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CHEBI:52428 - phenethicillin(1−)

Default Structure
ChEBI IDCHEBI:52428
ChEBI Namephenethicillin(1−)
Stars
ASCII Namephenethicillin(1-)
Last Modified12 May 2009
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC17H19N2O5S
Net Charge-1
Average Mass363.415
Monoisotopic Mass363.10202
SMILES[H][C@]12SC(C)(C)[C@H](C(=O)[O-])N1C(=O)[C@H]2NC(=O)C(C)Oc1ccccc1
InChIInChI=1S/C17H20N2O5S/c1-9(24-10-7-5-4-6-8-10)13(20)18-11-14(21)19-12(16(22)23)17(2,3)25-15(11)19/h4-9,11-12,15H,1-3H3,(H,18,20)(H,22,23)/p-1/t9?,11-,12+,15-/m1/s1
InChIKeyNONJJLVGHLVQQM-JHXYUMNGSA-M
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)
phenethicillin(1−) (CHEBI:52428) is a penicillinate anion (CHEBI:51356)
phenethicillin(1−) (CHEBI:52428) is conjugate base of phenethicillin (CHEBI:52427)
Incoming Relation(s)
phenethicillin potassium (CHEBI:31987) has part phenethicillin(1−) (CHEBI:52428)
phenethicillin (CHEBI:52427) is conjugate acid of phenethicillin(1−) (CHEBI:52428)
IUPAC Name 
6β-(2-phenoxypropanamido)-2,2-dimethylpenam-3α-carboxylate
Synonyms  Source
(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenoxypropanoyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylateIUPAC
pheneticillin(1−)ChEBI
Registry NumbersSources
Beilstein:5405596Beilstein