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CHEBI:2494 - Adouetine Z

ChEBI IDCHEBI:2494
ChEBI NameAdouetine Z
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC42H45N5O5
Net Charge0
Average Mass699.852
Monoisotopic Mass699.34207
SMILES[H][C@]1(c2ccccc2)Oc2ccc(cc2)/C=C\NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N(C)C
InChIInChI=1S/C42H45N5O5/c1-46(2)36(28-31-15-8-4-9-16-31)42(51)47-26-12-19-35(47)40(49)45-37-38(32-17-10-5-11-18-32)52-33-22-20-29(21-23-33)24-25-43-39(48)34(44-41(37)50)27-30-13-6-3-7-14-30/h3-11,13-18,20-25,34-38H,12,19,26-28H2,1-2H3,(H,43,48)(H,44,50)(H,45,49)/b25-24-/t34-,35-,36-,37-,38+/m0/s1
InChIKeyWQGSMNQYDWWZGF-RLLMKXODSA-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)
Adouetine Z (CHEBI:2494) is a cyclic peptide (CHEBI:23449)
Synonym  Source
Adouetine ZKEGG COMPOUND
Manual XrefsDatabases
C09995KEGG COMPOUND
C00001990KNApSAcK
Registry NumbersSources
CAS:19542-40-6KEGG COMPOUND