RefMet Compound Details

MW structure	37171 (View MW Metabolite Database details)
RefMet name	Pyroglutamic acid
Systematic name	(2S)-5-oxopyrrolidine-2-carboxylic acid
SMILES	C1CC(=O)N[C@@H]1C(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass	129.042594 (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	C5H7NO3	View other entries in RefMet with this formula
InChI	InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1
InChIKey	ODHCTXKNWHHXJC-VKHMYHEASA-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	7405
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Pyroglutamic acid

Rxn ID	KEGG Reaction	Enzyme
R03749	(5-L-Glutamyl)-L-amino acid <=> 5-Oxoproline + L-Amino acid	(5-L-glutamyl)-L-amino-acid gamma-glutamyl cyclotransferase (5-oxoproline-forming)
R00251	ATP + 5-Oxoproline + 2 H2O <=> ADP + Orthophosphate + L-Glutamate	5-oxo-L-proline amidohydrolase (ATP-hydrolysing)

Table of KEGG human pathways containing Pyroglutamic acid

Pathway ID	Human Pathway	# of reactions
hsa00480	Glutathione metabolism	4