RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0135903
RefMet name	Lysine
Systematic name	(2S)-2,6-diaminohexanoic acid
Synonyms	PubChem Synonyms
Exact mass	146.105528 (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	C6H14N2O2	View other entries in RefMet with this formula
Molecular descriptors
Molfile	37121 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1
InChIKey	KDXKERNSBIXSRK-YFKPBYRVSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C(CCN)C[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 Lysine in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Studies	NMDR Studies reporting Lysine
External Links
Pubchem CID	5962
ChEBI ID	18019
KEGG ID	C00047
HMDB ID	HMDB0000182
Chemspider ID	5747
MetaCyc ID	LYS
PhytoHub DB	PHUB002354
Spectral data for Lysine 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 Lysine

Rxn ID	KEGG Reaction	Enzyme
R00715	N6-(L-1,3-Dicarboxypropyl)-L-lysine + NAD+ + H2O <=> L-Lysine + 2-Oxoglutarate + NADH + H+	N6-(L-1,3-Dicarboxypropyl)-L-lysine:NAD+ oxidoreductase (L-lysine-forming)
R00716	N6-(L-1,3-Dicarboxypropyl)-L-lysine + NADP+ + H2O <=> L-Lysine + 2-Oxoglutarate + NADPH + H+	N6-(L-1,3-Dicarboxypropyl)-L-lysine:NADP+ oxidoreductase (L-lysine-forming)
R03658	ATP + L-Lysine + tRNA(Lys) <=> AMP + Diphosphate + L-Lysyl-tRNA	L-lysine:tRNALys ligase (AMP-forming)

Table of KEGG human pathways containing Lysine

Pathway ID	Human Pathway	# of reactions
hsa00310	Lysine degradation	1
hsa00780	Biotin metabolism	1
hsa00970	Aminoacyl-tRNA biosynthesis	1
hsa01100	Metabolic pathways	1