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CHEBI:80054 - Nostocyclopeptide A2

ChEBI IDCHEBI:80054
ChEBI NameNostocyclopeptide A2
Stars
DownloadsMolfile
FormulaC40H54N8O9
Net Charge0
Average Mass790.919
Monoisotopic Mass790.40138
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](Cc1ccccc1)NC2=O
InChIInChI=1S/C40H54N8O9/c1-4-24(3)35-39(56)46-31(22-49)40(57)48-21-23(2)16-32(48)38(55)44-27(17-25-8-6-5-7-9-25)19-42-30(18-26-10-12-28(50)13-11-26)36(53)43-20-34(52)45-29(37(54)47-35)14-15-33(41)51/h5-13,19,23-24,27,29-32,35,49-50H,4,14-18,20-22H2,1-3H3,(H2,41,51)(H,43,53)(H,44,55)(H,45,52)(H,46,56)(H,47,54)/b42-19+/t23-,24-,27-,29+,30-,31-,32-,35-/m0/s1
InChIKeyOYHPNVXZUBWKJE-ZYAMHZMNSA-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 A2 (CHEBI:80054) is a cyclic peptide (CHEBI:23449)
Manual XrefsDatabases
C15724KEGG COMPOUND