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CHEBI:80055 - Nostocyclopeptide A3

ChEBI IDCHEBI:80055
ChEBI NameNostocyclopeptide A3
Stars
DownloadsMolfile
FormulaC41H56N8O9
Net Charge0
Average Mass804.946
Monoisotopic Mass804.41703
SMILES[H][C@@]12C[C@H](C)CN1C(=O)[C@H](CO)NC(=O)[C@]([H])([C@@H](C)CC)NC(=O)[C@@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)/N=C/[C@H](Cc1ccc(C)cc1)NC2=O
InChIInChI=1S/C41H56N8O9/c1-5-25(4)36-40(57)47-32(22-50)41(58)49-21-24(3)16-33(49)39(56)45-28(17-26-8-6-23(2)7-9-26)19-43-31(18-27-10-12-29(51)13-11-27)37(54)44-20-35(53)46-30(38(55)48-36)14-15-34(42)52/h6-13,19,24-25,28,30-33,36,50-51H,5,14-18,20-22H2,1-4H3,(H2,42,52)(H,44,54)(H,45,56)(H,46,53)(H,47,57)(H,48,55)/b43-19+/t24-,25-,28-,30+,31-,32-,33-,36-/m0/s1
InChIKeyIFBHVTFUCLENGH-BRCHQKTHSA-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)
Nostocyclopeptide A3 (CHEBI:80055) is a cyclic peptide (CHEBI:23449)
Manual XrefsDatabases
C15725KEGG COMPOUND