CHEBI:68296 - bunodosine 391

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ChEBI Name bunodosine 391
ChEBI ID CHEBI:68296
Definition A N-acylamino acid that is L-histidine acylated at the nitrogen atom of the amino group by a (6-bromo-1H-indol-3-yl)acetyl residue. Isolated from the venom of the sea anemone Bunodosoma cangicum, it exhibits analgesic activity.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C16H15BrN4O3
Net Charge 0
Average Mass 391.21900
Monoisotopic Mass 390.03275
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
SMILES OC(=O)[C@H](Cc1c[nH]cn1)NC(=O)Cc1c[nH]c2cc(Br)ccc12
Metabolite of Species Details
Bunodosoma cangicum (NCBI:txid138296) See: PubMed
Roles Classification
Biological Role(s): marine metabolite
Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
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.
Application(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Number Type Source
21394584 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21309590 PubMed citation Europe PMC
Last Modified
07 January 2015