CHEBI:203796 - Miyakamide B1

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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 Miyakamide B1
ChEBI ID CHEBI:203796
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C31H32N4O4
Net Charge 0
Average Mass 524.621
Monoisotopic Mass 524.24236
InChI InChI=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
InChIKey FDKBLSNCAOHWNC-ANVHOORDSA-N
SMILES O=C(N([C@H](C(=O)N/C=C\C=1C2=C(C=CC=C2)NC1)CC3=CC=CC=C3)C)[C@@H](NC(=O)C)CC4=CC=C(O)C=C4
Metabolite of Species Details
Aspergillus flavus (NCBI:txid5059) 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 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 Xref Database
8455288 ChemSpider
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