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CHEBI:207754 - Waspergillamide B

ChEBI IDCHEBI:207754
ChEBI NameWaspergillamide B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26N4O8
Net Charge0
Average Mass450.448
Monoisotopic Mass450.17506
SMILESCC(C)C[C@]1(O)NC(=O)[C@@H](C(C)(C)OC(=O)CNC(=O)c2ccc([N+](=O)[O-])cc2)NC1=O
InChIInChI=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
InChIKeySEMSKEFCCXVCQD-MGPUTAFESA-N
Species of MetaboliteComponentSourceComments
Aspergillus ochraceus (ncbitaxon:40380) - PubMed (30717441)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
71120860ChemSpider