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bunodosine 391

Go to external page http://purl.obolibrary.org/obo/CHEBI_68296

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.

Term info

Label

bunodosine 391

Synonyms
  • N-[(6-bromo-1H-indol-3-yl)acetyl]-L-histidine
database cross reference
Subsets

3_STAR

IUPAC NAME
N-[(6-bromo-1H-indol-3-yl)acetyl]-L-histidine [ IUPAC ]

charge

0

formula

C16H15BrN4O3

has obo namespace

chebi_ontology

id

CHEBI:68296

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

mass

391.21900

monoisotopicmass

390.03275

smiles

OC(=O)[C@H](Cc1c[nH]cn1)NC(=O)Cc1c[nH]c2cc(Br)ccc12