CHEBI:50658 - ampicillin(1−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name ampicillin(1−)
ChEBI ID CHEBI:50658
ChEBI ASCII Name ampicillin(1-)
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C16H18N3O4S
Net Charge -1
Average Mass 348.39794
Monoisotopic Mass 348.10235
InChI InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/p-1/t9-,10-,11+,14-/m1/s1
InChIKey AVKUERGKIZMTKX-NJBDSQKTSA-M
SMILES [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)c1ccccc1)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 ampicillin(1−) (CHEBI:50658) is a penicillinate anion (CHEBI:51356)
ampicillin(1−) (CHEBI:50658) is conjugate base of ampicillin (CHEBI:28971)
Incoming ampicillin benzathine (CHEBI:51343) has part ampicillin(1−) (CHEBI:50658)
ampicillin potassium (CHEBI:51342) has part ampicillin(1−) (CHEBI:50658)
ampicillin sodium (CHEBI:34535) has part ampicillin(1−) (CHEBI:50658)
ampicillin (CHEBI:28971) is conjugate acid of ampicillin(1−) (CHEBI:50658)
IUPAC Name
6β-[(2R)-2-amino-2-phenylacetamido]-2,2-dimethylpenam-3α-carboxylate
Synonyms Sources
(2S,5R,6R)-6-{[(2R)-2-amino-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate IUPAC
ampicillinate ChEBI
Last Modified
03 February 2009