EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:92 - (−)-hygrine

ChEBI IDCHEBI:92
ChEBI Name(−)-hygrine
Stars
ASCII Name(-)-hygrine
DefinitionA 1-(1-methylpyrrolidin-2-yl)acetone that has S configuration.
Last Modified23 January 2015
DownloadsMolfile
FormulaC8H15NO
Net Charge0
Average Mass141.214
Monoisotopic Mass141.11536
SMILES[H][C@@]1(CC(C)=O)CCCN1C
InChIInChI=1S/C8H15NO/c1-7(10)6-8-4-3-5-9(8)2/h8H,3-6H2,1-2H3/t8-/m0/s1
InChIKeyADKXZIOQKHHDNQ-QMMMGPOBSA-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)
(−)-hygrine (CHEBI:92) is a 1-(1-methylpyrrolidin-2-yl)acetone (CHEBI:84448)
(−)-hygrine (CHEBI:92) is a pyrrolidine alkaloid (CHEBI:26456)
(−)-hygrine (CHEBI:92) is enantiomer of hygrine (CHEBI:46750)
Incoming Relation(s)
rac-hygrine (CHEBI:84449) has part (−)-hygrine (CHEBI:92)
hygrine (CHEBI:46750) is enantiomer of (−)-hygrine (CHEBI:92)
IUPAC Name 
1-[(2S)-1-methylpyrrolidin-2-yl]propan-2-one
Synonyms  Source
(-)-HygrineKEGG COMPOUND
(S)-hygrineChEBI
1-[(2S)-1-methylpyrrolidin-2-yl]acetoneChEBI
Manual XrefsDatabases
C11359KEGG COMPOUND
C00002046KNApSAcK
Registry NumbersSources
Beilstein:80978Beilstein
CAS:65941-22-2KEGG COMPOUND
Citations