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CHEBI:203796 - Miyakamide B1

ChEBI IDCHEBI:203796
ChEBI NameMiyakamide B1
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SubmitterMetaboLights
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FormulaC31H32N4O4
Net Charge0
Average Mass524.621
Monoisotopic Mass524.24236
SMILESCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N/C=C\c1cnc2ccccc12
InChIInChI=1S/C31H32N4O4/c1-21(36)34-28(18-23-12-14-25(37)15-13-23)31(39)35(2)29(19-22-8-4-3-5-9-22)30(38)32-17-16-24-20-33-27-11-7-6-10-26(24)27/h3-17,20,28-29,33,37H,18-19H2,1-2H3,(H,32,38)(H,34,36)/b17-16-/t28-,29-/m0/s1
InChIKeyFDKBLSNCAOHWNC-ANVHOORDSA-N
Species of MetaboliteComponentSourceComments
Aspergillus flavus (ncbitaxon:5059) - PubMed (12546416)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Miyakamide B1 (CHEBI:203796) is a dipeptide (CHEBI:46761)
IUPAC Name 
(2S)-2-acetamido-3-(4-hydroxyphenyl)-N-[(2S)-1-[[(Z)-2-(1H-indol-3-yl)ethenyl]amino]-1-oxo-3-phenylpropan-2-yl]-N-methylpropanamide
Manual XrefsDatabases
8455288ChemSpider