Metabolomics Structure Database

 
MW REGNO: 37384
Common Name:L-Pipecolic acid
Systematic Name:(2S)-piperidine-2-carboxylic acid
RefMet Name:Pipecolic acid
Synonyms: [PubChem Synonyms]
Exact Mass:
129.0790 (neutral)    Calculate m/z:
Formula:C6H11NO2
InChIKey:HXEACLLIILLPRG-YFKPBYRVSA-N
ClassyFire superclass:Organic acids and derivatives [C0000264]
ClassyFire class:Carboxylic acids and derivatives [C0000265]
ClassyFire subclass:Amino acids, peptides, and analogues [C0000013]
ClassyFire direct parent:Alpha amino acids [C0002404]
MoNA MS spectra:View MS spectra
NP-MRD NMR spectra:View NMR spectra
SMILES:OC(=O)[C@@H]1CCCCN1
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:439227
CHEBI ID:30913
HMDB ID:HMDB0000716
KEGG ID:C00408
Chemspider ID:388365
METLIN ID:5684
BMRB ID:bmse000237
MetaCyc ID:L-PIPECOLATE
NP-MRD ID(NMR):NP0000746

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

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