CHEBI:198771 - Miuraenamide E

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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 E
ChEBI ID CHEBI:198771
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C33H40BrN3O7
Net Charge 0
Average Mass 670.601
Monoisotopic Mass 669.20496
InChI InChI=1S/C33H40BrN3O7/c1-20-10-8-9-13-28(39)35-22(3)32(42)37(4)26(19-23-16-17-27(38)25(34)18-23)31(41)36-29(33(43)44-21(2)15-14-20)30(40)24-11-6-5-7-12-24/h5-7,10-12,16-18,21-22,26,29,38H,8-9,13-15,19H2,1-4H3,(H,35,39)(H,36,41)/b20-10-/t21-,22-,26+,29?/m0/s1
InChIKey PFISZTVHMXNMTO-SDRVVIQWSA-N
SMILES BrC1=C(O)C=CC(=C1)C[C@H]2N(C(=O)[C@@H](NC(=O)CCCC=C(CC[C@@H](OC(C(NC2=O)C(=O)C3=CC=CC=C3)=O)C)C)C)C
Metabolite of Species Details
Paraliomyxa (NCBI:txid2983700) See: PubMed
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 E (CHEBI:198771) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(6R,9S,15Z,19S)-3-benzoyl-6-[(3-bromo-4-hydroxyphenyl)methyl]-7,9,16,19-tetramethyl-1-oxa-4,7,10-triazacyclononadec-15-ene-2,5,8,11-tetrone
Manual Xref Database
78436403 ChemSpider
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