CHEBI:207754 - Waspergillamide B

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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 Waspergillamide B
ChEBI ID CHEBI:207754
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H26N4O8
Net Charge 0
Average Mass 450.448
Monoisotopic Mass 450.17506
InChI InChI=1S/C20H26N4O8/c1-11(2)9-20(29)18(28)22-15(17(27)23-20)19(3,4)32-14(25)10-21-16(26)12-5-7-13(8-6-12)24(30)31/h5-8,11,15,29H,9-10H2,1-4H3,(H,21,26)(H,22,28)(H,23,27)/t15-,20+/m0/s1
InChIKey SEMSKEFCCXVCQD-MGPUTAFESA-N
SMILES O=[N+]([O-])C1=CC=C(C(=O)NCC(=O)OC([C@H]2NC(=O)[C@](O)(CC(C)C)NC2=O)(C)C)C=C1
Metabolite of Species Details
Aspergillus ochraceus (NCBI:txid40380) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Waspergillamide B (CHEBI:207754) is a N-acylglycine (CHEBI:16180)
IUPAC Name
2-[(2R,5R)-5-hydroxy-5-(2-methylpropyl)-3,6-dioxopiperazin-2-yl]propan-2-yl 2-[(4-nitrobenzoyl)amino]acetate
Manual Xref Database
71120860 ChemSpider
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