RefMet Compound Details

RefMet ID	RM0161726
MW structure	37371 (View MW Metabolite Database details)
RefMet name	Methionine
Systematic name	(2S)-2-amino-4-(methylsulfanyl)butanoic acid
SMILES	CSCC[C@@H](C(=O)O)N   Run Tanimoto similarity search (with similarity coefficient >=0.6)
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
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
Super Class	Organic acids
Main Class	Amino acids and peptides
Sub Class	Amino acids
Pubchem CID	6137
ChEBI ID	16643
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