Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	37592
Common Name:	D-1-Piperideine-2-carboxylic acid
Systematic Name:	3,4,5,6-tetrahydropyridine-2-carboxylic acid
RefMet Name:	D-1-Piperideine-2-carboxylic acid
Synonyms:	[PubChem Synonyms]
Exact Mass:	127.0633 (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-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C6H9NO2
InChIKey:	GEJXSVNGWOSZPC-UHFFFAOYSA-N
ClassyFire superclass:	Organoheterocyclic compounds [C0000002]
ClassyFire class:	Pyridines and derivatives [C0000089]
ClassyFire subclass:	Hydropyridines [C0002224]
ClassyFire direct parent:	Tetrahydropyridines [C0001934]
SMILES:	C1CCN=C(C1)C(=O)O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	1194
CHEBI ID:	30912
HMDB ID:	HMDB0001084
KEGG ID:	C04092
Chemspider ID:	1157
METLIN ID:	5992
MetaCyc ID:	DELTA1-PIPERIDEINE-2-CARBOXYLATE
Plant Metabolite Hub(Pmhub):	MS000018201

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y