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CHEBI:5936 - Integerrine

Default Structure
ChEBI IDCHEBI:5936
ChEBI NameIntegerrine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC35H39N5O4
Net Charge0
Average Mass593.728
Monoisotopic Mass593.30020
SMILES[H][C@]1(c2ccccc2)Oc2ccc(cc2)/C=C\NC(=O)[C@H](Cc2cnc3ccccc23)NC(=O)[C@H]1NC(=O)[C@H](C(C)C)N(C)C
InChIInChI=1S/C35H39N5O4/c1-22(2)31(40(3)4)35(43)39-30-32(24-10-6-5-7-11-24)44-26-16-14-23(15-17-26)18-19-36-33(41)29(38-34(30)42)20-25-21-37-28-13-9-8-12-27(25)28/h5-19,21-22,29-32,37H,20H2,1-4H3,(H,36,41)(H,38,42)(H,39,43)/b19-18-/t29-,30-,31-,32+/m0/s1
InChIKeyBDHCXPWIDHVEQN-LKTJRWEVSA-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)
Integerrine (CHEBI:5936) is a cyclic peptide (CHEBI:23449)
Synonym  Source
IntegerrineKEGG COMPOUND
Manual XrefsDatabases
C00002002KNApSAcK
C10007KEGG COMPOUND
Registry NumbersSources
CAS:18397-13-2KEGG COMPOUND