CHEBI:53702 - benzylpenicilloyl group

ChEBI IDCHEBI:53702
ChEBI Namebenzylpenicilloyl group
Stars
DefinitionA penicilloyl group formed from nucleophilic cleavage of the β-lactam ring of benzylpenicillin.
Last Modified29 March 2019
SubmitterSteve
DownloadsMolfile
FormulaC16H19N2O4S
Net Charge0
Average Mass335.405
Monoisotopic Mass335.10655
SMILES*C(=O)[C@@H](NC(=O)Cc1ccccc1)[C@]1([H])N[C@@H](C(=O)O)C(C)(C)S1
Roles Classification
Biological Roles:
epitope  The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
allergen  A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.
ChEBI Ontology
Outgoing Relation(s)
benzylpenicilloyl group (CHEBI:53702) has role antibacterial agent (CHEBI:33282)
benzylpenicilloyl group (CHEBI:53702) has role epitope (CHEBI:53000)
benzylpenicilloyl group (CHEBI:53702) is a penicilloyl group (CHEBI:88224)
benzylpenicilloyl group (CHEBI:53702) is a penicilloyl group allergen (CHEBI:88223)
benzylpenicilloyl group (CHEBI:53702) is a univalent carboacyl group (CHEBI:27207)
benzylpenicilloyl group (CHEBI:53702) is substituent group from benzylpenicillin (CHEBI:18208)
Incoming Relation(s)
benzylpenicilloyl-L-lysine (CHEBI:139367) has part benzylpenicilloyl group (CHEBI:53702)
benzylpenicilloyl-benzylamine (CHEBI:42719) has part benzylpenicilloyl group (CHEBI:53702)
IUPAC Name 
(2R)-2-[(2R,4S)-4-carboxy-5,5-dimethyl-1,3-thiazolidin-2-yl]-2-[(phenylacetyl)amino]acetyl
Synonyms  Source
benzylpenicilloylChEBI
BPOChEBI
penicilloyl GChEBI
Citations