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CHEBI:65045 - festuclavine(1+)

ChEBI IDCHEBI:65045
ChEBI Namefestuclavine(1+)
Stars
DefinitionAn organic cation obtained by deprotonation of the tertiary amino group of festuclavine; major species at pH 7.3.
Last Modified25 June 2012
SubmitterSteve
DownloadsMolfile
FormulaC16H21N2
Net Charge+1
Average Mass241.358
Monoisotopic Mass241.16993
SMILES[H][C@@]12Cc3cnc4cccc(c34)[C@@]1([H])C[C@@H](C)C[NH+]2C
InChIInChI=1S/C16H20N2/c1-10-6-13-12-4-3-5-14-16(12)11(8-17-14)7-15(13)18(2)9-10/h3-5,8,10,13,15,17H,6-7,9H2,1-2H3/p+1/t10-,13-,15-/m1/s1
InChIKeyVLMZMRDOMOGGFA-WDBKCZKBSA-O
ChEBI Ontology
Outgoing Relation(s)
festuclavine(1+) (CHEBI:65045) is a ammonium ion derivative (CHEBI:35274)
festuclavine(1+) (CHEBI:65045) is a organic cation (CHEBI:25697)
festuclavine(1+) (CHEBI:65045) is conjugate acid of festuclavine (CHEBI:65035)
Incoming Relation(s)
festuclavine (CHEBI:65035) is conjugate base of festuclavine(1+) (CHEBI:65045)
IUPAC Name 
(8β)-6,8-dimethylergolin-6-ium
Synonym  Source
festuclavinium(1+)ChEBI
UniProt Name  Source
festuclavineUniProt
Citations