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CHEBI:61217 - monosodium benzylpenicilloate

ChEBI IDCHEBI:61217
ChEBI Namemonosodium benzylpenicilloate
Stars
DefinitionAn organic sodium salt having benzylpenicilloate as the counterion.
Last Modified4 February 2011
SubmitterSteve
DownloadsMolfile
FormulaC16H19N2O5S.Na
Net Charge0
Average Mass374.394
Monoisotopic Mass374.09124
SMILES[H][C@@]1([C@H](NC(=O)Cc2ccccc2)C(=O)[O-])[NH2+][C@@H](C(=O)[O-])C(C)(C)S1.[Na+]
InChIInChI=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
InChIKeyUFLWEQBVKFKCSB-GRMSKOJTSA-M
ChEBI Ontology
Outgoing Relation(s)
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-benzylpenicilloateChEBI
Citations