4-oxooxane-2-carboxylic acid (CED0199097)

Record Information
Version1.0
Creation Date2026-08-23 15:32:27 UTC
Update Date2026-08-23 15:32:27 UTC
Accession NumberCHEM235191
Identification
Common Name4-oxooxane-2-carboxylic acid
ClassSmall Molecule
Description
4-oxooxane-2-carboxylic acid belongs to the pyrans, a class of organoheterocyclic compounds within the organic compounds. This compound has the chemical formula C6H8O4 and an average molecular weight of 144.12 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC6H8O4
Average Molecular Mass144.120 g/mol
Monoisotopic Mass144.042 g/mol
CAS Registry Number5270-59-7
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C6H8O4/c7-4-1-2-10-5(3-4)6(8)9/h5H,1-3H2,(H,8,9)
InChI KeyBYCCHEBOFRPHMM-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
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 PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
2819.0Log mg/kg[1600:5000]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
620Card GamesRecreation & sports surfacesNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureBeta-lactamase GES-13D1MIX9Pseudomonas aeruginosaPredicted (SEA)1.24559
Click to view 3D structureGlutamate receptor 3P19492Rattus norvegicusPredicted (SEA)107.198
Metabotropic glutamate receptor 1 structureClick to view 3D structureMetabotropic glutamate receptor 1Q13255HumansPredicted (SEA)1497.27
Click to view 3D structureBeta-lactamase SHV-55Q4TVR4Klebsiella pneumoniaePredicted (SEA)0.622794
Click to view 3D structureExtended-spectrum beta-lactamase PER-6D5HSX5Aeromonas allosaccharophilaPredicted (SEA)0.856341
Click to view 3D structureADC-14 proteinQ0VTR6Acinetobacter genomosp. 3Predicted (SEA)0.856341
Click to view 3D structureBeta-lactamase SHV-11Q7X575Escherichia coliPredicted (SEA)0.856341
Click to view 3D structureADC-16 proteinQ0VTR8Acinetobacter genomosp. 3Predicted (SEA)0.856341
Click to view 3D structureBeta-lactamase bla(BEL1)Q3SAW3Pseudomonas aeruginosaPredicted (SEA)1.24559
Click to view 3D structureBeta-lactamaseA8RR46Bacillus clausiiPredicted (SEA)1.24559
Click to view 3D structureBeta-lactamaseD2SSQ3Pseudomonas aeruginosaPredicted (SEA)1.24559
Click to view 3D structureBeta-lactamase SCO-1A1E3K9Escherichia coliPredicted (SEA)1.24559
Metabotropic glutamate receptor 8 structureClick to view 3D structureMetabotropic glutamate receptor 8O00222HumansPredicted (SEA)244.135
Metabotropic glutamate receptor 2 structureClick to view 3D structureMetabotropic glutamate receptor 2Q14416HumansPredicted (SEA)1029.56
Click to view 3D structureClass D beta-lactamaseQ50H31Brachyspira pilosicoliPredicted (SEA)1.32344
Click to view 3D structureBeta-lactamaseQ670S6Pseudomonas luteolaPredicted (SEA)1.32344
Click to view 3D structureBeta-lactamase SHV-72A0ZX81Klebsiella pneumoniaePredicted (SEA)1.32344
Click to view 3D structureBeta-lactamase TEM-125Q6GWS8Escherichia coliPredicted (SEA)1.32344
Click to view 3D structureExtended-spectrum beta-lactamase CTX-M-53Q2XPY6Salmonella enterica subsp. enterica serovar WesthamptonPredicted (SEA)1.32344
Click to view 3D structureGil1A4KCT8Citrobacter gilleniiPredicted (SEA)1.32344
Beta-lactamase structureClick to view 3D structureBeta-lactamaseQ9EXV5Escherichia coliPredicted (SEA)1.32344
Click to view 3D structureFumarate hydratase, mitochondrialP10173Sus scrofaPredicted (SEA)0.778492
Ornithine aminotransferase, mitochondrial structureClick to view 3D structureOrnithine aminotransferase, mitochondrialP04181HumansPredicted (SEA)5.52729
Click to view 3D structureExoenzyme SQ93SQ1Pseudomonas aeruginosaPredicted (SEA)10.5096
Metabotropic glutamate receptor 5 structureClick to view 3D structureMetabotropic glutamate receptor 5P41594HumansPredicted (SEA)2092.51
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available