Waspergillamide A (CHEBI:207277)

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CHEBI:207277 - Waspergillamide A

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ChEBI ID	CHEBI:207277
ChEBI Name	Waspergillamide A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C20H24N4O7
Net Charge	0
Average Mass	432.433
Monoisotopic Mass	432.16450
SMILES	CC(C)/C=C1\NC(=O)[C@H](C(C)(C)OC(=O)CNC(=O)c2ccc([N+](=O)[O-])cc2)NC1=O
InChI	InChI=1S/C20H24N4O7/c1-11(2)9-14-18(27)23-16(19(28)22-14)20(3,4)31-15(25)10-21-17(26)12-5-7-13(8-6-12)24(29)30/h5-9,11,16H,10H2,1-4H3,(H,21,26)(H,22,28)(H,23,27)/b14-9-/t16-/m1/s1
InChIKey	NGYXELRSFHCDBD-IHWMJMDHSA-N

Species of Metabolite	Component	Source	Comments
Aspergillus (ncbitaxon:5052)	-	PubMed (28234476)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	Waspergillamide A (CHEBI:207277) is a N-acylglycine (CHEBI:16180)

IUPAC Name
2-[(2S,5Z)-5-(2-methylpropylidene)-3,6-dioxopiperazin-2-yl]propan-2-yl 2-[(4-nitrobenzoyl)amino]acetate

Manual Xrefs	Databases
78440553	ChemSpider