CHEBI:211053 - Miuraenamide A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Miuraenamide A
ChEBI ID CHEBI:211053
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C34H42BrN3O7
Net Charge 0
Average Mass 684.628
Monoisotopic Mass 683.22061
InChI InChI=1S/C34H42BrN3O7/c1-21-11-9-10-14-29(40)36-23(3)33(42)38(4)27(20-24-17-18-28(39)26(35)19-24)32(41)37-30(34(43)45-22(2)16-15-21)31(44-5)25-12-7-6-8-13-25/h6-8,11-13,17-19,22-23,27,39H,9-10,14-16,20H2,1-5H3,(H,36,40)(H,37,41)/b21-11+,31-30+
InChIKey LOOHMHDNJMUEAT-SFHJFPFYSA-N
SMILES BrC1=C(O)C=CC(=C1)CC2N(C(=O)C(NC(=O)CCCC=C(CCC(OC(\C(\NC2=O)=C(/OC)\C3=CC=CC=C3)=O)C)C)C)C
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Miuraenamide A (CHEBI:211053) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(3E,15E)-6-[(3-bromo-4-hydroxyphenyl)methyl]-3-[methoxy(phenyl)methylidene]-7,9,16,19-tetramethyl-1-oxa-4,7,10-triazacyclononadec-15-ene-2,5,8,11-tetrone
Manual Xref Database
17239389 ChemSpider
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