CHEBI:2967 - BQ 518

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ChEBI Name BQ 518
ChEBI ID CHEBI:2967
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C32H38N6O7S
Net Charge 0
Average Mass 650.747
Monoisotopic Mass 650.25227
InChI InChI=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
InChIKey KXUDUVUGZWJNHV-QEXRHJMMSA-N
SMILES CC(C)C[C@@H]1NC(=O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)c1cccs1
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing BQ 518 (CHEBI:2967) is a cyclic peptide (CHEBI:23449)
Synonym Source
BQ 518 KEGG COMPOUND
Manual Xref Database
C11589 KEGG COMPOUND
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Last Modified
28 July 2014