CHEBI:5757 - homostachydrine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name homostachydrine
ChEBI ID CHEBI:5757
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C8H15NO2
Net Charge 0
Average Mass 157.21020
Monoisotopic Mass 157.11028
InChI InChI=1S/C8H15NO2/c1-9(2)6-4-3-5-7(9)8(10)11/h7H,3-6H2,1-2H3
InChIKey XULZWQRXYTVUTE-UHFFFAOYSA-N
SMILES C[N+]1(C)CCCCC1C([O-])=O
Metabolite of Species Details
Citrus bergamia (NCBI:txid380129) See: PubMed
Medicago sativa (NCBI:txid3879) See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 betaine ChEBI
Manual Xrefs Databases
C00001367 KNApSAcK
C08283 KEGG COMPOUND
US5972840 Patent
View more database links
Registry Numbers Types Sources
1195-94-4 CAS Registry Number KEGG COMPOUND
4135110 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
22208890 PubMed citation Europe PMC
Last Modified
04 August 2016