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CHEBI:52436 - sulbenicillin(2−)

ChEBI IDCHEBI:52436
ChEBI Namesulbenicillin(2−)
Stars
ASCII Namesulbenicillin(2-)
Last Modified14 May 2009
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC16H16N2O7S2
Net Charge-2
Average Mass412.445
Monoisotopic Mass412.04099
SMILES[H][C@]12SC(C)(C)[C@H](C(=O)[O-])N1C(=O)[C@H]2NC(=O)C(c1ccccc1)S(=O)(=O)[O-]
InChIInChI=1S/C16H18N2O7S2/c1-16(2)11(15(21)22)18-13(20)9(14(18)26-16)17-12(19)10(27(23,24)25)8-6-4-3-5-7-8/h3-7,9-11,14H,1-2H3,(H,17,19)(H,21,22)(H,23,24,25)/p-2/t9-,10?,11+,14-/m1/s1
InChIKeyJETQIUPBHQNHNZ-OAYJICASSA-L
Roles Classification
Biological Role:
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
ChEBI Ontology
Outgoing Relation(s)
sulbenicillin(2−) (CHEBI:52436) is a penicillinate anion (CHEBI:51356)
sulbenicillin(2−) (CHEBI:52436) is conjugate base of sulbenicillin (CHEBI:9322)
Incoming Relation(s)
sulbenicillin disodium (CHEBI:32160) has part sulbenicillin(2−) (CHEBI:52436)
sulbenicillin (CHEBI:9322) is conjugate acid of sulbenicillin(2−) (CHEBI:52436)
IUPAC Name 
6β-[phenyl(sulfonato)acetamido]-2,2-dimethylpenam-3α-carboxylate
Synonym  Source
(2S,5R,6R)-3,3-dimethyl-7-oxo-6-{[phenyl(sulfo)acetyl]amino}-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylateIUPAC
Registry NumbersSources
Beilstein:5396701Beilstein