CHEBI:51354 - benzylpenicillin(1−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name benzylpenicillin(1−)
ChEBI ID CHEBI:51354
ChEBI ASCII Name benzylpenicillin(1-)
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C16H17N2O4S
Net Charge -1
Average Mass 333.38326
Monoisotopic Mass 333.09145
InChI InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/p-1/t11-,12+,14-/m1/s1
InChIKey JGSARLDLIJGVTE-MBNYWOFBSA-M
SMILES [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)Cc1ccccc1)C([O-])=O
Roles Classification
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 benzylpenicillin(1−) (CHEBI:51354) is a penicillinate anion (CHEBI:51356)
benzylpenicillin(1−) (CHEBI:51354) is conjugate base of benzylpenicillin (CHEBI:18208)
Incoming benzylpenicillin benethamine (CHEBI:52151) has part benzylpenicillin(1−) (CHEBI:51354)
benzylpenicillin benzathine (CHEBI:51352) has part benzylpenicillin(1−) (CHEBI:51354)
benzylpenicillin clemizole (CHEBI:52139) has part benzylpenicillin(1−) (CHEBI:51354)
benzylpenicillin potassium (CHEBI:7963) has part benzylpenicillin(1−) (CHEBI:51354)
benzylpenicillin procaine (CHEBI:52154) has part benzylpenicillin(1−) (CHEBI:51354)
benzylpenicillin sodium (CHEBI:51765) has part benzylpenicillin(1−) (CHEBI:51354)
benzylpenicillin (CHEBI:18208) is conjugate acid of benzylpenicillin(1−) (CHEBI:51354)
IUPAC Name
2,2-dimethyl-6β-(phenylacetamido)penam-3α-carboxylate
Synonyms Sources
(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate IUPAC
penicillin G UniProt
Registry Number Type Source
3915298 Beilstein Registry Number Beilstein
Last Modified
13 November 2017