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CHEBI:68296 - bunodosine 391
| Formula | C16H15BrN4O3 |
| Net Charge | 0 |
| Average Mass | 391.225 |
| Monoisotopic Mass | 390.03275 |
| SMILES | O=C(Cc1cnc2cc(Br)ccc12)N[C@@H](Cc1cncn1)C(=O)O |
| InChI | InChI=1S/C16H15BrN4O3/c17-10-1-2-12-9(6-19-13(12)4-10)3-15(22)21-14(16(23)24)5-11-7-18-8-20-11/h1-2,4,6-8,14,19H,3,5H2,(H,18,20)(H,21,22)(H,23,24)/t14-/m0/s1 |
| InChIKey | LOMFXKXCWNVMLI-AWEZNQCLSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Bunodosoma cangicum (ncbitaxon:138296) | - | PubMed (21309590) |
| Roles Classification |
|---|
| Biological Roles: | analgesic An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms. marine metabolite Any metabolite produced during a metabolic reaction in marine macro- and microorganisms. |
| Application: | analgesic An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| bunodosine 391 (CHEBI:68296) has role analgesic (CHEBI:35480) |
| bunodosine 391 (CHEBI:68296) has role marine metabolite (CHEBI:76507) |
| bunodosine 391 (CHEBI:68296) is a L-histidine derivative (CHEBI:84076) |
| bunodosine 391 (CHEBI:68296) is a indoles (CHEBI:24828) |
| bunodosine 391 (CHEBI:68296) is a monocarboxylic acid amide (CHEBI:29347) |
| bunodosine 391 (CHEBI:68296) is a organobromine compound (CHEBI:37141) |
| IUPAC Name |
|---|
| N-[(6-bromo-1H-indol-3-yl)acetyl]-L-histidine |
| Synonym | Source |
|---|---|
| BDS 391 | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:21394584 | Reaxys |
| Citations |
|---|