RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0135981
RefMet name	Pipecolic acid
Systematic name	(2S)-piperidine-2-carboxylic acid
Synonyms	PubChem Synonyms
Exact mass	129.078979 (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	C6H11NO2	View other entries in RefMet with this formula
Molecular descriptors
Molfile	37384 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1
InChIKey	HXEACLLIILLPRG-YFKPBYRVSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C1CCN[C@@H](C1)C(=O)O 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 Pipecolic acid in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Studies	NMDR Studies reporting Pipecolic acid
External Links
Pubchem CID	439227
ChEBI ID	30913
KEGG ID	C00408
HMDB ID	HMDB0000716
Chemspider ID	388365
MetaCyc ID	L-PIPECOLATE
Spectral data for Pipecolic acid 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 Pipecolic acid

Rxn ID	KEGG Reaction	Enzyme
R02204	L-Pipecolate + Oxygen <=> (S)-2,3,4,5-Tetrahydropyridine-2-carboxylate + Hydrogen peroxide	L-Pipecolate:oxygen 1,6-oxidoreductase
R02205	L-Pipecolate + FAD <=> FADH2 + (S)-2,3,4,5-Tetrahydropyridine-2-carboxylate	L-Pipecolate:(acceptor) 1,6-oxidoreductase
R08414	(S)-2,3,4,5-Tetrahydropyridine-2-carboxylate <=> L-Pipecolate	(S)-2,3,4,5-Tetrahydropyridine-2-carboxylate <=> L-Pipecolate

Table of KEGG human pathways containing Pipecolic acid

Pathway ID	Human Pathway	# of reactions
hsa01100	Metabolic pathways	2
hsa00310	Lysine degradation	1