CHEBI:61217 - monosodium benzylpenicilloate

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ChEBI Name monosodium benzylpenicilloate ChEBI ID CHEBI:61217 Definition An organic sodium salt having benzylpenicilloate as the counterion. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C16H19N2NaO5S Net Charge 0 Average Mass 374.38700 Monoisotopic Mass 374.09124 InChI InChI=1S/C16H20N2O5S.Na/c1-16(2)12(15(22)23)18-13(24-16)11(14(20)21)17-10(19)8-9-6-4-3-5-7-9;/h3-7,11-13,18H,8H2,1-2H3,(H,17,19)(H,20,21)(H,22,23);/q;+1/p-1/t11-,12-,13+;/m0./s1 InChIKey UFLWEQBVKFKCSB-GRMSKOJTSA-M SMILES [Na+].[H][C@]1([NH2+][C@@H](C([O-])=O)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C([O-])=O ChEBI Ontology Outgoing monosodium benzylpenicilloate (CHEBI:61217) has part benzylpenicilloate(1−) (CHEBI:61220) monosodium benzylpenicilloate (CHEBI:61217) is a organic sodium salt (CHEBI:38700) IUPAC Name sodium (2R,4S)-2-{(R)-carboxylato[(phenylacetyl)amino]methyl}-5,5-dimethyl-1,3-thiazolidin-3-ium-4-carboxylate Synonym Source monosodium D-α-benzylpenicilloate ChEBI Citation Type Source 13761469 PubMed citation Europe PMC Last Modified 04 February 2011