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CHEBI:27920 - cuscohygrine

ChEBI IDCHEBI:27920
ChEBI Namecuscohygrine
Stars
Secondary ChEBI IDsCHEBI:3963, CHEBI:23415
Last Modified3 August 2014
DownloadsMolfile
FormulaC13H24N2O
Net Charge0
Average Mass224.348
Monoisotopic Mass224.18886
SMILESCN1CCC[C@@H]1CC(=O)C[C@@H]1CCCN1C
InChIInChI=1S/C13H24N2O/c1-14-7-3-5-11(14)9-13(16)10-12-6-4-8-15(12)2/h11-12H,3-10H2,1-2H3/t11-,12+
InChIKeyZEBIACKKLGVLFZ-TXEJJXNPSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
cuscohygrine (CHEBI:27920) is a N-alkylpyrrolidine (CHEBI:46775)
cuscohygrine (CHEBI:27920) is a pyrrolidine alkaloid (CHEBI:26456)
IUPAC Name 
1-[(2R)-1-methylpyrrolidin-2-yl]-3-[(2S)-1-methylpyrrolidin-2-yl]propan-2-one
Synonyms  Source
CuscohygrineKEGG COMPOUND
CuskhygrineKEGG COMPOUND
1-[(2R)-1-methylpyrrolidin-2-yl]-3-[(2S)-1-methylpyrrolidin-2-yl]acetoneChEBI
meso-CuscohygrineChemIDplus
(R*,S*)-1,3-Bis(1-methyl-2-pyrrolidinyl)-2-propanoneChemIDplus
Manual XrefsDatabases
C06521KEGG COMPOUND
C00002034KNApSAcK
C00025564KNApSAcK
Registry NumbersSources
Beilstein:10142Beilstein
CAS:454-14-8KEGG COMPOUND
CAS:454-14-8ChemIDplus
CAS:454-14-8NIST Chemistry WebBook