CHEBI:139234 - benzylpenamaldate group

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name benzylpenamaldate group
ChEBI ID CHEBI:139234
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Download Molfile XML SDF
Formula C16H19N2O5S
Net Charge 0
Average Mass 351.399
Monoisotopic Mass 351.10147
SMILES C=1C(=CC=CC1)CC(NC(/C=N/C(C(S*)(C)C)C(=O)O)C(=O)O)=O
Roles Classification
Biological Role(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
N-[(E)-2-carboxy-2-(phenylacetamido)ethylidene]cystein-S-yl ChEBI
penamaldate G group ChEBI
Citation Waiting for Citations Type Source
28987997 PubMed citation Europe PMC
Last Modified
06 December 2017