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CHEBI:3364 - Canthiumine

ChEBI IDCHEBI:3364
ChEBI NameCanthiumine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC33H36N4O4
Net Charge0
Average Mass552.675
Monoisotopic Mass552.27366
SMILES[H][C@@]12CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)N(C)C)[C@@]([H])(c1ccccc1)Oc1ccc(cc1)/C=C\NC2=O
InChIInChI=1S/C33H36N4O4/c1-36(2)28(22-24-10-5-3-6-11-24)32(39)35-29-30(25-12-7-4-8-13-25)41-26-17-15-23(16-18-26)19-20-34-31(38)27-14-9-21-37(27)33(29)40/h3-8,10-13,15-20,27-30H,9,14,21-22H2,1-2H3,(H,34,38)(H,35,39)/b20-19-/t27-,28-,29-,30+/m0/s1
InChIKeyDTRFQNPOYWLHOU-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)
Canthiumine (CHEBI:3364) is a cyclic peptide (CHEBI:23449)
Synonym  Source
CanthiumineKEGG COMPOUND
Manual XrefsDatabases
C10000KEGG COMPOUND
C00001995KNApSAcK
Registry NumbersSources
CAS:26195-90-4KEGG COMPOUND