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CHEBI:5934 - Integerressine

ChEBI IDCHEBI:5934
ChEBI NameIntegerressine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC33H38N4O4
Net Charge0
Average Mass554.691
Monoisotopic Mass554.28931
SMILES[H][C@]1(c2ccccc2)Oc2ccc(cc2)/C=C\NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]1NC(=O)[C@H](C(C)C)N(C)C
InChIInChI=1S/C33H38N4O4/c1-22(2)29(37(3)4)33(40)36-28-30(25-13-9-6-10-14-25)41-26-17-15-23(16-18-26)19-20-34-31(38)27(35-32(28)39)21-24-11-7-5-8-12-24/h5-20,22,27-30H,21H2,1-4H3,(H,34,38)(H,35,39)(H,36,40)/b20-19-/t27-,28-,29-,30+/m0/s1
InChIKeyQMQZKCJJHAIMPG-RIINEJRYSA-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)
Integerressine (CHEBI:5934) is a cyclic peptide (CHEBI:23449)
Synonym  Source
IntegerressineKEGG COMPOUND
Manual XrefsDatabases
C10006KEGG COMPOUND
C00002001KNApSAcK
Registry NumbersSources
CAS:17948-40-2KEGG COMPOUND