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CHEBI:2967 - BQ 518

ChEBI IDCHEBI:2967
ChEBI NameBQ 518
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC32H38N6O7S
Net Charge0
Average Mass650.758
Monoisotopic Mass650.25227
SMILESCC(C)C[C@@H]1NC(=O)[C@@H](c2cccs2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](Cc2cnc3ccccc23)NC1=O
InChIInChI=1S/C32H38N6O7S/c1-17(2)13-21-28(41)34-22(14-18-16-33-20-8-4-3-7-19(18)20)29(42)36-23(15-26(39)40)32(45)38-11-5-9-24(38)30(43)37-27(31(44)35-21)25-10-6-12-46-25/h3-4,6-8,10,12,16-17,21-24,27,33H,5,9,11,13-15H2,1-2H3,(H,34,41)(H,35,44)(H,36,42)(H,37,43)(H,39,40)/t21-,22+,23+,24-,27+/m0/s1
InChIKeyKXUDUVUGZWJNHV-QEXRHJMMSA-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)
BQ 518 (CHEBI:2967) is a cyclic peptide (CHEBI:23449)
Synonym  Source
BQ 518KEGG COMPOUND
Manual XrefsDatabases
C11589KEGG COMPOUND