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CHEBI:5757 - homostachydrine

ChEBI IDCHEBI:5757
ChEBI Namehomostachydrine
Stars
DefinitionAn ammonium betaine that is pipecolic acid zwitterion with methyl groups substituted for the two hydrogens at the nitrogen. It is found in in fruits, seeds, and leaves of orange, lemon, and bergamot.
Last Modified4 August 2016
DownloadsMolfile
FormulaC8H15NO2
Net Charge0
Average Mass157.213
Monoisotopic Mass157.11028
SMILESC[N+]1(C)CCCCC1C(=O)[O-]
InChIInChI=1S/C8H15NO2/c1-9(2)6-4-3-5-7(9)8(10)11/h7H,3-6H2,1-2H3
InChIKeyXULZWQRXYTVUTE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Medicago sativa (ncbitaxon:3879) - PubMed (22208890)
Citrus bergamia (ncbitaxon:380129) - PubMed (22208890)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
homostachydrine (CHEBI:5757) has role plant metabolite (CHEBI:76924)
homostachydrine (CHEBI:5757) is a ammonium betaine (CHEBI:35284)
IUPAC Name 
1,1-dimethylpiperidinium-2-carboxylate
Synonym  Source
pipecolic acid betaineChEBI
Manual XrefsDatabases
C08283KEGG COMPOUND
US5972840Patent
C00001367KNApSAcK
Registry NumbersSources
Reaxys:4135110Reaxys
CAS:1195-94-4KEGG COMPOUND
Citations