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CHEBI:63113 - fingolimod(1+)

ChEBI IDCHEBI:63113
ChEBI Namefingolimod(1+)
Stars
DefinitionAn organic cation that is the conjugate acid of fingolimod.
Last Modified30 April 2013
SubmitterSteve
DownloadsMolfile
FormulaC19H34NO2
Net Charge+1
Average Mass308.486
Monoisotopic Mass308.25841
SMILESCCCCCCCCc1ccc(CCC([NH3+])(CO)CO)cc1
InChIInChI=1S/C19H33NO2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-22/h9-12,21-22H,2-8,13-16,20H2,1H3/p+1
InChIKeyKKGQTZUTZRNORY-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
fingolimod(1+) (CHEBI:63113) is a ammonium ion derivative (CHEBI:35274)
fingolimod(1+) (CHEBI:63113) is a organic cation (CHEBI:25697)
fingolimod(1+) (CHEBI:63113) is conjugate acid of fingolimod (CHEBI:63115)
Incoming Relation(s)
fingolimod hydrochloride (CHEBI:63112) has part fingolimod(1+) (CHEBI:63113)
fingolimod (CHEBI:63115) is conjugate base of fingolimod(1+) (CHEBI:63113)
IUPAC Name 
1-hydroxy-2-(hydroxymethyl)-4-(4-octylphenyl)butan-2-aminium
Synonym  Source
fingolimod cationChEBI