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CHEBI:67146 - fumigaclavine B(1+)

ChEBI IDCHEBI:67146
ChEBI Namefumigaclavine B(1+)
Stars
DefinitionAn ammonium ion obtained by the protonation of the tertiary amino group of the fumigaclavine B; major species pH 7.3.
Last Modified20 August 2012
SubmitterKAX
DownloadsMolfile
FormulaC16H21N2O
Net Charge+1
Average Mass257.357
Monoisotopic Mass257.16484
SMILES[H][C@@]12c3cccc4ncc(c34)C[C@@]1([H])[NH+](C)C[C@H](C)[C@@H]2O
InChIInChI=1S/C16H20N2O/c1-9-8-18(2)13-6-10-7-17-12-5-3-4-11(14(10)12)15(13)16(9)19/h3-5,7,9,13,15-17,19H,6,8H2,1-2H3/p+1/t9-,13+,15+,16-/m0/s1
InChIKeyJUXRVSRUBIFVKE-CIGJXOAISA-O
ChEBI Ontology
Outgoing Relation(s)
fumigaclavine B(1+) (CHEBI:67146) is a ammonium ion derivative (CHEBI:35274)
fumigaclavine B(1+) (CHEBI:67146) is a organic cation (CHEBI:25697)
fumigaclavine B(1+) (CHEBI:67146) is conjugate acid of fumigaclavine B (CHEBI:67156)
Incoming Relation(s)
fumigaclavine B (CHEBI:67156) is conjugate base of fumigaclavine B(1+) (CHEBI:67146)
IUPAC Name 
(8β,9β)-9-hydroxy-6,8-dimethylergolin-6-ium
UniProt Name  Source
fumigaclavine BUniProt
Manual XrefsDatabases
CPD-12330MetaCyc
Citations