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CHEBI:80063 - Patellamide A

ChEBI IDCHEBI:80063
ChEBI NamePatellamide A
Stars
DownloadsMolfile
FormulaC35H50N8O6S2
Net Charge0
Average Mass742.969
Monoisotopic Mass742.32947
SMILES[H][C@@]12COC(=N1)[C@]([H])([C@@H](C)CC)NC(=O)c1csc(n1)[C@@H](C(C)C)NC(=O)[C@@]1([H])N=C(O[C@@H]1C)[C@]([H])([C@@H](C)CC)NC(=O)c1csc(n1)[C@@H](C(C)C)NC2=O
InChIInChI=1S/C35H50N8O6S2/c1-10-17(7)25-32-36-20(12-48-32)28(44)39-23(15(3)4)34-37-22(14-50-34)30(46)42-26(18(8)11-2)33-43-27(19(9)49-33)31(47)40-24(16(5)6)35-38-21(13-51-35)29(45)41-25/h13-20,23-27H,10-12H2,1-9H3,(H,39,44)(H,40,47)(H,41,45)(H,42,46)/t17-,18-,19+,20-,23+,24+,25-,26-,27-/m0/s1
InChIKeyZGJIVWQOEHQWLW-SWTUTNCKSA-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)
Patellamide A (CHEBI:80063) is a cyclic peptide (CHEBI:23449)
Manual XrefsDatabases
C15734KEGG COMPOUND
C00028807KNApSAcK
Registry NumbersSources
CAS:81120-73-2KEGG COMPOUND