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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (6S)-6-hydroxyhyoscyaminium
ChEBI ID CHEBI:57459
ChEBI ASCII Name (6S)-6-hydroxyhyoscyaminium
Definition Conjugate acid of (6S)-6-hydroxyhyoscyamine arising from protonation of the bridging tertiary amino function.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C17H24NO4
Net Charge +1
Average Mass 306.37680
Monoisotopic Mass 306.16998
InChI InChI=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
InChIKey WTQYWNWRJNXDEG-VXUTWAGNSA-O
SMILES C[NH+]1[C@H]2C[C@@H](C[C@@H]1[C@@H](O)C2)OC(=O)C(CO)c1ccccc1
ChEBI Ontology
Outgoing (6S)-6-hydroxyhyoscyaminium (CHEBI:57459) is a ammonium ion (CHEBI:35274)
(6S)-6-hydroxyhyoscyaminium (CHEBI:57459) is conjugate acid of (6S)-6-hydroxyhyoscyamine (CHEBI:15645)
Incoming (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 Sources
(1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azoniabicyclo[3.2.1]oct-3-yl tropate ChEBI
(6S)-6-hydroxyhyoscyamine UniProt
(6S)-6-hydroxyhyoscyaminium cation ChEBI
Last Modified
10 November 2014