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CHEBI:133976 - sodium amoxicilloyl group

ChEBI IDCHEBI:133976
ChEBI Namesodium amoxicilloyl group
Stars
DefinitionA univalent carboacyl group formed by loss of OH from the β-lactam-derived carboxy group of sodium amoxicilloate. The free valence at the acetyl group may form an amide linkage to the primary amino group of a protein carrier [e.g. human serum albumin (HSA)].
Last Modified17 November 2016
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC16H19N3O5S.Na
Net Charge0
Average Mass388.401
Monoisotopic Mass388.09431
SMILES*C(=O)[C@@H](NC(=O)[C@H](N)c1ccc(O)cc1)[C@]1([H])N[C@@H](C(=O)[O-])C(C)(C)S1.[Na+]
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)
sodium amoxicilloyl group (CHEBI:133976) has role epitope (CHEBI:53000)
sodium amoxicilloyl group (CHEBI:133976) is a univalent carboacyl group (CHEBI:27207)
IUPAC Name 
sodium (2R)-2-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-2-[(2R,4S)-4-carboxylato-5,5-dimethyl-1,3-thiazolidin-2-yl]acetyl
Synonyms  Source
sodium (2R)-2-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-2-[(2R,4S)-4-carboxylato-5,5-dimethyl-1,3-thiazolidin-2-yl]acetyl groupChEBI
AXO groupChEBI
AXO antigenic determinantChEBI
AXO determinantChEBI
Citations