EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:2493 - Adouetine Y

ChEBI IDCHEBI:2493
ChEBI NameAdouetine Y
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC34H40N4O4
Net Charge0
Average Mass568.718
Monoisotopic Mass568.30496
SMILES[H][C@@]1([C@@H](C)CC)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)N(C)C)[C@@]([H])(c2ccccc2)Oc2ccc(cc2)/C=C\NC1=O
InChIInChI=1S/C34H40N4O4/c1-5-23(2)29-33(40)35-21-20-24-16-18-27(19-17-24)42-31(26-14-10-7-11-15-26)30(34(41)36-29)37-32(39)28(38(3)4)22-25-12-8-6-9-13-25/h6-21,23,28-31H,5,22H2,1-4H3,(H,35,40)(H,36,41)(H,37,39)/b21-20-/t23-,28-,29-,30-,31+/m0/s1
InChIKeyGVFKEVFAPIUOAI-ONQAJXPKSA-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 Y (CHEBI:2493) is a cyclic peptide (CHEBI:23449)
Synonym  Source
Adouetine YKEGG COMPOUND
Manual XrefsDatabases
C09994KEGG COMPOUND
C00001989KNApSAcK
Registry NumbersSources
CAS:19542-38-2KEGG COMPOUND