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CHEBI:198771 - Miuraenamide E

Default Structure
ChEBI IDCHEBI:198771
ChEBI NameMiuraenamide E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H40BrN3O7
Net Charge0
Average Mass670.601
Monoisotopic Mass669.20496
SMILESC/C1=C/CCCC(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc2ccc(O)c(Br)c2)C(=O)NC(C(=O)c2ccccc2)C(=O)O[C@@H](C)CC1
InChIInChI=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
InChIKeyPFISZTVHMXNMTO-SDRVVIQWSA-N
Species of MetaboliteComponentSourceComments
Paraliomyxa (ncbitaxon:2983700) - PubMed (18022981)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
78436403ChemSpider