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CHEBI:52063 - metampicillin sodium

ChEBI IDCHEBI:52063
ChEBI Namemetampicillin sodium
Stars
Last Modified5 March 2009
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC17H18N3O4S.Na
Net Charge0
Average Mass383.405
Monoisotopic Mass383.09157
SMILES[H][C@]12SC(C)(C)[C@H](C(=O)[O-])N1C(=O)[C@H]2NC(=O)[C@H](N=C)c1ccccc1.[Na+]
InChIInChI=1S/C17H19N3O4S.Na/c1-17(2)12(16(23)24)20-14(22)11(15(20)25-17)19-13(21)10(18-3)9-7-5-4-6-8-9;/h4-8,10-12,15H,3H2,1-2H3,(H,19,21)(H,23,24);/q;+1/p-1/t10-,11-,12+,15-;/m1./s1
InChIKeyCRTBAVDGJWEWNJ-GKANRWTBSA-M
ChEBI Ontology
Outgoing Relation(s)
metampicillin sodium (CHEBI:52063) has part metampicillin(1−) (CHEBI:52062)
metampicillin sodium (CHEBI:52063) is a organic sodium salt (CHEBI:38700)
IUPAC Name 
sodium 6β-[(2R)-2-(methylideneamino)-2-phenylacetamido]-2,2-dimethylpenam-3α-carboxylate
Synonyms  Source
sodium (2S,5R,6R)-3,3-dimethyl-6-{[(2R)-2-(methylideneamino)-2-phenylacetyl]amino}-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylateIUPAC
sodium 6β-[(2R)-2-(methylideneamino)-2-phenylacetamido]penicillanateChEBI
Manual XrefsDatabases
D08191KEGG DRUG