CHEBI:80046 - Myxochromide S3

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ChEBI Name Myxochromide S3
ChEBI ID CHEBI:80046
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C40H56N6O8
Net Charge 0
Average Mass 748.90800
Monoisotopic Mass 748.41596
InChI InChI=1S/C40H56N6O8/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(48)46(7)35-30(6)54-40(53)31(24-25-33(41)47)44-37(50)29(5)42-36(49)28(4)43-38(51)32(26-27(2)3)45-39(35)52/h8-23,27-32,35H,24-26H2,1-7H3,(H2,41,47)(H,42,49)(H,43,51)(H,44,50)(H,45,52)/b9-8+,11-10+,13-12+,15-14+,17-16+,19-18+,21-20+,23-22+/t28-,29-,30+,31-,32-,35-/m0/s1
InChIKey OPTHDMYHZAOJMC-GHQGPCFMSA-N
SMILES C\C=C\C=C\C=C\C=C\C=C\C=C\C=C\C=C\C(=O)N(C)[C@H]1[C@@H](C)OC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)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 Myxochromide S3 (CHEBI:80046) is a cyclodepsipeptide (CHEBI:35213)
Manual Xref Database
C15716 KEGG COMPOUND
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