Ethenoadenine (CED0009366)

Record Information
Version1.0
Creation Date2026-04-05 12:29:40 UTC
Update Date2026-08-24 03:28:29 UTC
Accession NumberCHEM101436
Identification
Common NameEthenoadenine
ClassSmall Molecule
Description
Ethenoadenine is an organic compound with the formula C7H5N5 and an average molecular weight of 159.15 g/mol. Ethenoadenine belongs to the purines and purine derivatives, a subclass of imidazopyrimidines within the organic compounds. This compound is identified as being found in or released from eight recorded sources, which include electrical and electronic equipment such as antennas, amplifiers, microphones, auxiliary devices, and communication cables or conductors, as well as three additional sources. In terms of biological interaction, there is one recorded protein target for ethenoadenine, which is Endonuclease III.
Contaminant TypeNot Available
Chemical Structure
SynonymsNot Available
Chemical FormulaC7H5N5
Average Molecular Mass159.152 g/mol
Monoisotopic Mass159.054 g/mol
CAS Registry Number13875-63-3
IUPAC NameNot Available
Traditional NameNot Available
SMILESN1C=NC2=C1C1=NC=CN1C=N2
InChI IdentifierInChI=1S/C7H5N5/c1-2-12-4-11-6-5(7(12)8-1)9-3-10-6/h1-4H,(H,9,10)
InChI KeyOGVOXGPIHFKUGM-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
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted GC-MSPredicted GC-MS Spectrumsplash10-0a59-4900000000-f34932d6713bc9063c88Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03di-0900000000-44c6d34469e88df31424Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03di-0900000000-e58bb86b6e27ba058127Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03e9-0900000000-d03fab948d8fc3adc0e7Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-0900000000-28d4447504881e05f3caNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-0900000000-aae7a856947608bc0648Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a59-0900000000-e19a4a8343e241042d9bNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03di-0900000000-491bffd5eb2009008d64Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03di-0900000000-491bffd5eb2009008d64Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03di-0900000000-7bb4cbdfce0c98622d49Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-0900000000-e0444f105dd28297e2dcNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-0900000000-e0444f105dd28297e2dcNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a59-0900000000-176f301bab38a4213829Not AvailableView Spectrum
1D NMR13C NMR Spectrum (1D, D2O, predicted)Not AvailableNot AvailableView Spectrum
1D NMR1H NMR Spectrum (1D, D2O, predicted)Not AvailableNot 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
469.0Log mg/kg[260:830]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
505AmplifiersElectrical & Electronic EquipmentNot Available
506AntennasElectrical & Electronic EquipmentNot Available
507Auxiliary DevicesElectrical & Electronic EquipmentNot Available
510Communication Cables Or ConductorsElectrical & Electronic EquipmentNot Available
528MicrophonesElectrical & Electronic EquipmentNot Available
530Radio Transmission SystemsElectrical & Electronic EquipmentNot Available
537Television SystemsElectrical & Electronic EquipmentNot Available
539Video GamesElectrical & Electronic EquipmentNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)6777.48
Adenosine receptor A2b structureClick to view 3D structureAdenosine receptor A2bP29275HumansPredicted (SEA)2493.43
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)7021.3
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)6965.71
Leucine-rich repeat serine/threonine-protein kinase 2 structureClick to view 3D structureLeucine-rich repeat serine/threonine-protein kinase 2Q5S007HumansPredicted (SEA)5256.77
Cytochrome P450 1A2 structureClick to view 3D structureCytochrome P450 1A2P05177HumansPredicted (SEA)6896.2
Click to view 3D structureAdenosine receptor A1P25099Rattus norvegicusPredicted (SEA)2739.75
Click to view 3D structureAdenosine receptor A1P47745Cavia porcellusPredicted (SEA)228.799
Cytochrome P450 2C19 structureClick to view 3D structureCytochrome P450 2C19P33261HumansPredicted (SEA)7091.21
Click to view 3D structureAdenosine receptor A2aP30543Rattus norvegicusPredicted (SEA)2878.32
Click to view 3D structureAdenosine receptor A2aP46616Cavia porcellusPredicted (SEA)236.428
Aurora kinase A structureClick to view 3D structureAurora kinase AO14965HumansPredicted (SEA)6837.03
Adenosine receptor A2a structureClick to view 3D structureAdenosine receptor A2aP29274HumansPredicted (SEA)5221.74
Ribosomal protein S6 kinase alpha-3 structureClick to view 3D structureRibosomal protein S6 kinase alpha-3P51812HumansPredicted (SEA)6832.2
Adenosine receptor A3 structureClick to view 3D structureAdenosine receptor A3P0DMS8HumansPredicted (SEA)6067.18
Click to view 3D structureAdenosine receptor A2bP29276Rattus norvegicusPredicted (SEA)1455.86
Bromodomain-containing protein 4 structureClick to view 3D structureBromodomain-containing protein 4O60885HumansPredicted (SEA)5928.76
3-phosphoinositide-dependent protein kinase 1 structureClick to view 3D structure3-phosphoinositide-dependent protein kinase 1O15530HumansPredicted (SEA)7095.26
MAP/microtubule affinity-regulating kinase 3 structureClick to view 3D structureMAP/microtubule affinity-regulating kinase 3P27448HumansPredicted (SEA)7133.32
Serine/threonine-protein kinase Chk2 structureClick to view 3D structureSerine/threonine-protein kinase Chk2O96017HumansPredicted (SEA)7018.65
Serine/threonine-protein kinase MARK2 structureClick to view 3D structureSerine/threonine-protein kinase MARK2Q7KZI7HumansPredicted (SEA)7044.26
Guanine deaminase structureClick to view 3D structureGuanine deaminaseQ9Y2T3HumansPredicted (SEA)2.88042
Protein-tyrosine kinase 2-beta structureClick to view 3D structureProtein-tyrosine kinase 2-betaQ14289HumansPredicted (SEA)7032.28
Dual specificity tyrosine-phosphorylation-regulated kinase 1A structureClick to view 3D structureDual specificity tyrosine-phosphorylation-regulated kinase 1AQ13627HumansPredicted (SEA)7358.7
Purine nucleoside phosphorylase structureClick to view 3D structurePurine nucleoside phosphorylaseP00491HumansPredicted (SEA)94.8982
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available