Research Article

Deciphering the Metabolomics-Based Intervention of Yanghe Decoction on Hashimoto’s Thyroiditis

Table 3

Enrichment analysis results based on mass spectrometry combined with HPLC.

PathwayTotalHitsRaw p−ln (p)Holm adjustFDRImpactHits cpdTotal cpd

Histidinemetabolism1520.0115264.46320.950.945120.24194L-Histidine cpd:C00135; carnosine cpd: C00386L-glutamic acid cpd: C00025; 4-imidazolone-5-propionic acid cpd: C03680; urocanic acid cpd: C00785; L-histidine cpd: C00135; imidazole-4-acetaldehyde cpd: C05130; 1-methylhistamine cpd: C05127; methylimidazole acetaldehyde cpd: C05827; histamine cpd: C00388; carnosine cpd: C00386; N-formyl-L-aspartate cpd: C01044; formiminoglutamic acid cpd: C00439; imidazoleacetic acid cpd: C02835; methylimidazoleacetic acid cpd: C05828; L-aspartic acid cpd: C00049; 1-methylhistidine cpd: C01152
Aminoacyl-tRNA biosynthesis6930.0392323.2383110L-histidine cpd: C00135; L-phenylalanine cpd: C00079; L-methionine cpd: C00073L-asparagine cpd: C00152; tRNA(Asn) cpd: C01637; L-histidine cpd: C00135; tRNA(His) cpd: C01643; L-phenylalanine cpd: C00079; tRNA(Phe) cpd: C01648; L-arginine cpd: C00062; tRNA(Arg) cpd: C01636; L-glutamine cpd: C00064; tRNA(Gln) cpd: C01640; L-cysteine cpd: C00097; tRNA(Cys) cpd: C01639; glycine cpd: C00037; tRNA(Gly) cpd: C01642; tRNA(Asp) cpd: C01638; L-aspartic acid cpd: C00049; L-serine cpd: C00065; tRNA(Ser) cpd: C01650; L-methionine cpd: C00073; tRNA(Met) cpd: C01647; L-valine cpd: C00183; tRNA(Val) cpd: C01653; L-alanine cpd: C00041; tRNA(Ala) cpd: C01635; L-lysine cpd: C00047; tRNA(Lys) cpd: C01646; L-isoleucine cpd: C00407; tRNA(Ile) cpd: C01644; tRNA(Leu) cpd: C01645; L-leucine cpd: C00123; L-threonine cpd: C00188; tRNA(Thr) cpd: C01651; tRNA(Trp) cpd: C01652; L-tryptophan cpd: C00078; N10-formyl-thf cpd: C00234; L-methionyl-tRNA cpd: C02430; L-tyrosine cpd: C00082; tRNA(Tyr) cpd: C00787; L-proline cpd: C00148; tRNA(Pro) cpd: C01649; L-glutamic acid cpd: C00025; tRNA(Glu) cpd: C01641; glutaminyl-tRNA cpd: C02282; L-asparaginyl-tRNA(Asn) cpd: C03402; tRNA(Sec) cpd: C16636; L-seryl-tRNA(Sec) cpd: C06481; O-phosphoseryl-tRNA(Sec) cpd: C16638; L-histidyl-tRNA(His) cpd: C02988; L-phenylalanyl-tRNA(Phe) cpd: C03511; L-arginyl-tRNA(Arg) cpd: C02163; L-cysteinyl-tRNA(Cys) cpd: C03125; glycyl-tRNA(Gly) cpd: C02412; L-aspartyl-tRNA(Asp) cpd: C02984; L-seryl-tRNA(Ser) cpd: C02553; L-valyl-tRNA(Val) cpd: C02554; L-alanyl-tRNA cpd: C00886; L-lysyl-tRNA cpd: C01931; L-isoleucyl-tRNA(Ile) cpd: C03127; L-leucyl-tRNA cpd: C02047; L-threonyl-tRNA(Thr) cpd: C02992; L-tryptophanyl-tRNA(Trp) cpd: C03512; tetrahydrofolic acid cpd: C00101; N-formylmethionyl-tRNA cpd: C03294; L-tyrosyl-tRNA(Tyr) cpd: C02839; L-prolyl-tRNA(Pro) cpd: C02702; L-glutamyl-tRNA(Glu) cpd: C02987; L-glutamyl-tRNA(Gln) cpd: C06112; L-aspartyl-tRNA(Asn) cpd: C06113; L-selenocysteinyl-tRNA(Sec) cpd: C06482
Phenylalanine, tyrosine, and tryptophan biosynthesis410.0444533.1133110.5L-phenylalanine cpd: C00079Phenylpyruvic acid cpd: C00166; L-phenylalanine cpd: C00079; L-tyrosine cpd: C00082; 4-hydroxyphenylpyruvic acid cpd: C01179
D-glutamine and D-glutamate metabolism510.0552732.8955110D-glutamine cpd: C00819L-glutamic acid cpd: C00025; D-glutamine cpd: C00819; L-glutamine cpd: C00064; oxoglutaric acid cpd: C00026; D-glutamic acid cpd: C00217
Tryptophan metabolism4020.0726662.6219110.10987L-kynurenine cpd: C00328; acetyl-N-formyl-5-methoxykynurenamine cpd: C05642L-tryptophan cpd: C00078; melatonin cpd: C01598; serotonin cpd: C00780; 5-hydroxykynurenamine cpd: C05638; 5-hydroxykynurenine cpd: C05651; 5-hydroxy-L-tryptophan cpd: C00643; L-formylkynurenine cpd: C02700; acetoacetyl-CoA cpd: C00332; (S)-3-hydroxybutanoyl-CoA cpd: C01144; crotonoyl-CoA cpd: C00877; glutaryl-CoA cpd: C00527; oxoadipic acid cpd: C00322; 2-amino-3-carboxymuconic acid semialdehyde cpd: C04409; 3-hydroxyanthranilic acid cpd: C00632; L-kynurenine cpd: C00328; formylanthranilic acid cpd: C05653; L-3-hydroxykynurenine cpd: C03227; 3-hydroxykynurenamine cpd: C05636; indoleacetaldehyde cpd: C00637; 5-hydroxy-N-formylkynurenine cpd: C05648; 5-hydroxyindoleacetaldehyde cpd: C05634; tryptamine cpd: C00398; indoleacrylic acid cpd: C00331; acetyl-N-formyl-5-methoxykynurenamine cpd: C05642; 6-hydroxymelatonin cpd: C05643; N-acetylserotonin cpd: C00978; formyl-5-hydroxykynurenamine cpd: C05647; 4,6-dihydroxyquinoline cpd: C05639; acetyl-CoA cpd: C00024; 2-aminomuconic acid semialdehyde cpd: C03824; 2-aminobenzoic acid cpd: C00108; L-tryptophanyl-tRNA(Trp) cpd: C03512; cinnavalininate cpd: C05640; 4-(2-amino-3-hydroxyphenyl)-2,4-dioxobutanoic acid cpd: C05645; 4-(2-aminophenyl)-2,4-dioxobutanoic acid cpd: C01252; 4,8-dihydroxyquinoline cpd: C05637; indoleacetic acid cpd: C00954; 5-hydroxyindoleacetic acid cpd: C05635; N-methylserotonin cpd: C06212; N-methyltryptamine cpd: C06213
Nitrogen metabolism910.0974152.3288110L-histidine cpd: C00135Ammonia cpd: C00014; carbon dioxide cpd: C00011; L-glutamic acid cpd: C00025; L-Glutamine cpd: C00064; L-cystathionine cpd: C02291; L-Histidine cpd: C00135; carbamoylphosphate cpd: C00169; carbonic acid cpd: C01353; glycine cpd: C00037
Phenylalanine metabolism1110.117822.1386110.40741L-phenylalanine cpd: C00079Phenylacetaldehyde cpd: C00601; phenylacetyl-CoA cpd: C00582; L-phenylalanine cpd: C00079; phenylethylamine cpd: C05332; phenylpyruvic acid cpd: C00166; phenylacetic acid cpd: C07086; phenylacetylglycine cpd: C05598; ortho-hydroxyphenylacetic acid cpd: C05852; enol-phenylpyruvate cpd: C02763; 2-phenylacetamide cpd: C02505; L-tyrosine cpd: C00082
Sphingolipid metabolism2110.213511.5441110Phytosphingosine cpd: C12144Sphinganine cpd: C00836; ceramide 1-phosphate cpd: C02960; sphingosine 1-phosphate cpd: C06124; sphinganine 1-phosphate cpd: C01120; dihydroceramide cpd: C12126; phytoceramide cpd: C12145; SM cpd: C00550; ceramide cpd: C00195; Palmityl-CoA cpd: C00154; L-Serine cpd: C00065; 3-dehydrosphinganine cpd: C02934; galabiosylceramide cpd: C06126; galactosylceramide cpd: C02686; GM4 cpd: C06128; lactosylceramide cpd: C01290; glucosylceramide cpd: C01190; sphingosine cpd: C00319; 3-O-Sulfogalactosylceramide (d18 :  : 1/24 :  : 0) cpd: C06125; phytosphingosine cpd: C12144; digalactosylceramidesulfate cpd: C06127; O-phosphoethanolamine cpd: C00346
Cysteine and methionine metabolism2710.266161.3236110.08685L-methionine cpd: C000732-Oxo-4-methylthiobutanoic acid cpd: C01180; 1,2-dihydroxy-3-keto-5-methylthiopentene cpd: C15606; 5′-methylthioadenosine cpd: C00170; S-adenosylmethioninamine cpd: C01137; S-adenosylmethionine cpd: C00019; L-cystathionine cpd: C02291; L-homocysteine cpd: C00155; L-serine cpd: C00065; L-methionine cpd: C00073; S-adenosylhomocysteine cpd: C00021; 2,3-diketo-5-methylthiopentyl-1-phosphate cpd: C15650; cysteic acid cpd: C00506; L-cystine cpd: C00491; L-cysteine cpd: C00097; 3-sulfinoalanine cpd: C00606; sulfite cpd: C00094; 3-mercaptopyruvic acid cpd: C00957; 3-methylthiopropionic acid cpd: C08276; 5-methylthioribose 1-phosphate cpd: C04188; 2-ketobutyric acid cpd: C00109; 2-aminoacrylic acid cpd: C02218; 3-sulfopyruvic acid cpd: C05528; thiocysteine cpd: C01962; 3-sulfinylpyruvic acid cpd: C05527; pyruvic acid cpd: C00022; thiosulfate cpd: C00320; 3-mercaptolactic acid cpd: C05823
Glycerophospholipid metabolism3010.291231.2336110.02315Glycerophosphocholine cpd: C00670Phosphatidylethanolamine cpd: C00350; phosphatidylcholine cpd: C00157; dihydroxyacetone phosphate cpd: C00111; LysoPC (18 : 1(9Z)) cpd: C04230; 1,2-diacyl-sn-glycerol cpd: C00641; citicoline cpd: C00307; phosphorylcholine cpd: C00588; choline cpd: C00114; acetylcholine cpd: C01996; O-phosphoethanolamine cpd: C00346; ethanolamine cpd: C00189; PA (16 :  : 0/16 :  : 0) cpd: C00416; acyl-CoA cpd: C00040; 1-acyl-sn-glycerol 3-phosphate cpd: C00681; CDP-diacylglycerol cpd: C00269; glycerol 3-phosphate cpd: C00093; 1-acyl-sn-glycero-3-phosphoethanolamine cpd: C04438; 2-acyl-sn-glycero-3-phosphoethanolamine cpd: C05973; 2-acyl-sn-glycero-3-phosphocholine cpd: C04233; CDP-glycerol cpd: C00513; PS (16 : 0/16 : 0) cpd: C02737; phosphatidylglycerol cpd: C00344; dihydroxyacetone phosphate acyl ester cpd: C03372; CDP-ethanolamine cpd: C00570; 1-phosphatidyl-D-myo-inositol cpd: C01194; glycerylphosphorylethanolamine cpd: C01233; glycerophosphocholine cpd: C00670; phosphatidyl-N-methylethanolamine cpd: C01241; phosphatidylglycerophosphate cpd: C03892; cardiolipin cpd: C05980
Arginine and proline metabolism4410.397960.9214110N-acetylornithine cpd: C00437L-glutamine cpd: C00064; ammonia cpd: C00014; carbamoylphosphate cpd: C00169; ornithine cpd: C00077; citrulline cpd: C00327; L-aspartic acid cpd: C00049; argininosuccinic acid cpd: C03406; L-arginine cpd: C00062; L-glutamic acid cpd: C00025; N-acetylornithine cpd: C00437; L-proline cpd: C00148; peptide cpd: C00012; D-proline cpd: C00763; hydroxyproline cpd: C01157; pyrroline hydroxycarboxylic acid cpd: C04281; L-4-hydroxyglutamate semialdehyde cpd: C05938; L-erythro-4-hydroxyglutamate cpd: C05947; N-(o)-hydroxyarginine cpd: C05933; guanidinoacetic acid cpd: C00581; creatine cpd: C00300; gamma-aminobutyric acid cpd: C00334; agmatine cpd: C00179; L-glutamic-gamma-semialdehyde cpd: C01165; L-glutamic acid 5-phosphate cpd: C03287; (S)-1-pyrroline-5-carboxylate cpd: C03912; putrescine cpd: C00134; 4-aminobutyraldehyde cpd: C00555; S-adenosylmethioninamine cpd: C01137; S-adenosylmethionine cpd: C00019; spermidine cpd: C00315; N-acetylputrescine cpd: C02714; N4-acetylaminobutanal cpd: C05936; cis-4-hydroxy-D-proline cpd: C03440; fumaric acid cpd: C00122; urea cpd: C00086; N-acetyl-L-alanine cpd: C00624; 1-pyrroline-2-carboxylic acid cpd: C03564; D-4-hydroxy-2-oxoglutarate cpd: C05946; nitric oxide cpd: C00533; phosphocreatine cpd: C02305; 4-guanidinobutanoic acid cpd: C01035; spermine cpd: C00750; 4-acetamidobutanoic acid cpd: C02946; 1-pyrroline-4-hydroxy-2-carboxylate cpd: C04282
PathwayMetabolic pathway name
TotalThe number of metabolites in this pathway
HitsThe number of differential metabolites hit this pathway
Raw p value of metabolic pathway enrichment analysis
−ln(p)Minus log base E of P
Holm adjust values corrected by Holm–Bonferroni method for multiple hypothesis testing
FDR value corrected by false discovery rate (FDR) method for multiple hypothesis testing
ImpactImpact value of metabolic pathway topology analysis
Hits cpdThe names and KEGG IDs of differential metabolites hit the pathway
Total cpdAll metabolite names and KEGG IDs contained in this pathway