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CHEBI:80053 - Nostocyclopeptide A1

ChEBI IDCHEBI:80053
ChEBI NameNostocyclopeptide A1
Stars
DownloadsMolfile
FormulaC37H56N8O9
Net Charge0
Average Mass756.902
Monoisotopic Mass756.41703
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](CC(C)C)NC2=O
InChIInChI=1S/C37H56N8O9/c1-6-22(5)32-36(53)43-28(19-46)37(54)45-18-21(4)14-29(45)35(52)41-24(13-20(2)3)16-39-27(15-23-7-9-25(47)10-8-23)33(50)40-17-31(49)42-26(34(51)44-32)11-12-30(38)48/h7-10,16,20-22,24,26-29,32,46-47H,6,11-15,17-19H2,1-5H3,(H2,38,48)(H,40,50)(H,41,52)(H,42,49)(H,43,53)(H,44,51)/b39-16+/t21-,22-,24-,26+,27-,28-,29-,32-/m0/s1
InChIKeyTZHROWIOAVYSMP-DOPKCXIESA-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 A1 (CHEBI:80053) is a cyclic peptide (CHEBI:23449)
Manual XrefsDatabases
C15723KEGG COMPOUND