CHEBI:52063 - metampicillin sodium

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name metampicillin sodium
ChEBI ID CHEBI:52063
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formulae C17H18N3NaO4S
C17H18N3O4S.Na
Net Charge 0
Average Mass 383.39700
Monoisotopic Mass 383.09157
InChI InChI=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
InChIKey CRTBAVDGJWEWNJ-GKANRWTBSA-M
SMILES [Na+].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N=C)c1ccccc1)C([O-])=O
ChEBI Ontology
Outgoing 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 Sources
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-carboxylate IUPAC
sodium 6β-[(2R)-2-(methylideneamino)-2-phenylacetamido]penicillanate ChEBI
Manual Xref Database
D08191 KEGG DRUG
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Last Modified
05 March 2009