Tazobactam (CED0001445)

Record Information
Version1.0
Creation Date2016-05-25 18:28:11 UTC
Update Date2026-08-17 23:40:18 UTC
SynCED IDCED0001445
Secondary Accession Numbers
  • CHEM022321
Identification
Common NameTazobactam
ClassSmall Molecule
Description
Tazobactam is an organic compound with the formula C10H12N4O5S and an average molecular weight of 300.29 g/mol. Tazobactam belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. The compound acts as an inhibitor for four recorded protein targets: Beta-lactamase TEM (bla), Beta-lactamase Ohio-1, Beta-lactamase SHV-1 (bla), and Beta-lactamase (blaZ). Exposure to Tazobactam can occur through oral, intravenous, parenteral, and inhalation routes. Tazobactam is found in or released from nine recorded sources. These include healthcare, pharmaceuticals, and veterinary products, specifically antibiotics and penicillins. It is also associated with food, food processing, and cookware, specifically the processing of meats, as well as drinking water and water supply. Additionally, the compound is found in household cleaning and consumer products, such as other smoking requisites and non-electric simulated smoking devices, and in electrical and electronic equipment, including video games, amplifiers, and television systems.
Contaminant TypeNot Available
Chemical Structure
Synonyms
ValueSource
(2S,3S,5S)-3-Methyl-7-oxo-3-(1H-1,2,3-triazol-1-ylmethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4,4-dioxideChEBI
TazobactamumChEBI
(2S,3S,5S)-3-Methyl-7-oxo-3-(1H-1,2,3-triazol-1-ylmethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4,4-dioxideGenerator
YTR 830HMDB
YTR 830HHMDB
Taszobactam sodiumHMDB
YTR-830HMDB
Tazobactam sodiumHMDB
Chemical FormulaC10H12N4O5S
Average Molecular Mass300.291 g/mol
Monoisotopic Mass300.053 g/mol
CAS Registry Number89786-04-9
IUPAC Name(2S,3S,5R)-3-methyl-4,4,7-trioxo-3-(1H-1,2,3-triazol-1-ylmethyl)-4λ⁶-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Traditional Nametazobactam
SMILES[H][C@@]12CC(=O)N1[C@@H](C(O)=O)[C@](C)(CN1C=CN=N1)S2(=O)=O
InChI IdentifierInChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1
InChI KeyLPQZKKCYTLCDGQ-WEDXCCLWSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentAlpha amino acids and derivatives
Alternative Parents
Substituents
  • Alpha-amino acid or derivatives
  • Penam
  • Azole
  • Beta-lactam
  • Sulfone
  • Heteroaromatic compound
  • Tertiary carboxylic acid amide
  • Thiazolidine
  • 1,2,3-triazole
  • Azetidine
  • Carboxamide group
  • Lactam
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Azacycle
  • Organoheterocyclic compound
  • Organic oxide
  • Organooxygen compound
  • Organonitrogen compound
  • Organic nitrogen compound
  • Carbonyl group
  • Organopnictogen compound
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility9.59 g/LALOGPS
logP-1.8ALOGPS
logP-1.4ChemAxon
logS-1.5ALOGPS
pKa (Strongest Acidic)2.86ChemAxon
pKa (Strongest Basic)0.73ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area122.46 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity74.82 m³·mol⁻¹ChemAxon
Polarizability26.22 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted GC-MSPredicted GC-MS Spectrumsplash10-05ox-9600000000-54f1ff15fea55805a4c4Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS Spectrumsplash10-05fr-9621000000-bc21d0c2147bde679308Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-052f-9080000000-84419d5374d8976b5452Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-001i-1091000000-e00f9ea85b1daaf20953Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-052f-9370000000-2e9deb92fe8e2364417aNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-02t9-9150000000-d4179daa6a2c7403e1e6Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0159-9380000000-ae0f16462e209d76b09bNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014i-9400000000-53574c9e07bfecfd0557Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udi-0009000000-cd3974a969892a0d31ecNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0f89-0296000000-accfd76853382214bf80Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00e9-9450000000-903c2a70a69c1bff073bNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000i-0390000000-bf435ddd2d1226abb908Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014i-9410000000-301533f79e25176c9d2dNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014i-9040000000-4a211a9ffb9467a22edcNot AvailableView Spectrum
1D NMR1H NMR Spectrum (1D, D2O, predicted)Not AvailableNot AvailableView Spectrum
1D NMR13C NMR Spectrum (1D, D2O, predicted)Not AvailableNot AvailableView Spectrum
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
5139.0 Log mg/kg [2900:9100]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000070Stormwater runoff?Stormwater runoff refers to the flow of rainwater or melted snow that does not soak into the ground and instead collects pollutants as it travels over impervious surfaces such as roads and parking lots.Automotive & urban infrastructureNot Available
CEDs000115Drinking water?Drinking water can be a medium for synthetic chemical contamination, often originating from various industrial processes and agricultural practices.Drinking water & water supplyNot Available
CEDs000306Antibiotics?Antibiotics are synthetic or semi-synthetic compounds used to treat bacterial infections in humans and animals.Healthcare, pharmaceuticals & veterinary productsNot Available
CEDs000340Penicillins?Penicillins are a group of β-lactam antibiotics derived from Penicillium fungi, widely used to treat bacterial infections in humans and animals.Healthcare, pharmaceuticals & veterinary productsNot Available
CEDs000505Amplifiers?Amplifiers, commonly used in various electronic devices to enhance signal strength, can be a source of synthetic chemical contamination due to the materials and processes involved in their production and disposal.Electrical & Electronic EquipmentNot Available
CEDs000518Electrically Stimulated Smoking Devices?Electrically stimulated smoking devices, commonly known as e-cigarettes or vape pens, utilize electrical components to heat a liquid solution, often containing nicotine, flavorings, and other additives, to produce an aerosol for inhalation.Electrical & Electronic EquipmentNot Available
CEDs000537Television Systems?Television systems can be a source of synthetic chemical contamination due to the various materials and components used in their manufacture and operation.Electrical & Electronic EquipmentNot Available
CEDs000539Video Games?Video games, through their production and disposal processes, can be a source of synthetic chemical contamination.Electrical & Electronic EquipmentNot Available
CEDs000545Food Preservation?Food preservation often involves the use of synthetic chemicals, such as preservatives, flavor enhancers, and color additives, to extend shelf life and enhance the sensory qualities of food products.Food, food processing & cookwareNot Available
CEDs000552Processing Meats?Processing meats can lead to synthetic chemical contamination primarily through the use of additives and preservatives.Food, food processing & cookwareNot Available
CEDs000559Non Electric Simulated Smoking Devices?Non-electric simulated smoking devices, often designed to mimic the experience of smoking without combustion, can be sources of synthetic chemical contamination due to the materials and chemicals used in their construction and operation.Household cleaning & consumer productsNot Available
CEDs000560Other Smoking Requisites?Other smoking requisites, including items such as lighters, matches, and rolling papers, can introduce synthetic chemical contamination through various components and additives.Household cleaning & consumer productsNot Available
CEDs000569Tobacco Smoke Filters?Tobacco smoke filters are designed to reduce the inhalation of harmful substances in cigarette smoke, including tar and other particulate matter.Household cleaning & consumer productsNot Available
CEDs000580Manufacture Preparation Of Tobacco Products?The manufacture and preparation of tobacco products involve various processes that can result in the introduction of synthetic chemicals into the environment.Industrial manufacturing & chemical processingNot Available
CEDs000600Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.Agriculture & land managementNot Available
CEDs000605Pest Repellants?Pest repellents, often formulated from synthetic chemicals, are widely used to protect crops from insect infestations and other pests.Agriculture & land managementNot Available
CEDs000606Plant Growth Regulators?Plant Growth Regulators (PGRs) are synthetic chemicals designed to influence the growth and development of plants.Agriculture & land managementNot Available
CEDs000610Aftersun Products?Aftersun products are designed to soothe and hydrate the skin after sun exposure, often containing various synthetic chemicals such as emollients, preservatives, and fragrances.Personal care & cosmeticsNot Available
CEDs000611Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.Personal care & cosmeticsNot Available
CEDs000615Eye Makeup Products?Eye makeup products, including mascaras, eyeliners, and eyeshadows, often contain a variety of synthetic chemicals such as pigments, preservatives, and film-forming agents.Personal care & cosmeticsNot Available
CEDs000617Lip Care Products?Lip care products, including lipsticks, balms, and glosses, often contain a variety of synthetic chemicals such as parabens, phthalates, and synthetic fragrances.Personal care & cosmeticsNot Available
CEDs000618Lip Makeup Products?Lip makeup products, such as lipsticks, lip glosses, and lip liners, often contain a variety of synthetic chemicals, including pigments, preservatives, and emollients.Personal care & cosmeticsNot Available
CEDs000632Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.Textiles, leather & furnishingsNot Available
CEDs000643Headwear?Headwear made from synthetic materials often incorporates chemicals used in the manufacturing and finishing processes, such as dyes, flame retardants, and water repellents.Textiles, leather & furnishingsNot Available
CEDs000688Glass Coatings?Glass coatings are synthetic chemical formulations applied to glass surfaces to enhance properties such as durability, UV resistance, and aesthetic appeal.Building & ConstructionNot Available
CEDs000693Silica Glass?Silica glass, primarily composed of silicon dioxide (SiO2), is widely used in various applications, including windows, glass facades, and insulation materials.Building & ConstructionNot Available
CEDs000696Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.Industrial manufacturing & chemical processingNot Available
CEDs000734Coating Compositions?Coating compositions, which include paints, sealants, and varnishes, are formulated with a variety of synthetic chemicals such as solvents, resins, pigments, and additives.Building & ConstructionNot Available
CEDs000744Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.Wastewater, sanitation & biosolidsNot Available
Pathways
1 pathwayPathway Source: PathBank
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structurePenB class A beta-lactamaseB8R6A5Burkholderia cenocepaciaPredicted (SEA)
Prediction Confidence Score
1.0
Applicability Domain
1.0
Statistical Significance
1.00e-05
Supporting Reference Compounds
1
E-value
0.0778492
Click to view 3D structureBeta-lactamaseP94958Morganella morganiiPredicted (SEA)
Prediction Confidence Score
1.0
Applicability Domain
1.0
Statistical Significance
1.00e-05
Supporting Reference Compounds
1
E-value
0.0778492
Carbapenem-hydrolizing beta-lactamase SFC-1 structureClick to view 3D structureCarbapenem-hydrolizing beta-lactamase SFC-1Q6JP75Serratia fonticolaPredicted (SEA)
Prediction Confidence Score
1.0
Applicability Domain
1.0
Statistical Significance
1.00e-05
Supporting Reference Compounds
1
E-value
0.0778492
Beta-lactamase structureClick to view 3D structureBeta-lactamaseP05364Enterobacter cloacaePredicted (SEA)
Prediction Confidence Score
0.659
Applicability Domain
1.0
Statistical Significance
2.00e-05
Supporting Reference Compounds
22
E-value
0.155698
Beta-lactamase TEM structureClick to view 3D structureBeta-lactamase TEMP62593Escherichia coliPredicted (SEA)
Prediction Confidence Score
0.644
Applicability Domain
1.0
Statistical Significance
2.00e-05
Supporting Reference Compounds
22
E-value
0.155698
Beta-lactamase structureClick to view 3D structureBeta-lactamaseP00807Staphylococcus aureusPredicted (SEA)
Prediction Confidence Score
0.644
Applicability Domain
1.0
Statistical Significance
2.00e-05
Supporting Reference Compounds
10
E-value
0.155698
Click to view 3D structureClass D beta-lactamaseQ50H31Brachyspira pilosicoliPredicted (SEA)
Prediction Confidence Score
0.619
Applicability Domain
1.0
Statistical Significance
1.00e-05
Supporting Reference Compounds
2
E-value
0.0778492
Click to view 3D structureBeta-lactamaseQ670S6Pseudomonas luteolaPredicted (SEA)
Prediction Confidence Score
0.619
Applicability Domain
1.0
Statistical Significance
1.00e-05
Supporting Reference Compounds
2
E-value
0.0778492
Click to view 3D structureBeta-lactamase SHV-72A0ZX81Klebsiella pneumoniaePredicted (SEA)
Prediction Confidence Score
0.619
Applicability Domain
1.0
Statistical Significance
1.00e-05
Supporting Reference Compounds
2
E-value
0.0778492
Click to view 3D structureBeta-lactamase TEM-125Q6GWS8Escherichia coliPredicted (SEA)
Prediction Confidence Score
0.619
Applicability Domain
1.0
Statistical Significance
1.00e-05
Supporting Reference Compounds
2
E-value
0.0778492
Click to view 3D structureExtended-spectrum beta-lactamase CTX-M-53Q2XPY6Salmonella enterica subsp. enterica serovar WesthamptonPredicted (SEA)
Prediction Confidence Score
0.619
Applicability Domain
1.0
Statistical Significance
1.00e-05
Supporting Reference Compounds
2
E-value
0.0778492
Click to view 3D structureGil1A4KCT8Citrobacter gilleniiPredicted (SEA)
Prediction Confidence Score
0.619
Applicability Domain
1.0
Statistical Significance
1.00e-05
Supporting Reference Compounds
2
E-value
0.0778492
Beta-lactamase structureClick to view 3D structureBeta-lactamaseQ9EXV5Escherichia coliPredicted (SEA)
Prediction Confidence Score
0.619
Applicability Domain
1.0
Statistical Significance
1.00e-05
Supporting Reference Compounds
2
E-value
0.0778492
Beta-lactamase bla(BEL1) structureClick to view 3D structureBeta-lactamase bla(BEL1)Q3SAW3Pseudomonas aeruginosaPredicted (SEA)
Prediction Confidence Score
0.593
Applicability Domain
1.0
Statistical Significance
1.00e-05
Supporting Reference Compounds
3
E-value
0.0778492
Click to view 3D structureBeta-lactamaseA8RR46Bacillus clausiiPredicted (SEA)
Prediction Confidence Score
0.593
Applicability Domain
1.0
Statistical Significance
1.00e-05
Supporting Reference Compounds
3
E-value
0.0778492
Click to view 3D structureBeta-lactamaseD2SSQ3Pseudomonas aeruginosaPredicted (SEA)
Prediction Confidence Score
0.593
Applicability Domain
1.0
Statistical Significance
1.00e-05
Supporting Reference Compounds
3
E-value
0.0778492
Click to view 3D structureBeta-lactamase SCO-1A1E3K9Escherichia coliPredicted (SEA)
Prediction Confidence Score
0.593
Applicability Domain
1.0
Statistical Significance
1.00e-05
Supporting Reference Compounds
3
E-value
0.0778492
Beta-lactamase structureClick to view 3D structureBeta-lactamaseP00811Escherichia coli (strain K12)Predicted (SEA)
Prediction Confidence Score
0.573
Applicability Domain
1.0
Statistical Significance
2.00e-05
Supporting Reference Compounds
35
E-value
0.155698
Click to view 3D structureExtended-spectrum beta-lactamase PER-6D5HSX5Aeromonas allosaccharophilaPredicted (SEA)
Prediction Confidence Score
0.542
Applicability Domain
0.542
Statistical Significance
2.00e-05
Supporting Reference Compounds
1
E-value
0.155698
Click to view 3D structureADC-14 proteinQ0VTR6Acinetobacter genomosp. 3Predicted (SEA)
Prediction Confidence Score
0.542
Applicability Domain
0.542
Statistical Significance
2.00e-05
Supporting Reference Compounds
1
E-value
0.155698
Click to view 3D structureBeta-lactamase SHV-11Q7X575Escherichia coliPredicted (SEA)
Prediction Confidence Score
0.542
Applicability Domain
0.542
Statistical Significance
2.00e-05
Supporting Reference Compounds
1
E-value
0.155698
Click to view 3D structureADC-16 proteinQ0VTR8Acinetobacter genomosp. 3Predicted (SEA)
Prediction Confidence Score
0.542
Applicability Domain
0.542
Statistical Significance
2.00e-05
Supporting Reference Compounds
1
E-value
0.155698
Beta-lactamase structureClick to view 3D structureBeta-lactamaseP00808Bacillus licheniformisPredicted (SEA)
Prediction Confidence Score
0.526
Applicability Domain
1.0
Statistical Significance
3.00e-05
Supporting Reference Compounds
6
E-value
0.233548
Beta-lactamase structureClick to view 3D structureBeta-lactamaseP05193Citrobacter freundiiPredicted (SEA)
Prediction Confidence Score
0.523
Applicability Domain
1.0
Statistical Significance
2.00e-05
Supporting Reference Compounds
6
E-value
0.155698
Beta-lactamase SHV-1 structureClick to view 3D structureBeta-lactamase SHV-1P0AD64Klebsiella pneumoniaePredicted (SEA)
Prediction Confidence Score
0.494
Applicability Domain
1.0
Statistical Significance
1.00e-05
Supporting Reference Compounds
3
E-value
0.0778492
Concentrations
Not Available
External Links
DrugBank IDDB01606
HMDB IDHMDB0015544
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkTazobactam
Chemspider ID110216
ChEBI ID9421
PubChem Compound ID123630
Kegg Compound IDC07771
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available