RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0161726
RefMet name	Methionine
Systematic name	(2S)-2-amino-4-(methylsulfanyl)butanoic acid
Synonyms	PubChem Synonyms
Exact mass	149.051051 (neutral)	Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C5H11NO2S	View other entries in RefMet with this formula
Molecular descriptors
Molfile	37371 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
InChIKey	FFEARJCKVFRZRR-BYPYZUCNSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CSCC[C@@H](C(=O)O)N Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Organic acids
Main Class	Amino acids and peptides
Sub Class	Amino acids
Distribution of Methionine in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting Methionine
External Links
Pubchem CID	6137
ChEBI ID	16643
KEGG ID	C00073
HMDB ID	HMDB0000696
Chemspider ID	5907
MetaCyc ID	MET
EPA CompTox	DTXCID50821
Spectral data for Methionine standards
BMRB ID(NMR)	View NMR spectra
NP-MRD ID(NMR)	View NMR spectra
MassBank(EU)	View MS spectra
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Methionine

Rxn ID	KEGG Reaction	Enzyme
R00177	Orthophosphate + Diphosphate + S-Adenosyl-L-methionine <=> ATP + L-Methionine + H2O	ATP:L-methionine S-adenosyltransferase
R00648	L-Methionine + H2O + Oxygen <=> 4-Methylthio-2-oxobutanoic acid + Ammonia + Hydrogen peroxide	L-Methionine:oxygen oxidoreductase (deaminating)
R00650	S-Adenosyl-L-methionine + L-Homocysteine <=> S-Adenosyl-L-homocysteine + L-Methionine	S-Adenosyl-L-methionine:L-homocysteine S-methyltransferase
R00946	5-Methyltetrahydrofolate + L-Homocysteine <=> Tetrahydrofolate + L-Methionine	5-Methyltetrahydrofolate:L-homocysteine S-methyltransferase
R02821	Betaine + L-Homocysteine <=> N,N-Dimethylglycine + L-Methionine	Trimethylaminoacetate:L-homosysteine S-methyltransferase
R03659	ATP + L-Methionine + tRNA(Met) <=> AMP + Diphosphate + L-Methionyl-tRNA	L-Methionine:tRNAMet ligase (AMP-forming)
R04405	5-Methyltetrahydropteroyltri-L-glutamate + L-Homocysteine <=> Tetrahydropteroyltri-L-glutamate + L-Methionine	5-Methyltetrahydropteroyltri-L-glutamate:L-homocysteine S-methyltransferase
R07396	4-Methylthio-2-oxobutanoic acid + L-Glutamate <=> L-Methionine + 2-Oxoglutarate	4-Methylthio-2-oxobutanoic acid + L-Glutamate <=> L-Methionine + 2-Oxoglutarate
R12055	L-Methionine + Indolepyruvate <=> 4-Methylthio-2-oxobutanoic acid + L-Tryptophan	L-methionine:indole-3-pyruvic acid aminotransferase

Table of KEGG human pathways containing Methionine

Pathway ID	Human Pathway	# of reactions
hsa00270	Cysteine and methionine metabolism	6
hsa01100	Metabolic pathways	2
hsa01230	Biosynthesis of amino acids	2
hsa00260	Glycine, serine and threonine metabolism	1
hsa00670	One carbon pool by folate	1
hsa00970	Aminoacyl-tRNA biosynthesis	1