CHEBI:15645 - (6S)-6-hydroxyhyoscyamine

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name (6S)-6-hydroxyhyoscyamine ChEBI ID CHEBI:15645 ChEBI ASCII Name (6S)-6-hydroxyhyoscyamine Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:10930, CHEBI:258, CHEBI:18611, CHEBI:10929 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 C17H23NO4 Net Charge 0 Average Mass 305.36886 Monoisotopic Mass 305.16271 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/t12-,13-,14?,15+,16-/m0/s1 InChIKey WTQYWNWRJNXDEG-VXUTWAGNSA-N SMILES CN1[C@H]2C[C@@H](C[C@@H]1[C@@H](O)C2)OC(=O)C(CO)c1ccccc1 Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) View more via ChEBI Ontology ChEBI Ontology Outgoing (6S)-6-hydroxyhyoscyamine (CHEBI:15645) has functional parent atropine (CHEBI:16684) (6S)-6-hydroxyhyoscyamine (CHEBI:15645) is a tertiary amine (CHEBI:32876) (6S)-6-hydroxyhyoscyamine (CHEBI:15645) is conjugate base of (6S)-6-hydroxyhyoscyaminium (CHEBI:57459) Incoming (6S)-6-hydroxyhyoscyaminium (CHEBI:57459) is conjugate acid of (6S)-6-hydroxyhyoscyamine (CHEBI:15645) IUPAC Name (1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]oct-3-yl 3-hydroxy-2-phenylpropanoate Synonyms Sources (3S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]oct-3-yl tropate ChEBI (6S)-6-hydroxyhyoscyamine ChEBI (6S)-6-Hydroxyhyoscyamine KEGG COMPOUND (6S)-hydroxyhyoscyamine ChEBI (6S)-Hydroxyhyoscyamine KEGG COMPOUND Manual Xref Database C03325 KEGG COMPOUND View more database links Last Modified 04 August 2014