDB0011503","HMDB0038527","HMDB0060533","HMDB0012515","HMDB0011483","HMDB0010392","HMDB0002183;PW_C001472","HMDB0013648","HMDB0254173","HMDB0242185","HMDB0247018","HMDB0242398","HMDB0001043;LMFA01030001;PW_C000821","HMD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