EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:2965 - BQ 123

ChEBI IDCHEBI:2965
ChEBI NameBQ 123
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC31H42N6O7
Net Charge0
Average Mass610.712
Monoisotopic Mass610.31150
SMILESCC(C)C[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](Cc2cnc3ccccc23)NC1=O
InChIInChI=1S/C31H42N6O7/c1-16(2)12-21-27(40)33-22(13-18-15-32-20-9-6-5-8-19(18)20)28(41)35-23(14-25(38)39)31(44)37-11-7-10-24(37)29(42)36-26(17(3)4)30(43)34-21/h5-6,8-9,15-17,21-24,26,32H,7,10-14H2,1-4H3,(H,33,40)(H,34,43)(H,35,41)(H,36,42)(H,38,39)/t21-,22+,23+,24-,26+/m0/s1
InChIKeyVYCMAAOURFJIHD-PJNXIOHISA-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 123 (CHEBI:2965) is a cyclic peptide (CHEBI:23449)
Synonyms  Source
BQ 123KEGG COMPOUND
Cyclo[D-trp-D-asp-L-pro-D-val-L-leu]KEGG COMPOUND
Manual XrefsDatabases
C11587KEGG COMPOUND
Registry NumbersSources
CAS:136553-81-6KEGG COMPOUND