CLAVULANIC ACID
(2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Molecular Identity
CLAVULANIC ACID
(2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
PubChem CID: 5280980
Clavulanic acid is antibiotic isolated from Streptomyces clavuligerus. It acts as a suicide inhibitor of bacterial beta-lactamase enzymes. It has a role as an anxiolytic drug, an EC 3.5.2.6 (beta-lactamase) inhibitor, an antibacterial drug and a bacterial metabolite. It is a conjugate acid of a clavulanate.
2D Structure
Properties
C8H9NO5
Molecular Formula
199.16
Molecular Weight
g/mol
199.0481
Exact Mass
Da
-1.2
XLogP
Drug-like (Lipinski: < 5)
87.1
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
5
H-Bond Acceptors
324
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
CLAVULANIC ACID58001-44-8Acido clavulanicoAcide clavulaniqueAntibiotic MM 14151acidum clavulanicumClavulansaeure(2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acidMM 14151BRL-14151SerdaxinBRL 14151rx-10100(Z)-(2R,5R)-3-(2-Hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo(3.2.0)heptane-2-carboxylic acidCHEBI:48947
Data from PubChem (NCBI)
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Trials and conditions connected to CLAVULANIC ACID
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