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CHEBI:63404 - allylmercaptomethylpenicilloyl group

ChEBI IDCHEBI:63404
ChEBI Nameallylmercaptomethylpenicilloyl group
Stars
DefinitionAn organyl group formed from nucleophilic cleavage of the β-lactam ring of penicillin O.
Last Modified29 March 2019
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC13H19N2O4S2
Net Charge0
Average Mass331.439
Monoisotopic Mass331.07862
SMILES*C(=O)[C@@H](NC(=O)CSCC=C)[C@]1([H])N[C@@H](C(=O)O)C(C)(C)S1
Roles Classification
Biological Role:
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
ChEBI Ontology
Outgoing Relation(s)
allylmercaptomethylpenicilloyl group (CHEBI:63404) has functional parent penicillin O (CHEBI:51207)
allylmercaptomethylpenicilloyl group (CHEBI:63404) has role antibacterial agent (CHEBI:33282)
allylmercaptomethylpenicilloyl group (CHEBI:63404) is a organyl group (CHEBI:33249)
IUPAC Name 
(2R)-2-[(2R,4S)-4-carboxy-5,5-dimethyl-1,3-thiazolidin-2-yl]-2-{[(prop-2-en-1-ylsulfanyl)acetyl]amino}acetyl
Synonym  Source
AMMPOChEBI
Citations