CHEBI:6506 - Littorine

ChEBI IDCHEBI:6506
ChEBI NameLittorine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC17H23NO3
Net Charge0
Average Mass289.375
Monoisotopic Mass289.16779
SMILESCN1C2CCC1CC(OC(=O)[C@H](O)Cc1ccccc1)C2
InChIInChI=1S/C17H23NO3/c1-18-13-7-8-14(18)11-15(10-13)21-17(20)16(19)9-12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13?,14?,15?,16-/m1/s1
InChIKeyFNRXUEYLFZLOEZ-LGGPCSOHSA-N
Roles Classification
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)
Littorine (CHEBI:6506) is a tropane alkaloid (CHEBI:37332)
Littorine (CHEBI:6506) is conjugate base of (R)-littorine(1+) (CHEBI:234341)
Incoming Relation(s)
(R)-littorine(1+) (CHEBI:234341) is conjugate acid of Littorine (CHEBI:6506)
Synonym  Source
LittorineKEGG COMPOUND
Manual XrefsDatabases
C10860KEGG COMPOUND
C00002295KNApSAcK
Registry NumbersSources
CAS:21956-47-8KEGG COMPOUND