(-)-Allantoin (CED0003493)

Record Information
Version1.0
Creation Date2026-04-06 04:17:01 UTC
Update Date2026-04-06 04:17:01 UTC
Accession NumberCHEM117452
Identification
Common Name(-)-Allantoin
ClassSmall Molecule
Description
(-)-Allantoin is an organic compound with the chemical formula C4H6N4O3 and an average molecular weight of 158.12 g/mol. (-)-Allantoin belongs to the imidazolidines, a subclass of azolidines within the organic compounds. It is further classified under the superclass of organoheterocyclic compounds. The substance has been identified in or released from nine recorded sources across various categories. Within household cleaning and consumer products, it is associated with soap dispensers, pipe accessories, other smoking requisites, and non-electric simulated smoking devices. In the sector of electrical and electronic equipment, it is found in antennas, amplifiers, and communication cables or conductors. Additionally, it is linked to food, food processing, and cookware, specifically in the preparation of wine or sparkling wine and the preparation of vinegar.
Contaminant TypeNot Available
Chemical Structure
SynonymsNot Available
Chemical FormulaC4H6N4O3
Average Molecular Mass158.117 g/mol
Monoisotopic Mass158.044 g/mol
CAS Registry Number7303-80-2
IUPAC NameNot Available
Traditional NameNot Available
SMILESNC(=O)N[C@@H]1NC(=O)NC1=O
InChI IdentifierInChI=1S/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11)/t1-/m1/s1
InChI KeyPOJWUDADGALRAB-PVQJCKRUSA-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
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-066r-0900000000-1fd401d56d98d87dbdd3Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014i-4900000000-e97ef49bf0a2196d934bNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-006w-9000000000-335de2b91165784a4519Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03k9-9600000000-f8f7c9539a6985b3035dNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-01vo-9500000000-1529ed4ca8f6f4478fa8Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-9000000000-2d895b11eb6d3388c7c5Not AvailableView Spectrum
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
2058.0Log mg/kg[1200:3700]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
505AmplifiersElectrical & Electronic EquipmentNot Available
506AntennasElectrical & Electronic EquipmentNot Available
510Communication Cables Or ConductorsElectrical & Electronic EquipmentNot Available
548Preparation Of VinegarFood, food processing & cookwareNot Available
549Preparation Of Wine Or Sparkling WineFood, food processing & cookwareNot Available
559Non Electric Simulated Smoking DevicesHousehold cleaning & consumer productsNot Available
560Other Smoking RequisitesHousehold cleaning & consumer productsNot Available
562Pipe AccessoriesHousehold cleaning & consumer productsNot Available
564Soap DispensersHousehold cleaning & consumer productsNot Available
597ChemosterilantsAgriculture & land managementNot Available
607Rodenticides(1)Agriculture & land managementNot Available
608RodenticidesAgriculture & land managementNot Available
612Body Washing Or Cleaning ImplementsPersonal care & cosmeticsNot Available
616Face Mask CosmeticsPersonal care & cosmeticsNot Available
619Manicure PedicurePersonal care & cosmeticsNot Available
630ToysRecreation & sports surfacesNot Available
634BucklesTextiles, leather & furnishingsNot Available
643HeadwearTextiles, leather & furnishingsNot Available
653SewingTextiles, leather & furnishingsNot Available
658Touch FastenersTextiles, leather & furnishingsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureSodium/iodide cotransporterQ63008Rattus norvegicusPredicted (SEA)630.423
Macrophage metalloelastase structureClick to view 3D structureMacrophage metalloelastaseP39900HumansPredicted (SEA)4103.74
A disintegrin and metalloproteinase with thrombospondin motifs 5 structureClick to view 3D structureA disintegrin and metalloproteinase with thrombospondin motifs 5Q9UNA0HumansPredicted (SEA)3220.78
A disintegrin and metalloproteinase with thrombospondin motifs 4 structureClick to view 3D structureA disintegrin and metalloproteinase with thrombospondin motifs 4O75173HumansPredicted (SEA)3213.23
Click to view 3D structureMu-type opioid receptorP97266Cavia porcellusPredicted (SEA)2967.3
Click to view 3D structureLong-chain fatty acid transport protein 4Q6P1M0HumansPredicted (SEA)94.1976
Click to view 3D structureMu-type opioid receptorP33535Rattus norvegicusPredicted (SEA)3733.49
Disintegrin and metalloproteinase domain-containing protein 17 structureClick to view 3D structureDisintegrin and metalloproteinase domain-containing protein 17P78536HumansPredicted (SEA)5403.59
Click to view 3D structureKappa-type opioid receptorP41144Cavia porcellusPredicted (SEA)4001.53
Cyclin-dependent kinase 2-associated protein 1 structureClick to view 3D structureCyclin-dependent kinase 2-associated protein 1O14519HumansPredicted (SEA)527.351
Click to view 3D structureCviR transcriptional regulatorD3W065Chromobacterium violaceumPredicted (SEA)584.881
Mu-type opioid receptor structureClick to view 3D structureMu-type opioid receptorP35372HumansPredicted (SEA)7016.47
Click to view 3D structureDelta-type opioid receptorP33533Rattus norvegicusPredicted (SEA)3923.29
Delta-type opioid receptor structureClick to view 3D structureDelta-type opioid receptorP41143HumansPredicted (SEA)6702.9
Collagenase 3 structureClick to view 3D structureCollagenase 3P45452HumansPredicted (SEA)6382.86
RAC-beta serine/threonine-protein kinase structureClick to view 3D structureRAC-beta serine/threonine-protein kinaseP31751HumansPredicted (SEA)7365.55
Click to view 3D structureDelta-type opioid receptorP32300Mus musculusPredicted (SEA)3567.44
72 kDa type IV collagenase structureClick to view 3D structure72 kDa type IV collagenaseP08253HumansPredicted (SEA)6849.49
Protein deacetylase HDAC6 structureClick to view 3D structureProtein deacetylase HDAC6Q9UBN7HumansPredicted (SEA)7423.7
Click to view 3D structureSPRY domain-containing SOCS box protein 2O88838Mus musculusPredicted (SEA)189.251
Click to view 3D structureSynaptic vesicle glycoprotein 2AQ02563Rattus norvegicusPredicted (SEA)82.1309
3-phosphoinositide-dependent protein kinase 1 structureClick to view 3D structure3-phosphoinositide-dependent protein kinase 1O15530HumansPredicted (SEA)7410.31
Stromelysin-1 structureClick to view 3D structureStromelysin-1P08254HumansPredicted (SEA)6219.14
Tyrosine-protein kinase JAK3 structureClick to view 3D structureTyrosine-protein kinase JAK3P52333HumansPredicted (SEA)7530.04
Click to view 3D structureNonstructural protein 1Q194T2Influenza A virusPredicted (SEA)4061.16
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available