3-[[3-amino-5-[carbamimidoyl(methyl)amino]pentanoyl]amino]-6-(4-amino-2-oxopyrimidin-1-yl)-3,6-dihydro-2h-pyran-2-carboxylic acid (CED0260343)

Record Information
Version1.0
Creation Date2026-08-29 03:49:44 UTC
Update Date2026-08-29 03:49:44 UTC
Accession NumberCHEM305239
Identification
Common Name3-[[3-amino-5-[carbamimidoyl(methyl)amino]pentanoyl]amino]-6-(4-amino-2-oxopyrimidin-1-yl)-3,6-dihydro-2h-pyran-2-carboxylic acid
ClassSmall Molecule
Description
3-[[3-amino-5-[carbamimidoyl(methyl)amino]pentanoyl]amino]-6-(4-amino-2-oxopyrimidin-1-yl)-3,6-dihydro-2h-pyran-2-carboxylic acid is a chemical compound with the formula C17H26N8O5 and an average molecular weight of 422.40 g/mol. This substance has been identified in or released from nine recorded sources. Within the category of electrical and electronic equipment, it is associated with magnets, television systems, hybrid capacitors, and fixed capacitors and their manufacture. In the sector of food, food processing and cookware, it is found in the preparation of malt and food preservation. It is also present in household cleaning and consumer products, specifically within soap detergents and perfumes within detergents and soaps. Additionally, the compound is recorded in the building and construction sector in relation to floors.
Contaminant TypeNot Available
Chemical Structure
SynonymsNot Available
Chemical FormulaC17H26N8O5
Average Molecular MassNot Available
Monoisotopic Mass422.203 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESCN(CCC(CC(=O)NC1C=CC(OC1C(=O)O)N2C=CC(=NC2=O)N)N)C(=N)N
InChI IdentifierInChI=1S/C17H26N8O5/c1-24(16(20)21)6-4-9(18)8-12(26)22-10-2-3-13(30-14(10)15(27)28)25-7-5-11(19)23-17(25)29/h2-3,5,7,9-10,13-14H,4,6,8,18H2,1H3,(H3,20,21)(H,22,26)(H,27,28)(H2,19,23,29)
InChI KeyCXNPLSGKWMLZPZ-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
4257.0Log mg/kg[2400:7600]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
10InsecticidesAgriculture & land managementNot Available
497FloorsBuilding & ConstructionNot Available
521Fixed Capacitors And Their ManufactureElectrical & Electronic EquipmentNot Available
524Hybrid CapacitorsElectrical & Electronic EquipmentNot Available
527MagnetsElectrical & Electronic EquipmentNot Available
537Television SystemsElectrical & Electronic EquipmentNot Available
545Food PreservationFood, food processing & cookwareNot Available
547Preparation Of MaltFood, food processing & cookwareNot Available
561Perfumes Within Detergents And SoapsHousehold cleaning & consumer productsNot Available
563Soap DetergentsHousehold cleaning & consumer productsNot Available
583Anchoring EquipmentMarine, shipping & aquacultureNot Available
596AcaricidesAgriculture & land managementNot Available
597ChemosterilantsAgriculture & land managementNot Available
598Fertiliser DistributorsAgriculture & land managementNot Available
600Herbicides And AlgicidesAgriculture & land managementNot Available
602MolluscicidesAgriculture & land managementNot Available
603NematocidesAgriculture & land managementNot Available
605Pest RepellantsAgriculture & land managementNot Available
606Plant Growth RegulatorsAgriculture & land managementNot Available
607Rodenticides(1)Agriculture & land managementNot Available
608RodenticidesAgriculture & land managementNot Available
610Aftersun ProductsPersonal care & cosmeticsNot Available
611Anti Perspirants Or Body DeoderantsPersonal care & cosmeticsNot Available
642FootwearTextiles, 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 structure4-diphosphocytidyl-2-C-methyl-D-erythritol kinaseP62615Escherichia coli (strain K12)Predicted (SEA)1.63483
Tyrosine--tRNA ligase structureClick to view 3D structureTyrosine--tRNA ligaseP0AGJ9Escherichia coli (strain K12)Predicted (SEA)4.43741
Reverse transcriptase/RNaseH structureClick to view 3D structureReverse transcriptase/RNaseHQ72547Human immunodeficiency virus 1Predicted (SEA)53.3267
Click to view 3D structureSodium- and chloride-dependent creatine transporter 1P48029HumansPredicted (SEA)2.41333
Click to view 3D structureCaM kinase I alphaO04417Zea maysPredicted (SEA)114.75
Dihydrofolate reductase structureClick to view 3D structureDihydrofolate reductaseP00374HumansPredicted (SEA)1507.39
Serine protease 1 structureClick to view 3D structureSerine protease 1P07477HumansPredicted (SEA)2172.38
Click to view 3D structureEnoyl-[acyl-carrier-protein] reductase [NADH] FabIP44432Haemophilus influenzae (strain ATCC 51907 / DSM 11121 / KW20 / Rd)Predicted (SEA)87.1133
Prothrombin structureClick to view 3D structureProthrombinP00734HumansPredicted (SEA)4278.59
Histamine H1 receptor structureClick to view 3D structureHistamine H1 receptorP35367HumansPredicted (SEA)5570.5
Histamine H2 receptor structureClick to view 3D structureHistamine H2 receptorP25021HumansPredicted (SEA)4213.9
Click to view 3D structureProton-coupled folate transporterQ96NT5HumansPredicted (SEA)126.894
Folate receptor alpha structureClick to view 3D structureFolate receptor alphaP15328HumansPredicted (SEA)127.984
Reduced folate transporter structureClick to view 3D structureReduced folate transporterP41440HumansPredicted (SEA)119.732
Nicotinamide N-methyltransferase structureClick to view 3D structureNicotinamide N-methyltransferaseP40261HumansPredicted (SEA)77.46
Histamine H4 receptor structureClick to view 3D structureHistamine H4 receptorQ9H3N8HumansPredicted (SEA)3164.42
Trifunctional purine biosynthetic protein adenosine-3 structureClick to view 3D structureTrifunctional purine biosynthetic protein adenosine-3P22102HumansPredicted (SEA)243.668
Click to view 3D structureDihydrofolate reductaseP00375Mus musculusPredicted (SEA)328.524
Click to view 3D structureDihydrofolate reductaseQ920D2Rattus norvegicusPredicted (SEA)956.144
Dihydrofolate reductase structureClick to view 3D structureDihydrofolate reductaseP00381Lactobacillus caseiPredicted (SEA)861.791
Histone-lysine N-methyltransferase, H3 lysine-79 specific structureClick to view 3D structureHistone-lysine N-methyltransferase, H3 lysine-79 specificQ8TEK3HumansPredicted (SEA)144.8
Click to view 3D structureHistamine H2 receptorP47747Cavia porcellusPredicted (SEA)1059.45
Neurogenic locus notch homolog protein 2 structureClick to view 3D structureNeurogenic locus notch homolog protein 2Q04721HumansPredicted (SEA)197.971
Neurogenic locus notch homolog protein 4 structureClick to view 3D structureNeurogenic locus notch homolog protein 4Q99466HumansPredicted (SEA)197.971
Histamine H3 receptor structureClick to view 3D structureHistamine H3 receptorQ9Y5N1HumansPredicted (SEA)5261.91
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available