CHEBI:52429 - propicillin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name propicillin
ChEBI ID CHEBI:52429
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C18H22N2O5S
Net Charge 0
Average Mass 378.44300
Monoisotopic Mass 378.125
InChI InChI=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)/t11?,12-,13+,16-/m1/s1
InChIKey HOCWPKXKMNXINF-XQERAMJGSA-N
SMILES [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C(CC)Oc1ccccc1)C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
(via heterocyclic antibiotic )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing propicillin (CHEBI:52429) is a penicillin (CHEBI:17334)
propicillin (CHEBI:52429) is conjugate acid of propicillin(1−) (CHEBI:52435)
Incoming propicillin(1−) (CHEBI:52435) is conjugate base of propicillin (CHEBI:52429)
IUPAC Name
6β-(2-phenoxybutanamido)-2,2-dimethylpenam-3α-carboxylic acid
INNs Sources
propicilina ChemIDplus
propicillin ChemIDplus
propicillinum ChEBI
Synonyms Sources
(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenoxybutanoyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC
propicilline ChemIDplus
Manual Xrefs Databases
2297 DrugCentral
GB877120 Patent
View more database links
Registry Numbers Types Sources
1092883 Beilstein Registry Number Beilstein
551-27-9 CAS Registry Number ChemIDplus
Last Modified
22 February 2017