CHEBI:80054 - Nostocyclopeptide A2

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ChEBI Name Nostocyclopeptide A2
ChEBI ID CHEBI:80054
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C40H54N8O9
Net Charge 0
Average Mass 790.90500
Monoisotopic Mass 790.40138
InChI InChI=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
InChIKey OYHPNVXZUBWKJE-ZYAMHZMNSA-N
SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)\N=C\[C@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@H](C)CN2C(=O)[C@H](CO)NC1=O
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing Nostocyclopeptide A2 (CHEBI:80054) is a cyclic peptide (CHEBI:23449)
Manual Xref Database
C15724 KEGG COMPOUND
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