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

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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 Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search 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 derivative (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