RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0042268
RefMet name	(S)-1-Piperideine-6-carboxylic acid
Systematic name	(2S)-2,3,4,5-tetrahydropyridine-2-carboxylic acid
Synonyms	PubChem Synonyms
Exact mass	127.063329 (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	C6H9NO2	View other entries in RefMet with this formula
Molecular descriptors
Molfile	57169 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C6H9NO2/c8-6(9)5-3-1-2-4-7-5/h4-5H,1-3H2,(H,8,9)/t5-/m0/s1
InChIKey	CSDPVAKVEWETFG-YFKPBYRVSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C1CC=N[C@@H](C1)C(=O)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Organoheterocyclic compounds
Main Class	Hydropyridines
Sub Class	Tetrahydropyridines
Distribution of (S)-1-Piperideine-6-carboxylic acid in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting (S)-1-Piperideine-6-carboxylic acid
External Links
Pubchem CID	24771808
ChEBI ID	49014
KEGG ID	C00450
HMDB ID	HMDB0012130
Spectral data for (S)-1-Piperideine-6-carboxylic acid standards
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 (S)-1-Piperideine-6-carboxylic 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 (S)-1-Piperideine-6-carboxylic acid

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