CHEBI:157781 - (S)-Homostachydrine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name (S)-Homostachydrine
ChEBI ID CHEBI:157781
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C8H15NO2
Net Charge 0
Average Mass 157.213
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/t7-/m0/s1
InChIKey XULZWQRXYTVUTE-ZETCQYMHSA-N
SMILES [O-]C(=O)[C@H]1[N+](CCCC1)(C)C
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (S)-Homostachydrine (CHEBI:157781) is a L-α-amino acid (CHEBI:15705)
IUPAC Name
(2S)-1,1-dimethylpiperidin-1-ium-2-carboxylate
Manual Xrefs Databases
390180 ChemSpider
C08283 KEGG COMPOUND
HMDB0033433 HMDB
View more database links
Registry Number Type Source
472-22-0 CAS Registry Number ChemIDplus