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CHEBI:52435 - propicillin(1−)

ChEBI IDCHEBI:52435
ChEBI Namepropicillin(1−)
Stars
ASCII Namepropicillin(1-)
Last Modified14 May 2009
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC18H21N2O5S
Net Charge-1
Average Mass377.442
Monoisotopic Mass377.11767
SMILES[H][C@]12SC(C)(C)[C@H](C(=O)[O-])N1C(=O)[C@H]2NC(=O)C(CC)Oc1ccccc1
InChIInChI=1S/C18H22N2O5S/c1-4-11(25-10-8-6-5-7-9-10)14(21)19-12-15(22)20-13(17(23)24)18(2,3)26-16(12)20/h5-9,11-13,16H,4H2,1-3H3,(H,19,21)(H,23,24)/p-1/t11?,12-,13+,16-/m1/s1
InChIKeyHOCWPKXKMNXINF-XQERAMJGSA-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)
propicillin(1−) (CHEBI:52435) is a penicillinate anion (CHEBI:51356)
propicillin(1−) (CHEBI:52435) is conjugate base of propicillin (CHEBI:52429)
Incoming Relation(s)
propicillin potassium (CHEBI:32062) has part propicillin(1−) (CHEBI:52435)
propicillin (CHEBI:52429) is conjugate acid of propicillin(1−) (CHEBI:52435)
IUPAC Name 
6β-(2-phenoxybutanamido)-2,2-dimethylpenam-3α-carboxylate
Synonym  Source
(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenoxybutanoyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylateIUPAC
Registry NumbersSources
Beilstein:5405732Beilstein