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CHEBI:2801 - Aralionine A

ChEBI IDCHEBI:2801
ChEBI NameAralionine A
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC34H38N4O5
Net Charge0
Average Mass582.701
Monoisotopic Mass582.28422
SMILES[H][C@]1(c2ccccc2)Oc2ccc(cc2)/C=C\NC(=O)[C@H](C(=O)c2ccccc2)NC(=O)[C@H]1NC(=O)[C@H]([C@@H](C)CC)N(C)C
InChIInChI=1S/C34H38N4O5/c1-5-22(2)29(38(3)4)34(42)37-28-31(25-14-10-7-11-15-25)43-26-18-16-23(17-19-26)20-21-35-32(40)27(36-33(28)41)30(39)24-12-8-6-9-13-24/h6-22,27-29,31H,5H2,1-4H3,(H,35,40)(H,36,41)(H,37,42)/b21-20-/t22-,27-,28-,29-,31+/m0/s1
InChIKeyJGTFUPZKTHJDJO-NLPARSELSA-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)
Aralionine A (CHEBI:2801) is a cyclic peptide (CHEBI:23449)
Synonym  Source
Aralionine AKEGG COMPOUND
Manual XrefsDatabases
C09999KEGG COMPOUND
C00001994KNApSAcK
Registry NumbersSources
CAS:21761-48-8KEGG COMPOUND