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CHEBI:3911 - Crenatine A

ChEBI IDCHEBI:3911
ChEBI NameCrenatine A
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC34H40N4O4
Net Charge0
Average Mass568.718
Monoisotopic Mass568.30496
SMILES[H][C@]1(c2ccccc2)Oc2ccc(cc2)/C=C\NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]1NC(=O)[C@H](CC(C)C)N(C)C
InChIInChI=1S/C34H40N4O4/c1-23(2)21-29(38(3)4)33(40)37-30-31(26-13-9-6-10-14-26)42-27-17-15-24(16-18-27)19-20-35-32(39)28(36-34(30)41)22-25-11-7-5-8-12-25/h5-20,23,28-31H,21-22H2,1-4H3,(H,35,39)(H,36,41)(H,37,40)/b20-19-/t28-,29-,30-,31+/m0/s1
InChIKeyNAMLDTWANUOXLT-GQIVPORTSA-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)
Crenatine A (CHEBI:3911) is a cyclic peptide (CHEBI:23449)
Synonym  Source
Crenatine AKEGG COMPOUND
Manual XrefsDatabases
C10002KEGG COMPOUND
C00001997KNApSAcK
Registry NumbersSources
CAS:52801-20-4KEGG COMPOUND