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CHEBI:52059 - hetacillin(1−)

ChEBI IDCHEBI:52059
ChEBI Namehetacillin(1−)
Stars
ASCII Namehetacillin(1-)
Last Modified5 March 2009
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC19H22N3O4S
Net Charge-1
Average Mass388.469
Monoisotopic Mass388.13365
SMILES[H][C@]12SC(C)(C)[C@H](C(=O)[O-])N1C(=O)[C@H]2N1C(=O)[C@@H](c2ccccc2)NC1(C)C
InChIInChI=1S/C19H23N3O4S/c1-18(2)13(17(25)26)21-15(24)12(16(21)27-18)22-14(23)11(20-19(22,3)4)10-8-6-5-7-9-10/h5-9,11-13,16,20H,1-4H3,(H,25,26)/p-1/t11-,12-,13+,16-/m1/s1
InChIKeyDXVUYOAEDJXBPY-NFFDBFGFSA-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)
hetacillin(1−) (CHEBI:52059) is a penicillinate anion (CHEBI:51356)
hetacillin(1−) (CHEBI:52059) is conjugate base of hetacillin (CHEBI:5683)
Incoming Relation(s)
hetacillin potassium (CHEBI:34789) has part hetacillin(1−) (CHEBI:52059)
hetacillin (CHEBI:5683) is conjugate acid of hetacillin(1−) (CHEBI:52059)
IUPAC Name 
6β-[(4R)-2,2-dimethyl-5-oxo-4-phenylimidazolidin-1-yl]-2,2-dimethylpenam-3α-carboxylate
Synonyms  Source
(2S,5R,6R)-6-[(4R)-2,2-dimethyl-5-oxo-4-phenylimidazolidin-1-yl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylateIUPAC
6β-[(4R)-2,2-dimethyl-5-oxo-4-phenylimidazolidin-1-yl]penicillanateChEBI
Registry NumbersSources
Beilstein:5405766Beilstein