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CHEBI:57459 - (6S)-6-hydroxyhyoscyaminium

ChEBI IDCHEBI:57459
ChEBI Name(6S)-6-hydroxyhyoscyaminium
Stars
ASCII Name(6S)-6-hydroxyhyoscyaminium
DefinitionConjugate acid of (6S)-6-hydroxyhyoscyamine arising from protonation of the bridging tertiary amino function.
Last Modified10 November 2014
DownloadsMolfile
FormulaC17H24NO4
Net Charge+1
Average Mass306.382
Monoisotopic Mass306.16998
SMILESC[NH+]1[C@H]2C[C@H](OC(=O)C(CO)c3ccccc3)C[C@@H]1[C@@H](O)C2
InChIInChI=1S/C17H23NO4/c1-18-12-7-13(9-15(18)16(20)8-12)22-17(21)14(10-19)11-5-3-2-4-6-11/h2-6,12-16,19-20H,7-10H2,1H3/p+1/t12-,13-,14?,15+,16-/m0/s1
InChIKeyWTQYWNWRJNXDEG-VXUTWAGNSA-O
ChEBI Ontology
Outgoing Relation(s)
(6S)-6-hydroxyhyoscyaminium (CHEBI:57459) is a ammonium ion derivative (CHEBI:35274)
(6S)-6-hydroxyhyoscyaminium (CHEBI:57459) is conjugate acid of (6S)-6-hydroxyhyoscyamine (CHEBI:15645)
Incoming Relation(s)
(6S)-6-hydroxyhyoscyamine (CHEBI:15645) is conjugate base of (6S)-6-hydroxyhyoscyaminium (CHEBI:57459)
IUPAC Name 
(1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azoniabicyclo[3.2.1]oct-3-yl 3-hydroxy-2-phenylpropanoate
Synonyms  Source
(6S)-6-hydroxyhyoscyaminium cationChEBI
(1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azoniabicyclo[3.2.1]oct-3-yl tropateChEBI
UniProt Name  Source
(6S)-6-hydroxyhyoscyamineUniProt