(2s,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-n-methyloxolane-2-carboxamide (CED0167595)

Record Information

Version

1.0

Creation Date

2026-08-18 10:29:25 UTC

Update Date

2026-08-18 10:29:25 UTC

SynCED ID

CED0167595

Secondary Accession Numbers

CHEM157120

Identification

Common Name

(2s,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-n-methyloxolane-2-carboxamide

Class

Small Molecule

Description

(2s,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-n-methyloxolane-2-carboxamide belongs to the purine nucleosides, a class of nucleosides, nucleotides, and analogues within the organic compounds. This compound has the chemical formula C11H14N6O4 and an average molecular weight of 294.27 g/mol. It has been found in or released from four recorded sources, including television systems, antennas, video games, and emergency protective devices, all of which fall under the category of electrical and electronic equipment.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₁H₁₄N₆O₄

Average Molecular Mass

294.270 g/mol

Monoisotopic Mass

294.108 g/mol

CAS Registry Number

35788-27-3

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C11H14N6O4/c1-13-10(20)7-5(18)6(19)11(21-7)17-3-16-4-8(12)14-2-15-9(4)17/h2-3,5-7,11,18-19H,1H3,(H,13,20)(H2,12,14,15)/t5-,6+,7-,11+/m0/s1

InChI Key

PLYRYAHDNXANEG-QMWPFBOUSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
1652.0 Log mg/kg [930:2900]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000233	Brushes?Brushes used in personal care and cosmetics can be a source of synthetic chemical contamination due to the materials and coatings used in their manufacturing.	Personal care & cosmetics	Not Available
CEDs000506	Antennas?Antennas, commonly used in communication technologies, can be a source of synthetic chemical contamination through the materials and coatings used in their construction.	Electrical & Electronic Equipment	Not Available
CEDs000511	Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.	Electrical & Electronic Equipment	Not Available
CEDs000517	Electric Switches?Electric switches, integral components in numerous devices, can be a source of synthetic chemical contamination due to the materials and manufacturing processes involved in their production.	Electrical & Electronic Equipment	Not Available
CEDs000520	Emergency Protective Devices?Emergency protective devices, such as circuit breakers and surge protectors, are essential components in electrical systems designed to prevent damage from overcurrent and surges.	Electrical & Electronic Equipment	Not Available
CEDs000537	Television 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 Equipment	Not Available
CEDs000539	Video Games?Video games, through their production and disposal processes, can be a source of synthetic chemical contamination.	Electrical & Electronic Equipment	Not Available
CEDs000612	Body Washing Or Cleaning Implements?Body washing or cleaning implements, such as synthetic sponges, loofahs, and washcloths, can be sources of synthetic chemical contamination due to the materials used in their production.	Personal care & cosmetics	Not Available
CEDs000630	Toys?Toys, particularly those made from synthetic materials such as plastics, can be a source of chemical contamination due to the presence of various additives and compounds used in their production.	Recreation & sports surfaces	Not Available
CEDs000640	Embroidering And Tufting?Embroidering and tufting processes often involve the use of synthetic chemicals such as dyes, adhesives, and finishing agents.	Textiles, leather & furnishings	Not Available
CEDs000647	Multicolour Dyeing?Multicolour dyeing involves the application of multiple synthetic dyes to textiles and other materials to achieve vibrant, diverse color patterns.	Textiles, leather & furnishings	Not Available
CEDs000653	Sewing?Sewing processes often involve the use of various synthetic chemicals, which can become sources of contamination in the environment.	Textiles, leather & furnishings	Not Available
CEDs000685	Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.	Building & Construction	Not Available
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	Not Available
CEDs000727	Printing Machines Or Presses?Printing machines or presses commonly utilize synthetic chemicals such as inks, solvents, and cleaning agents.	Paper, pulp & fiber products	Not Available
CEDs000739	Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.	Paper, pulp & fiber products	Not Available

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Heat shock protein HSP 90-alpha	P07900	Humans	Predicted (SEA)	Prediction Confidence Score 0.652 Applicability Domain 0.729 Statistical Significance 8.00e-05 Supporting Reference Compounds 109 E-value 0.622794
Click to view 3D structure	Endoplasmin	P14625	Humans	Predicted (SEA)	Prediction Confidence Score 0.652 Applicability Domain 0.729 Statistical Significance 4.00e-05 Supporting Reference Compounds 31 E-value 0.311397
Click to view 3D structure	Adenosine receptor A1	P25099	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.651 Applicability Domain 0.694 Statistical Significance 4.80e-04 Supporting Reference Compounds 221 E-value 3.73676
Click to view 3D structure	2-oxoglutarate receptor 1	Q6Y1R5	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.651 Applicability Domain 0.694 Statistical Significance 4.00e-05 Supporting Reference Compounds 11 E-value 0.311397
Click to view 3D structure	Adenosine receptor A3	P28647	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.644 Applicability Domain 0.694 Statistical Significance 3.00e-04 Supporting Reference Compounds 71 E-value 2.33548
Click to view 3D structure	Adenosylhomocysteinase	P23526	Humans	Predicted (SEA)	Prediction Confidence Score 0.637 Applicability Domain 0.729 Statistical Significance 2.00e-05 Supporting Reference Compounds 19 E-value 0.155698
Click to view 3D structure	Endoplasmin	Q29092	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.636 Applicability Domain 0.636 Statistical Significance 8.00e-05 Supporting Reference Compounds 1 E-value 0.622794
Click to view 3D structure	Adenosine receptor A3	P0DMS8	Humans	Predicted (SEA)	Prediction Confidence Score 0.634 Applicability Domain 0.673 Statistical Significance 8.80e-04 Supporting Reference Compounds 391 E-value 6.85073
Click to view 3D structure	Adenosine receptor A2a	P30543	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.634 Applicability Domain 0.673 Statistical Significance 4.50e-04 Supporting Reference Compounds 174 E-value 3.50322
Click to view 3D structure	Adenosine receptor A2a	P29274	Humans	Predicted (SEA)	Prediction Confidence Score 0.628 Applicability Domain 0.673 Statistical Significance 6.70e-04 Supporting Reference Compounds 303 E-value 5.2159
Click to view 3D structure	Adenosine receptor A1	P30542	Humans	Predicted (SEA)	Prediction Confidence Score 0.628 Applicability Domain 0.673 Statistical Significance 6.30e-04 Supporting Reference Compounds 302 E-value 4.9045
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	Prediction Confidence Score 0.545 Applicability Domain 0.673 Statistical Significance 0.0027 Supporting Reference Compounds 955 E-value 21.0971
Click to view 3D structure	Adenosine receptor A2b	P29275	Humans	Predicted (SEA)	Prediction Confidence Score 0.526 Applicability Domain 0.636 Statistical Significance 0.0017 Supporting Reference Compounds 187 E-value 12.923
Click to view 3D structure	S-methyl-5'-thioadenosine phosphorylase	Q9CQ65	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.525 Applicability Domain 0.525 Statistical Significance 2.60e-04 Supporting Reference Compounds 1 E-value 2.02408
Click to view 3D structure	Adenosylhomocysteinase	P10760	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.518 Applicability Domain 0.608 Statistical Significance 1.00e-04 Supporting Reference Compounds 4 E-value 0.778492
Click to view 3D structure	P2Y purinoceptor 1	P47900	Humans	Predicted (SEA)	Prediction Confidence Score 0.504 Applicability Domain 0.525 Statistical Significance 9.60e-04 Supporting Reference Compounds 42 E-value 7.47353
Click to view 3D structure	P2Y purinoceptor 2	P41231	Humans	Predicted (SEA)	Prediction Confidence Score 0.501 Applicability Domain 0.525 Statistical Significance 9.10e-04 Supporting Reference Compounds 44 E-value 7.08428
Click to view 3D structure	P2Y purinoceptor 1	P49652	Meleagris gallopavo	Predicted (SEA)	Prediction Confidence Score 0.493 Applicability Domain 0.525 Statistical Significance 5.80e-04 Supporting Reference Compounds 19 E-value 4.51525
Click to view 3D structure	Heat shock cognate 71 kDa protein	P19120	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.492 Applicability Domain 0.492 Statistical Significance 5.30e-04 Supporting Reference Compounds 1 E-value 4.12601
Click to view 3D structure	Sensor protein kinase WalK	Q9RDT3	Staphylococcus aureus	Predicted (SEA)	Prediction Confidence Score 0.492 Applicability Domain 0.492 Statistical Significance 5.30e-04 Supporting Reference Compounds 1 E-value 4.12601
Click to view 3D structure	Histone-arginine methyltransferase CARM1	Q86X55	Humans	Predicted (SEA)	Prediction Confidence Score 0.492 Applicability Domain 0.516 Statistical Significance 5.70e-04 Supporting Reference Compounds 43 E-value 4.43741
Click to view 3D structure	Histone-lysine N-methyltransferase, H3 lysine-79 specific	Q8TEK3	Humans	Predicted (SEA)	Prediction Confidence Score 0.491 Applicability Domain 0.593 Statistical Significance 4.60e-04 Supporting Reference Compounds 18 E-value 3.58106
Click to view 3D structure	P2X purinoceptor 1	P51575	Humans	Predicted (SEA)	Prediction Confidence Score 0.489 Applicability Domain 0.508 Statistical Significance 5.60e-04 Supporting Reference Compounds 35 E-value 4.35956
Click to view 3D structure	Adenosine receptor A1	P47745	Cavia porcellus	Predicted (SEA)	Prediction Confidence Score 0.486 Applicability Domain 0.636 Statistical Significance 8.40e-04 Supporting Reference Compounds 38 E-value 6.53933
Click to view 3D structure	P2X purinoceptor 3	P56373	Humans	Predicted (SEA)	Prediction Confidence Score 0.485 Applicability Domain 0.508 Statistical Significance 5.60e-04 Supporting Reference Compounds 51 E-value 4.35956