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CHEBI:217954 - Violaceimide A

ChEBI IDCHEBI:217954
ChEBI NameViolaceimide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H17NO7S
Net Charge0
Average Mass319.335
Monoisotopic Mass319.07257
SMILESCOC(=O)[C@@H](CSC[C@H](O)C(=O)O)N1C(=O)C[C@@H](C)C1=O
InChIInChI=1S/C12H17NO7S/c1-6-3-9(15)13(10(6)16)7(12(19)20-2)4-21-5-8(14)11(17)18/h6-8,14H,3-5H2,1-2H3,(H,17,18)/t6-,7-,8+/m1/s1
InChIKeyKMOGJXSUBZHITP-PRJMDXOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus violaceus (ncbitaxon:41738) - DOI (10.1016/j.tetlet.2018.05.085)
ChEBI Ontology
Outgoing Relation(s)
Violaceimide A (CHEBI:217954) is a α-amino acid ester (CHEBI:46874)
IUPAC Name 
(2R)-2-hydroxy-3-[(2S)-3-methoxy-2-[(3R)-3-methyl-2,5-dioxopyrrolidin-1-yl]-3-oxopropyl]sulanylpropanoic acid
Manual XrefsDatabases
71048472ChemSpider