RefMet Compound Details

MW structure	37113 (View MW Metabolite Database details)
RefMet name	Threonine
Systematic name	(2S,3R)-2-amino-3-hydroxybutanoic acid
SMILES	C[C@@H](O)[C@H](N)C(O)=O
Exact mass	119.058244 (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	C4H9NO3	View other entries in RefMet with this formula
InChI	InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1
InChIKey	AYFVYJQAPQTCCC-GBXIJSLDSA-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	6288
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
Human quantitation	View measurements in targeted assays on human samples

Table of KEGG reactions in human pathways involving Threonine

Rxn ID	KEGG Reaction	Enzyme
R00996	L-Threonine <=> 2-Oxobutanoate + Ammonia	L-threonine ammonia-lyase (2-oxobutanoate-forming)

Table of KEGG human pathways containing Threonine

Pathway ID	Human Pathway	# of reactions
hsa00260	Glycine, serine and threonine metabolism	1
hsa00290	Valine, leucine and isoleucine biosynthesis	1
hsa01230	Biosynthesis of amino acids	1