These metabolites were annotated using the KEGG database
(https://www.genome.jp/kegg/pathway.html), HMDB database (https://hmdb.ca/
metabolites) and LIPIDMaps database (http://www.lipidmaps.org/). Principal
components analysis (PCA) and Partial least squares discriminant analysis (PLS-DA)
were performed at metaX[6] (a flexible and comprehensive software for processing
metabolomics data).We applied univariate analysis (t-test) to calculate the statistical
significance (P-value).The metabolites with VIP > 1 and P-value< 0.05 and fold
change≥2 or FC≤0.5 were considered to be differential metabolites. Volcano plots
were used to filter metabolites of interest which based on log2(FoldChange) and
-log10(p-value) of metabolites by ggplot2 in R language.
"],"repository":["MetaboLights"],"study_status":["Public"],"ptm_modification":[""],"instrument_platform":["Liquid Chromatography MS - positive - hilic","Liquid Chromatography MS - negative - hilic"],"chromatography_protocol":["UHPLC-MS/MS analyses were performed using a Vanquish UHPLC system
(ThermoFisher, Germany) coupled with an Orbitrap Q ExactiveTM HF mass
spectrometer or Orbitrap Q ExactiveTMHF-X mass spectrometer (Thermo Fisher,
Germany) in Novogene Co., Ltd. (Beijing, China). Samples were injected onto a
Hypersil Goldcolumn (100×2.1 mm, 1.9μm) using a 12-min linear gradient at a flow
rate of 0.2 mL/min. The eluents for the positive and negative polarity modes were
eluent A (0.1% FA in Water) and eluent B (Methanol). The solvent gradient was set
as follows: 2% B, 1.5 min; 2-85% B, 3 min; 85-100% B, 10 min; 100-2% B, 10.1 min;
2% B,, 12 min.
"],"publication":["Multi-omics analysis identifies gut microbiota-glutamine axis contributing to the pathogenesis of reflux esophagitis."],"submitter_name":["Zhiyi Zhang"],"submitter_affiliation":["beijing children's hospital"],"organism_part":["serum"],"technology_type":["mass spectrometry assay"],"disease":[""],"extraction_protocol":["The samples (100 μL) were placed in the EP tubes and resuspended with prechilled 80%
methanol by well vortex. Then the samples were incubated on ice for 5 min and
centrifuged at 15,000 g, 4°C for 20 min. Some of supernatant was diluted to final
concentration containing 53% methanol by LC-MS grade water.The samples were
subsequently transferred to a fresh Eppendorf tube and then were centrifuged at
15000 g, 4°C for 20 min. Finally, the supernatant was injected into the LC-MS/MS
system analysis
"],"organism":["Homo sapiens"],"full_dataset_link":["https://www.ebi.ac.uk/metabolights/MTBLS14421"],"author":["Qi Zhang. Tianjin Medical University Affiliated Nankai Hospital. zhangqi@tmu.edu.cn.","Jing Xun. Tianjin Medical University Affiliated Nankai Hospital. zhiyi_zhang1@163.com."],"data_transformation_protocol":["The raw data files generated by UHPLC-MS/MS were processed using the Compound
Discoverer 3.3 (CD3.3, ThermoFisher) to perform peak alignment, peak picking, and
quantitation for each metabolite. The main parameterswere set as follows:peak area
was corrected with the first QC, actual mass tolerance, 5ppm; signal intensity
tolerance, 30%; and minimum intensity, et al. After that, peak intensities were
normalized to the total spectral intensity.The normalized data was used to predict the
molecular formula based on additive ions, molecular ion peaks and fragment ions.
And then peaks were matched with the mzCloud (https://www.mzcloud.org/),
mzVault and MassList database to obtain the accurate qualitative and relative
quantitative results.Statistical analyses were performed using the statistical software R
(R version R-3.4.3), Python (Python 2.7.6 version) and CentOS (CentOS release 6.6),
When data were not normally distributed, standardize according to the formula:
sample raw quantitation value / (The sum of sample metabolite quantitation value /
The sum of QC1 sample metabolite quantitation value ) to obtain relative peak areas; And compounds whose CVs of relative peak areas in QC samples were greater than
30% were removed, and finally the metabolites' identification and relative
quantification results were obtained.
"],"study_factor":["Treatment"],"submitter_email":["zhiyi_zhang1@163.com"],"sample_collection_protocol":["The serum of patients and healthy volunteers were sampled at Tianjin Nankai Hospital and sent to an external company for untargeted metabolomics analysis.
"],"omics_type":["Metabolomics"],"study_design":["Thermo Scientific Vanquish UHPLC System","Metabolomics","D-glutamine and D-glutamate metabolic pathway","Esophagitis, Peptic","untargeted analysis","Gastrointestinal Microbiome","Homo sapiens","experimental blank","glutamine","Thermo Scientific Q Exactive HF","serum","Neuroimmunomodulation"],"curator_keywords":["Thermo Scientific Vanquish UHPLC System","Metabolomics","D-glutamine and D-glutamate metabolic pathway","Esophagitis, Peptic","untargeted analysis","Gastrointestinal Microbiome","Homo sapiens","experimental blank","glutamine","Thermo Scientific Q Exactive HF","serum","Neuroimmunomodulation"],"mass_spectrometry_protocol":["Q ExactiveTM HF mass spectrometer was operated in positive/negative
polarity mode with spray voltage of 3.5 kV, capillary temperature of 320°C, sheath
gas flow rate of 35 psi and aux gas flow rate of 10 L/min, S-lens RF level of 60, Aux
gas heater temperature of 350°C.
"],"metabolite_name":["CAR 5:0","2-morpholino-1-phenyl-1-ethanol","Corticosterone","Prostaglandin G2","4-heptyl-3-methyl-1H-pyrazol-5-ol","Phenylacetylglutamine","PC 16:1_17:2","Monolaurin","13(S)-HOTrE","WLH","8-Aminooctanoic acid","DG 18:2_18:2","Methyl nicotinate","Kinetin","1-(3,4-dimethoxyphenyl)ethan-1-one oxime","PC O-32:2","XLR11 N-(4-hydroxypentyl) metabolite-d5","L-Histidine","Isobutyryl carnitine","PC 19:2_20:5","LPC 16:0-SN1","Cholest-4-en-3-one","Normorphine","2-Arachidonoyl glycerol","SM 8:1;2O/28:7","1-[(3,5-dimethylisoxazol-4-yl)sulfonyl]piperidine","D-Sphingosine","2,3-Dinor-TXB2","4-methylphenyl 1-ethyl-3-methyl-1H-pyrazole-5-carbothioate","3-[(4-chlorophenyl)thio]-1-phenylprop-2-en-1-one","3-(4-methoxyphenyl)-1-methyl-1H-1,2,4-triazol-5-ol","N-[1-(4-methoxy-2-oxo-2H-pyran-6-yl)-2-methylbutyl]acetamide","Laudanosine","Methyl indole-3-acetate","ethyl 2-amino-2-phenylacetate hydrochloride","Sildenafil N-oxide","3-(5,7-dimethoxy-4-oxo-4H-chromen-2-yl)propanoic acid","4-bromo-3-[({[(methylamino)carbonyl]oxy}imino)methyl]-1H-pyrazole","Hexanoylcarnitine","N1-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-2,2-dimethylpropanamide","L-lysine","8,8-dimethyl-2H,8H-pyrano[3,2-g]chromen-2-one","Prostaglandin E1","PC 15:0_16:2","PC 15:0_16:0","WNK","Pyridoxamine 5-phosphate","3-(propan-2-yl)-octahydropyrrolo[1,2-a]pyrazine-1,4-dione","2-hydroxy-6-[(8Z,11Z)-pentadeca-8,11,14-trien-1-yl]benzoic acid","Boldione","5'-Adenylic acid","2-oxa-4-azatetracyclo[6.3.1.1~6,10~.0~1,5~]tridecan-3-one","Methyltestosterone","6-Methylquinoline","FMK","Tetrahydrocorticosterone","Oxohongdenafil","D-(+)-Maltose","1-(4-hydroxyphenyl)propane-1,2-diol","Omeprazole sulphone","N-(4-piperidinophenyl)benzamide","FNH","Vindoline","PC 16:4_18:5","3-hydroxy-2-octylpentanedioic acid","5-fluoro AB-PINACA N-(4-hydroxypentyl) metabolite","Irganox 259","L-Ornithine","D-Glucosamine 6-phosphate","PC 30:7_30:8","4-amino-1-(2-furylmethyl)-6-hydroxy-1,2-dihydropyrimidine-2-thione","5,6-dimethyl-4-oxo-4H-pyran-2-carboxylic acid","5-Fluoro-2-[(3S)-1-(2-fluorobenzyl)-3-pyrrolidinyl]-1H-benzimidazole","PE O-17:1_20:4","N-Formylkynurenine","PC 8:0_9:0","Neosaxitoxin","S-Lactoyglutathione","Ethyl chrysanthemumate","CAR 18:2","CAR 18:1","Oxaceprol","Melicopidine","CAR 18:0","methyl 4-oxo-4H-benzo[4,5]imidazo[2,1-b][1,3]thiazine-2-carboxylate","CAR 18:4","4-oxododecanedioic acid","3-(3,4,5-trimethoxyphenyl)propanoic acid","PE 18:2_18:2","Mupirocin","16,16-Dimethyl prostaglandin A2","SM 8:1;2O/40:10","(12Z)-9,10,11-trihydroxyoctadec-12-enoic acid","5-Henicosyl-1,3-benzenediol","2-Phenylglycine","Wampetin","4-(pentyloxy)benzene-1-carbohydrazide","Sulfaquinoxaline","16,16-Dimethyl prostaglandin A1","FPH","4,4'-dimethoxy[1,1'-biphenyl]-2-carbonitrile","FPK","DLK","Indole","N-(5-Aminopentyl)acetamide","PC 17:1_18:2","Prostaglandin A2","2-(methylthio)-5-[(5-nitro-1,3-thiazol-2-yl)thio]-1,3,4-thiadiazole","Benzamide","LPC 24:0-SN1","Prostaglandin A3","DL-Arginine","4-(2,3-dihydro-1,4-benzodioxin-6-yl)butanoic acid","DL-3,4-Dihydroxyphenyl glycol","L-Carnitine","Zeatin-7-N-glucoside","4,6,8-trihydroxy-7-methoxy-3-methyl-3,4-dihydro-1H-2-benzopyran-1-one","Vardenafil N-oxide","SM 8:1;2O/28:2","o-Cresol","SM 8:1;2O/28:1","13-OxoODE","SM 8:1;2O/28:0","beta-Nicotinamide mononucleotide","Adenosine","PC 40:6","PC O-38:10","Prostaglandin B2","2-Hydroxycinnamic acid","23-Norcholic acid","Noroxycodone-d3","SM 14:3;2O/9:0","2-(14,15-Epoxyeicosatrienoyl) glycerol","D-Erythrose 4-phosphate","2-[5-(2-hydroxypropyl)oxolan-2-yl]propanoic acid","FRH","SM 8:1;2O/17:2","Citral","CAR 7:0","4-Hydroxyretinoic Acid","L-Phenylalanine","5,6-diphenyl-2,3-dihydropyrazine","Ala-Leu","Traumatic acid","PC O-36:5","LPE 20:2","PC O-36:4","PC O-36:7","N'3-(3,4,5-trimethoxybenzylidene)pyridine-3-carbohydrazide","PC O-36:6","tert-Butyl N-[1-(aminocarbonyl)-3-methylbutyl]carbamate","PC O-36:8","PC(16:0/16:0)","Minocycline","PC 16:0_17:0","PC 16:0_17:2","PC 16:0_17:1","PC O-36:3","PC O-36:2","gamma-Glutamylleucine","S-Sulfo-L-cysteine","Tetrahydrocortisone","CAR 16:1","Threonine","Epitestosterone glucuronide","Sorbic acid","LPC 36:2-SN1","L-Cystathionine","12,13-EODE","11-dehydro Thromboxane B2","DL-Tryptophan","LPC 22:5-SN1","Cyclopentyl fentanyl-d5","Guanine","PC O-14:0","Taurolithocholic acid","Citicoline","L-serine","6-(3-hydroxybutan-2-yl)-5-(hydroxymethyl)-4-methoxy-2H-pyran-2-one","PC 18:1_19:2","3-(4-hydroxy-3-methoxyphenyl)propanoic acid","DRH","CAR 9:1","D-(+)-Tryptophan","Oleoyl ethylamide","bicyclo[2.2.2]oct-2-en-1-yl 4-methylbenzene-1-sulfonate","2-[(3S)-1-Cyclobutyl-3-pyrrolidinyl]-1H-benzimidazole-5-carbonitrile","Prostaglandin K2","Galangin","N'2-cinnamoyl-3-(1H-pyrrol-1-yl)thiophene-2-carbohydrazide","Tauroursodeoxycholic acid","Pipecolic acid","Indole-3-acrylic acid","PC O-34:6","PC O-34:9","PC O-34:0","PC O-34:3","PC O-34:2","PC 16:0_19:2","PC O-34:5","11-Ketoetiocholanolone","PC O-36:10","Asp-Phe","2-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepin-4-one","(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-phenylethoxy)oxane-3,4,5-triol","PC 19:1_19:1","2-{[(4,5-dimethoxy-2-nitrophenethyl)imino]methyl}phenol","2-(2-oxo-2-{[2-(2-oxo-1-imidazolidinyl)ethyl]amino}ethoxy)acetic acid","Monobutyl phthalate","Cafestol","1,4-dihydroxy-1,4-dimethyl-7-(propan-2-ylidene)-decahydroazulen-6-one","5-hydroxy-2-phenyl-4H-chromen-4-one","LPC 22:6-SN2","LPC 22:6-SN1","(2R)-5-hydroxy-7-methoxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one","PC O-12:0","¦Â-Asarone","Cholecalciferol","4-(4-chlorophenoxy)-3,5-dimethyl-1H-pyrazole","N-benzoyl-N'-(2-chlorophenyl)thiourea","(3R)-4,4-Dimethyl-2-oxotetrahydro-3-furanyl beta-D-glucopyranoside","Oleoyl-L-alpha-lysophosphatidic acid","Diethyl maleate","(4-benzoylpiperidino)[4-(tert-butyl)phenyl]methanone","PC 18:1_17:2","4-Hydroxyisoleucine","Ethyl myristate","aminoimidazole carboxamide ribonucleotide","Sinomenine","Coenzyme Q2","4-(2,4-dichlorophenoxy)-3-methyl-4,5-dihydro-1H-pyrazol-5-one","3-Hydroxy-3-methylbutanoic acid","N1-pyrazin-2-yl-4-chlorobenzamide","PE O-16:1_22:4","PC 17:0_17:0","PC 17:0_17:1","Andrographolide","3-(5-phenyl-1,3-oxazol-2-yl)-4-(trifluoromethyl)pyridine","LSD-d3","Chlorogenic Acid Methyl Ester","Febuxostat","5,8-dihydroxy-10-methyl-5,8,9,10-tetrahydro-2H-oxecin-2-one","CAR 12:0","5-Hydroxyindole-3-acetic acid","1-benzyl-4-(4-nitrophenyl)piperazine","(+/-)11(12)-EET","CAR 12:3","SM 9:1;2O/26:1","Sildenafil-d3","SM 8:1;2O/31:0","3-Methoxyflavone","PC 20:2_20:2","PC 20:2_20:3","Cryptotanshinone","Artemisinin","SM 9:1;2O/26:5","2,3-dihydroxypropyl 12-methyltridecanoate","SM 9:1;2O/26:6","1-(3-ethyl-2,4-dihydroxy-6-methoxyphenyl)butan-1-one","SM 9:1;2O/26:7","L-Palmitoylcarnitine","PE O-20:2_20:5","Rhoifolin","LPC 20:2-SN1","PC O-18:0","PC O-18:1","PC O-18:2","PC O-18:3","Octanedioic acid","Octopamine","Homosildenafil","Orlistat","5-oxo-3-phenyl-5-(2-quinolinylamino)pentanoic acid","N-{6-[4-(tert-butyl)phenoxy]-3-pyridinyl}-N'-(2-thienyl)urea","gamma-Tocopherol","Glycitin","Cholesterol","Pyrogallol","Levothyroxine","Testosterone","O-Desmethylnaproxen","SM 34:2;2O","L-Kynurenine","ethyl 2-[(4-methyl-2-oxo-2H-chromen-8-yl)oxy]acetate","PC 18:4_18:4","Creatine","PE O-16:1_20:5","PC O-38:5","(¡À)13-HpODE","PE O-16:1_20:3","PC O-38:4","PC O-38:7","PC O-38:6","PC O-38:9","Nordiazepam","PC O-38:8","6-chloro-3-[(dimethylamino)methylidene]chroman-4-one","2-{[methyl(2,3,4,5,6-pentahydroxyhexyl)amino]methylidene}malononitrile","PC 19:2_18:5","(S)-Leucic acid","PC 19:2_18:3","PC 19:2_18:4","LPC 16:0","CAR 10:2","11-Deoxy prostaglandin F1¦Á","CAR 10:1","5-Hydroxyomeprazole","N-acetyl-L-ornithine","Paraxanthine","Gluconolactone","Isorhapontigenin","Lysopc 14:0","5,7-dihydroxy-6-methoxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one","3-(3,4-dimethylphenyl)-3,4-dihydro-1,2,3-benzotriazin-4-one","PC 20:2_22:6","SM 8:0;2O/12:0","PC 36:4","3-Hydroxypicolinic acid","SM 9:1;2O/28:4","PC 36:5","PC 36:3","5-amino-1-(4-chlorobenzyl)-1H-1,2,3-triazole-4-carboxamide","2-Methoxybenzaldehyde","Diacetoxyscirpenol","LPC O-13:1","PC O-16:0","PC O-16:1","LPC 20:3-SN1","4-Hydroxytamoxifen","KKK","SM 15:3;2O/18:5","Desmethyldoxepin","ethyl 4-methyl-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carboxylate","PC 9:0_9:0","LPC 22:4-SN1","LPC O-24:1","LPC O-24:2","SM 12:2;2O/3:0","L-(+)-Citrulline","LysoPC 20:2","N-(2,4-Dimethylphenyl)formamide","UR-144 N-(2-hydroxypentyl) metabolite","PC 36:10_38:10","Sodium cholate","Stearamide","Tyramine","2-chloro-6-(3,5-dimethyl-1H-pyrazol-1-yl)benzonitrile","(6E)-7-(2H-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)hept-6-en-1-one","Sphingosine (d18:1)","N-[methyl(oxo)phenyl-lambda~6~-sulfanylidene]-N'-phenylurea","Sedanolide","Gly-Val","PC 42:5_44:12","4-Pregnen-17alpha,20alpha-Diol-3-One","Asp-Phe methyl ester","PC O-40:5","PC O-40:6","SM 8:1;2O/35:0","PC O-40:9","PC O-40:7","LPE 17:0","PC O-40:8","3-(3-Methoxyphenyl)propionic acid","PC 21:1_44:12","Cyclohexylsulfamate","LPC 20:0-SN1","25-hydroxycholecalciferol","P-Hydroxybenzaldehyde","2-phenyl-2,4,6,7-tetrahydrothiino[4,3-c]pyrazol-3-ol","SM 8:1;2O/22:0","5-[(10Z)-14-(3,5-dihydroxyphenyl)tetradec-10-en-1-yl]benzene-1,3-diol","6beta-Naltrexol-d3","4-Hydroxy-3-methylbenzoic acid","LPC O-19:1","PC 18:0_18:0","Choline Glycerophosphate","SM 8:1;2O/22:4","LPC 26:4-SN1","Luteolin","2-Aminobenzenesulfonic acid","Cystamine","DL-¦Á-Tocopherol","12-Oxo phytodienoic acid","All-Trans-13,14-Dihydroretinol","15-Deoxy-¦¤12,14-prostaglandin A1","Diflorasone","SM 14:3;2O/7:0","Gemifloxacin","Decanoylcarnitine","Choline","PE 17:1_17:1","MGDG O-13:0_3:0","KPH","(5E)-7-methylidene-10-oxo-4-(propan-2-yl)undec-5-enoic acid","Acetylcysteine","PE O-18:1_20:4","4-(dimethylamino)-1,1-diphenylbut-3-en-2-one","PE O-18:1_20:5","PC 19:0_19:1","SM 8:1;2O/26:7","7-Methylxanthine","PC 18:2_19:2","3-Methoxycinnamic acid","Homo-Gamma-Linolenic Acid (C20:3)","Palmitoylcarnitine","3-Methylindole","Glycyl-L-leucine","3-[3-(beta-D-Glucopyranosyloxy)-2-methoxyphenyl]propanoic acid","Diosgenin","Lysopc 18:3","Lysopc 18:2","Lysopc 18:1","PC O-42:11","8-Hydroxymirtazapine","PC 32:1","Lipoic acid","9-benzyl-2,3,4,9-tetrahydro-1H-carbazol-4-one","LPC 26:3-SN1","albiflorin","Thromboxane B1","methyl 2-(2-acetyl-4,5-dimethoxyphenyl)acetate","L-Argininosuccinate","3-Oxo-7alpha,12alpha-hydroxy-5beta-cholanoic acid","Bitertanol","Dihydrothymine","SM 8:1;2O/24:2","LPC O-17:1","SM 8:1;2O/24:1","LPC O-17:0","5-Methoxyindole-3-Carbaldehyde","DL-Glutamine","PC 38:9_38:10","1-(3,4-dimethylphenyl)-3-piperidinopyrrolidine-2,5-dione","Phosphocholine","indoline-2-carboxylic acid","pentane-1,2,3,4,5-pentol","Lysopc 16:2 (2N Isomer)","5-(hydroxymethyl)-4-methoxy-2,5-dihydrofuran-2-one","acetoacetate","lithocholic acid 3-sulfate","4-(5-pentylpyrimidin-2-yl)benzonitrile","o-Veratraldehyde","Milbemycin A3 oxime","Estrone","SM 8:1;2O/13:1","SM 8:1;2O/13:0","LPC 20:1-SN1","13,14-Dihydro-15-keto Prostaglandin E2","O-Phospho-L-serine","alpha-Farnesene","1-morpholino-3-(4-nitrophenoxy)propan-2-ol","PC O-20:0","Riboflavin","2-Methoxyresorcinol","PC 18:1_20:5","Deoxyinosine","SM 9:1;2O/30:6","SM 9:1;2O/30:7","Gamma-Caprolactone","2-[(3S)-1-(1H-Indol-3-ylmethyl)-3-pyrrolidinyl]-1H-benzimidazole","mesaconic acid","2-mercapto-4,6-dimethylnicotinonitrile","Lenalidomide","3-amino-4-(propylamino)cyclobut-3-ene-1,2-dione","Phenylglyoxylic acid","All trans-Retinal","2-Anisic acid","Biotin","LDGCC 36:8","DL-¦Á-Aminocaprylic acid","5-Hydroxypiroxicam","D-Raffinose","Meconin","5-trans prostaglandin F2¦Â","¦Á-Aspartylphenylalanine","2-Methylbutyroylcarnitine","LPE 36:4","LPC 20:5-SN1","PC O-44:5","PC O-44:6","SM 8:1;2O/16:1","2-phenyl-4H-furo[2,3-h]chromen-4-one","N'2-acetylpyridine-2-carbohydrazide","PC 16:1_16:1","PC 16:1_16:2","THC","PC O-33:7","Paracetamol","Guanosine monophosphate","PC 14:0_14:0","(+/-)11(12)-DiHET","PC O-33:0","Estriol","2-[(3S)-1-Benzyl-3-pyrrolidinyl]-1,3-benzothiazole","PC O-33:4","Aflatoxin G1","N'-[4-(tert-butyl)phenyl]-N-cyclohexyl-N-methylurea","CAR 19:1","Corey Lactone Diol","Lysopc 20:4","PC 17:2_17:2","Lysopc 20:0","Glycitein","gamma-Nonanolactone","Amitriptyline-d3","3'-O-Methylcytidine","PC O-40:11","PC 32:4_34:9","PC O-40:10","3-[(3-chloro-4-hydroxy-5-methylanilino)methylidene]pentane-2,4-dione","LPC 18:1-SN1","PC O-22:4","4-methyl-5-phenoxy-6-piperidino-2-(trifluoromethyl)pyrimidine","GPH","Cinchophen","2,4-dihydroxyheptadec-16-en-1-yl acetate","Tyrosylalanine","13,14-dihydro-15-keto Prostaglandin A2","N2-tetrahydrofuran-2-ylmethyl-4-(4-fluorophenyl)-1,3-thiazol-2-amine","SM 9:1;2O/32:2","VNH","DL-Lysine","(1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one","4-Methoxycinnamic acid","SM 9:1;2O/32:7","methyl 2-(benzoylamino)acetate","1,7-bis(4-hydroxyphenyl)-5-methoxyheptan-3-one","4,6-dimethyl-2,7-diphenyl-3,7-dihydro-2H-pyrazolo[3,4-b]pyridin-3-one","Boc-beta-cyano-L-alanine","17¦Á-Hydroxyprogesterone","Biliverdin","2-(4,4-diphenyl-1-piperidinobuta-1,3-dienyl)phenyl acetate","LPC 20:4-SN1","SM 14:3;2O/8:0","Palmitoyl sphingomyelin","PC O-42:9","Sulfamethazine","1-Methylguanine","PC O-42:3","Spinosyn A","N-Acetyl-DL-tryptophan","PC O-42:5","PC O-42:6","D-Erythro-sphingosine 1-phosphate","LPC 20:3","Homotaurine","Arachidonoyl ethanolamide phosphate","Hydroxyprogesterone caproate","Proline","cGMP","U-44069","Acipimox","2-[(3S)-1-(3,4-Difluorobenzyl)-3-pyrrolidinyl]-1,3-benzoxazole","O-Phospho-L-Tyrosine","PC 14:0_16:3","6-Keto-prostaglandin f1alpha","2-(3-chloro-2-methylanilino)benzoic acid","(2E)-6-hydroxy-2-methyl-6-(4-methylphenyl)hept-2-enoic acid","Emetine","Fasciculic acid C","6,7,8-trimethoxy-2-[3-(trifluoromethyl)phenyl]-4H-3,1-benzoxazin-4-one","1,2-dihydroxyheptadec-16-yn-4-yl acetate","LPC 18:0-SN1","Indole-3-acetic acid","3-methyl-5-oxo-5-(4-toluidino)pentanoic acid","2-(2,6-dimethoxyphenyl)-5,6-dimethoxy-4H-chromen-4-one","PC O-31:0","D-¦Ä-Tocopherol","7-alpha-carboxy-17-alpha-carboxyethylandrostan lactone phenyl ester","L-Methionine Methyl Ester","(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(propan-2-yloxy)oxane-3,4,5-triol","PC O-20:2","PC 36:10_40:11","PC O-20:4","PC O-20:3","PC O-20:5","(-)-Caryophyllene oxide","Phe-Pro","LPC 19:0-SN1","3-hydroxy-3-methylpentanedioic acid","4-methoxy-6-(prop-2-en-1-yl)-2H-1,3-benzodioxole","Terephthalic Acid","methyl 4-methyl-2-oxo-2H-pyran-6-carboxylate","PC 17:1_17:2","gamma-Glutamyltyrosine","4-hydroxy-3-(3-methylbut-2-en-1-yl)benzoic acid","PC 17:1_17:1","N-(5-acetamidopentyl)acetamide","methyl 3,4,5-trihydroxycyclohex-1-ene-1-carboxylate","Spermidine","PC 18:2_20:5","PC 18:2_20:3","PC 18:0_20:5","Meperidine-d5","Valeryl fentanyl-d5","Propionylcarnitine","4-decyl-3-hydroxy-5-oxooxolane-2,3-dicarboxylic acid","ERH","p-Mentha-1,3,8-triene","N1-{4-[(2-hydroxybenzoyl)amino]phenyl}-2-nitrobenzamide","CAR 26:2","3-Acetyl-11-keto-¦Â-boswellic acid","Tramadol N-Oxide","Hydroxyproline","JNJ-1661010","CAR 26:1","CAR 26:0","3-Hydroxyfluorene","PC O-37:6","PC O-37:5","Piperine","PC O-37:7","Dehydroepiandrosterone (DHEA)","PC 16:0_16:1","5¦Á-Dihydrotestosterone glucuronide","PC O-37:2","PC 21:1_22:6","Acetyl-L-carnitine","Pyridoxine","TQH","CAR 15:0","LPC O-22:2","SM 38:6;3O","Glycolithocholic acid","Valine","2-Phenylacetamide","LPC O-22:4","SM 32:1;2O","tetranor-12(R)-HETE","Stiripentol","LysoPE 18:2","LPC 32:9-SN2","Theobromine","Cortisol","Bilirubin","RNK","XLR11 N-(2-fluoropentyl) isomer","6-(trifluoromethoxy)quinolin-4-ol","PC 15:0_15:1","PC 15:0_15:0","Betaine","PC 18:3_18:3","PC 18:3_18:4","7-hydroxy-5-methoxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one","Jasmonic acid","AL 8810 Methyl ester","Hesperetin","Pelargonidin","L-Leucyl-L-Alanine","Cytidine","Enrofloxacin","N-Desmethylvenlafaxine","PC O-46:7","PC 18:1_18:1","Isoquinoline","octadec-9-ynoic acid","ANH","Morphine-3-glucuronide","3-(2-morpholinophenyl)-2-(phenylsulfonyl)acrylonitrile","NAT13-331713_POS","Methylbenzethonium chloride","7-methyl-3-nitroimidazo[1,2-a]pyridine","1-Methylhistidine","CAR 24:1","CAR 24:0","PC 16:0_18:5","PC O-35:5","PC O-35:7","DL-5-Methoxytryptophan","Deoxycorticosterone 21-glucoside","PC O-35:4","PC O-35:3","2-Thio-acetyl MAGE","4-acetyl-4-(ethoxycarbonyl)heptanedioic acid","7-Ketolithocholic acid","1-[(1-benzylpiperidin-4-yl)amino]-3-[(4-fluorophenyl)thio]propan-2-ol","1-Palmitoylglycerol","CAR 13:0","LPC O-20:4","LPC O-20:1","LPC O-20:2","PC 22:6_22:6","Testosterone glucuronide","PC 20:3_20:4","AL 8810","PC 20:3_20:3","17beta-Trenbolone","dUMP","N-(6-methoxypyridin-3-yl)thiophene-2-carboxamide","Progesterone","APK","(5S)-5-hydroxy-1,7-diphenylheptan-3-one","Prolylleucine","Allantoin","PNH","DL-Dipalmitoylphosphatidylcholine","MAG (18:2)","5-(6-hydroxy-6-methyloctyl)-2,5-dihydrofuran-2-one","PC 16:3_16:4","ethyl 5-methoxy-2-methyl-1-phenyl-1H-indole-3-carboxylate","LPC O-14:0","PC O-17:0","Methylmalonate","PC 18:3_20:5","Muscone","Methionine","N1-(4-cyclohexylphenyl)-2-[(4-methylphenyl)thio]acetamide","Deisopropylatrazine","NKK","Guggulsterone","Estazolam","1H-indol-3-yl(pyridin-2-yl)methanol","Dl-2-Amino-3-phosphonopropionic acid","C-8 Ceramide-1-phosphate","CAR 22:7","CAR 22:6","PC 28:6_30:8","2,6-Di-tert-butyl-1,4-benzoquinone","CAR 22:0","LPC 17:1-SN1","CAR 22:5","CAR 22:4","3-Methoxytyramine","LPE 40:6","PC 17:0_18:5","SM 42:1;2O","1-Stearoylglycerol","6-Deoxy-D-glucose","PC 17:0_18:0","4-Butylresorcinol","PC 17:0_18:4","Papaverine","PC 17:0_18:1","PC 17:0_18:2","Glu-Gln","PC 19:0_20:5","PC 19:0_20:4","Phenylacetylglycine","4-chlorophenyl 5-methyl-2-phenyl-2H-1,2,3-triazole-4-carboxylate","N-Stearoyl taurine","CAR 11:0","SM 8:1;2O/30:3","SM 8:1;2O/30:2","Leucylproline","LPC 15:0-SN1","3-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-5-oxo-6-phenylhexanamide","SM 8:1;2O/30:6","6-(4-methoxybenzyl)-3-methyl-5,6,7,8-tetrahydroquinoline","Glu-Glu","6¦Â-Oxycodol N-oxide","8-Hydroxyquinoline","5-hydroxy-4-methoxy-5,6-dihydro-2H-pyran-2-one","PC 17:2_22:6","N-Acetylserotonin","Dehydrocholic acid","D-(-)-Glutamine","LPC 19:1-SN1","PC 16:3_18:5","PAF C-16","¦¤17-6-keto prostaglandin F1¦Á","LPC 18:4-SN1","PC O-15:0","N2-phenyl-4-(piperidinomethyl)-1,3-thiazol-2-amine","2-[(butylamino)(imino)methyl]-1-oxohydrazinium-1-olate","DL-Carnitine","1-[2-(2,5-dimethyl-1H-pyrrol-1-yl)-4-nitrophenyl]-1H-imidazole","Homoarginine","L-aspartic Acid","Coumarin","Nicotinate ribonucleoside","Spermine","1,2-Dipalmitoylphosphatidylglycerol","LPC 17:0-SN1","Hypoxanthine","1-(2-furyl)pentane-1,4-dione","Palmitoyl ethanolamide","2-Phenylpropionic acid","Heptadecanoic Acid","N-(cyclopropylmethyl)-N'-phenylurea","CAR 20:3","CAR 20:2","CAR 20:1","CAR 20:0","CAR 20:5","CAR 20:4","15-Deoxy-¦¤12,14-prostaglandin J2-2-glycerol ester","PC O-39:4","PC O-39:5","PC O-39:7","LDGCC 20:2","Methyl palmitate","4-(3-methoxyphenyl)-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile","5-Hydroxyindole","5-Methyluridine","Palmitoleic Acid","LMH","LPC 17:0","(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid","Chlorogenic acid","Nicotinuric acid","Cortisone","Gly-Phe","4'-methyl Acetyl fentanyl-d5","3-Nitro-L-Tyrosine","Genistein 4'-O-glucuronide","D-Proline","SM 8:1;2O/32:0","N1-(1H-indol-4-yl)cyclohexane-1-carboxamide","SM 8:1;2O/32:5","Inosine","SM 8:1;2O/32:3","SM 8:1;2O/32:8","D-Phenylalanine","SM 8:1;2O/32:7","LPC 15:1-SN1","LPC 18:3-SN1","Glycerophospho-N-palmitoyl ethanolamine","Ouabain","Tetranor-12(S)-HETE","Panthenol","SM 8:1;2O/38:10","5-[4-(tert-butyl)phenyl]-1,3,4-oxadiazole-2-thiol","PC 19:1_20:5","isoleucine","3,5,7-trihydroxy-2-phenyl-4H-chromen-4-one","1,7-bis(4-hydroxyphenyl)heptan-3-one","N-Acetylmethionine","SM 9:1;2O/34:4","Ellagic acid","SM 9:1;2O/34:7","LPC O-18:3","LPC O-18:0","LPC O-18:1","N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-thiophenecarboxamide","N-cyclohexyl-1-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide","Caffeine","2-(cyclopropylcarbonyl)-3-(4-fluoroanilino)acrylonitrile","1,7-bis(3,4-dihydroxyphenyl)heptan-3-one","7-Aminoclonazepam","SM 9:1;2O/34:8","PC 20:4_22:6","6-Ketoprostaglandin F1¦Á","Sebacic acid","6-phenyl-1,2,3,4-tetrahydro-2,5-benzodiazocin-1-one","PC 17:1_20:4","LPC 16:2-SN1","1-(4-nitrophenyl)piperidine","SM 8:1;2O/12:0","11(Z),14(Z),17(Z)-Eicosatrienoic acid","13-HPODE","SM 8:1;2O/34:9","N-(2,5-diethoxy-4-morpholinophenyl)thiophene-2-carboxamide","N-(4-butyl-2-methylphenyl)-N'-[4-(4-methylpiperazino)phenyl]urea","Picolinic acid","Oleoyl ethanolamide","LDGCC 22:6","LDGCC 22:5","LDGCC 22:4","ethyl 4-[2-(3,4,5-trimethoxybenzylidene)hydrazino]benzoate","Pyridoxamine","L-Pyroglutamic acid","9-Oxo-ODE","Biochanin A","PC 19:2_19:2","2-[4-(tert-butyl)-2-chlorophenoxy]-3-nitropyridine","6-Aminonicotinamide","SM 8:1;2O/34:0","Quinic acid","LPE 18:0","PC O-41:4","SM 8:1;2O/34:5","PC O-41:5","Acetylcholine","SM 8:1;2O/34:7","5-OxoETE","SM 8:1;2O/34:1","Choline bitartrate","PC O-41:6","PC O-41:7","SM 8:1;2O/34:4","LPC 18:2-SN1","Thymidine","2-(benzylamino)-1,3-thiazole-5-carboxylic acid","Pantetheine","4-[(1-acetyl-1H-indol-3-yl)methylene]-2-phenyl-1,3-oxazol-5(4H)-one","Oleandomycin","PC O-19:4","Lysopa 18:0","8-(1,2-dihydroxy-3-methylbut-3-en-1-yl)-7-methoxy-2H-chromen-2-one","Tryptophanol","LPC O-16:0","Cotinine","LPC O-16:1","Proscillaridin A","LPC 16:1-SN1","N-Arachidonoyl-L-serine","PC 20:4_20:4","SM 9:1;2O/36:8","DL-Stachydrine","PC 26:7_30:8","T-2 Triol","Dextromethorphan hydrobromide","Dihydrokawain","2-(2-amino-3-methylbutanamido)-3-phenylpropanoic acid","Nonadecanoic acid","Ethyl oleate","cis-gondoic acid","(5-L-Glutamyl)-L-Amino Acid","Phe-Phe","N-Desmethyl sildenafil","Methionine sulfoxide","18-¦Â-Glycyrrhetinic acid","Azelaic acid","LPC 17:2-SN1","5-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1H-indole-3-carbonitrile","LPC 11:0-SN1","1-(4-benzylpiperazino)-2-(pyridin-2-ylamino)propan-1-one","(1R,2R)-trans-N-Boc-1,2-cyclohexanediamine","N-Acetyl-L-leucine","D-Tagatose","PC 18:2_18:3","PC 18:2_18:2","2,5-Furandicarboxylic acid","PE O-18:2_18:2","SM 8:1;2O/36:4","SM 8:1;2O/36:5","2-(1,3-benzodioxol-5-yl)-6-chloro-4-phenylquinoline","SM 8:1;2O/36:6","LPE 16:1"],"additional_accession":[]},"is_claimable":false,"name":"Multi-omics analysis identifies gut microbiota-glutamine axis contributing to the pathogenesis of reflux esophagitis","description":"Background: Reflux esophagitis (RE), a common gastroesophageal reflux disease characterized by esophageal mucosal inflammation, is closely associated with gut microbiota dysbiosis and metabolic abnormalities. The glutamine-glutamate metabolic pathway regulates inflammation and mucosal barrier function, but its role in RE and association with gut microbiota remain unclear. This study aimed to characterize gut microbiota and serum metabolites in RE patients via integrated multi-omics (focusing on the gut microbiota-glutamine axis), and verify the activation status of this pathway in RE inflammatory models and the anti-inflammatory effect of its targeted inhibition.
Methods: RE patients and healthy controls (HCs) were enrolled. Fecal metagenomic sequencing and serum untargeted metabolomics (LC-MS/MS) were performed to identify differential gut microbiota and serum metabolites between the two groups, followed by Pearson correlation analysis to explore their associations. In vitro experiments were conducted on human esophageal epithelial cells (HEECs) divided into four groups: normal, inflammatory, glutamine-supplemented, and inflammatory + glutamine + glutaminase inhibitor (BPTES) groups. qPCR was used to detect the mRNA expression of glutamine-glutamate pathway molecules (GLS, c-Myc, SLC1A5), mucosal barrier markers (ZO-1, Occludin), and pro-inflammatory cytokines (IL-8, IL-6, IL-1β, TNF-α). Intracellular concentrations of glutamine, glutamate, and α-ketoglutarate were measured, and the anti-inflammatory effect of BPTES was verified.
Results: RE patients showed significant differences in gut microbiota diversity and composition compared with HCs, with Bacteroidota, Pseudomonadota, Escherichia coli, and Klebsiella pneumoniae as dominant taxa. Serum metabolomics revealed elevated glutamine and glutamate in RE patients, which were identified as key differential metabolites related to RE pathogenesis. Pearson analysis revealed that alterations in serum metabolite profiles of RE patients were significantly correlated with changes in gut bacterial abundance. Notably, glutamate-glutamate (Glu-Glu) metabolism exhibited negative correlations with multiple bacterial genera (Acrocarpospora, Limnobacter, Pseudobacter, Shewanella, and Tropicimonas). In vitro, inflammatory HEECs exhibited increased intracellular glutamine, glutamate, and α-ketoglutarate, upregulated glutamine-glutamate pathway molecules and pro-inflammatory cytokines, and downregulated mucosal barrier markers. Exogenous glutamine alone failed to alleviate inflammation, while combined with BPTES significantly reversed pathway activation and mitigated inflammation in inflammatory HEECs.
Conclusion: RE patients exhibit significant gut microbiota dysbiosis (dominated by Bacteroidota, Pseudomonadota, Escherichia coli, and Klebsiella pneumoniae) and abnormal glutamine metabolism (elevated serum glutamine and glutamate). Pearson analysis reveals that the glutamine-glutamate pathway correlates negatively with multiple bacterial genera (Acrocarpospora, Limnobacter, Pseudobacter, Shewanella, and Tropicimonas). The glutamine-glutamate pathway is activated in inflammatory esophageal epithelial cells, and targeted GLS inhibition by BPTES reverses pathway activation and mitigates inflammation. These findings highlight the gut microbiota-glutamine axis as potential diagnostic biomarkers and therapeutic targets for RE, providing new insights into pathogenesis and a basis for novel clinical interventions.
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