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CHEBI:15645 - (6S)-6-hydroxyhyoscyamine
| Formula | C17H23NO4 |
| Net Charge | 0 |
| Average Mass | 305.374 |
| Monoisotopic Mass | 305.16271 |
| SMILES | CN1[C@H]2C[C@H](OC(=O)C(CO)c3ccccc3)C[C@@H]1[C@@H](O)C2 |
| 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 |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (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 Relation(s) |
| (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 | Source |
|---|---|
| (6S)-Hydroxyhyoscyamine | KEGG COMPOUND |
| (6S)-6-Hydroxyhyoscyamine | KEGG COMPOUND |
| (3S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]oct-3-yl tropate | ChEBI |
| (6S)-hydroxyhyoscyamine | ChEBI |
| (6S)-6-hydroxyhyoscyamine | ChEBI |