CHEBI:206730 - Miyakamide A2

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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 A2
ChEBI ID CHEBI:206730
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C31H32N4O3
Net Charge 0
Average Mass 508.622
Monoisotopic Mass 508.24744
InChI InChI=1S/C31H32N4O3/c1-22(36)34-28(19-23-11-5-3-6-12-23)31(38)35(2)29(20-24-13-7-4-8-14-24)30(37)32-18-17-25-21-33-27-16-10-9-15-26(25)27/h3-18,21,28-29,33H,19-20H2,1-2H3,(H,32,37)(H,34,36)/b18-17+/t28-,29-/m0/s1
InChIKey NNICSBNBJLZHOU-LBBURDNXSA-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=CC=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 )
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ChEBI Ontology
Outgoing Miyakamide A2 (CHEBI:206730) is a dipeptide (CHEBI:46761)
IUPAC Name
(2S)-2-acetamido-N-[(2S)-1-[[(E)-2-(1H-indol-3-yl)ethenyl]amino]-1-oxo-3-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide
Manual Xref Database
9050142 ChemSpider
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