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CHEBI:139234 - benzylpenamaldate group

ChEBI IDCHEBI:139234
ChEBI Namebenzylpenamaldate group
Stars
DefinitionA penicillin-derived group resulting from cleavage of the β-lactam and thiazolidine ring systems of benzylpenicillin, enabling a new sulfur‒sulfur link to be made between the resulting thiol group and the thiol group of a protein cysteine residue.
Last Modified6 December 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC16H19N2O5S
Net Charge0
Average Mass351.404
Monoisotopic Mass351.10147
SMILES*SC(C)(C)C(/N=C/C(NC(=O)Cc1ccccc1)C(=O)O)C(=O)O
Roles Classification
Biological Role:
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.
ChEBI Ontology
Outgoing Relation(s)
benzylpenamaldate group (CHEBI:139234) has role epitope (CHEBI:53000)
benzylpenamaldate group (CHEBI:139234) is a penicillin-derived group (CHEBI:139226)
benzylpenamaldate group (CHEBI:139234) is substituent group from benzylpenicillin (CHEBI:18208)
IUPAC Name 
(1-carboxy-1-{(E)-[2-carboxy-2-(2-phenylacetamido)ethylidene]amino}-2-methylpropan-2-yl)sulfanyl
Synonyms  Source
penamaldate G groupChEBI
N-[(E)-2-carboxy-2-(phenylacetamido)ethylidene]cystein-S-ylChEBI
Citations