RefMet Compound Details

MW structure	37110 (View MW Metabolite Database details)
RefMet name	Proline
Systematic name	(2S)-pyrrolidine-2-carboxylic acid
SMILES	C1C[C@@H](C(=O)O)NC1   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass	115.063329 (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	C5H9NO2	View other entries in RefMet with this formula
InChI	InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1
InChIKey	ONIBWKKTOPOVIA-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	145742
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Proline

Rxn ID	KEGG Reaction	Enzyme
R00135	Peptide + H2O <=> L-Proline + Peptide	Peptide + H2O <=> L-Proline + Peptide
R03661	ATP + L-Proline + tRNA(Pro) <=> AMP + Diphosphate + L-Prolyl-tRNA(Pro)	L-proline:tRNA(Pro) ligase (AMP-forming)
R01248	L-Proline + NAD+ <=> (S)-1-Pyrroline-5-carboxylate + NADH + H+	L-Proline:NAD+ 5-oxidoreductase
R01251	L-Proline + NADP+ <=> (S)-1-Pyrroline-5-carboxylate + NADPH + H+	L-Proline:NADP+ 5-oxidoreductase
R01253	L-Proline + Quinone <=> (S)-1-Pyrroline-5-carboxylate + Hydroquinone	L-proline:quinone oxidoreductase
R10507	L-Proline + FAD <=> (S)-1-Pyrroline-5-carboxylate + FADH2	L-proline:(acceptor) oxidoreductase
R01252	L-Proline + 2-Oxoglutarate + Oxygen <=> Hydroxyproline + Succinate + CO2	L-Proline,2-oxoglutarate:oxygen oxidoreductase (4-hydroxylating)

Table of KEGG human pathways containing Proline

Pathway ID	Human Pathway	# of reactions
hsa00330	Arginine and proline metabolism	6
hsa01100	Metabolic pathways	4
hsa01230	Biosynthesis of amino acids	2
hsa00970	Aminoacyl-tRNA biosynthesis	1