Np-nitrosonornicotine, N-glucuronide (CED0146963)

Record Information
Version1.0
Creation Date2026-04-06 09:57:05 UTC
Update Date2026-05-21 12:38:30 UTC
SynCED IDCED0146963
Secondary Accession Numbers
  • CHEM122260
Identification
Common NameNp-nitrosonornicotine, N-glucuronide
ClassSmall Molecule
Description
Np-nitrosonornicotine, N-glucuronide is a compound identified in 13 recorded sources across multiple sectors. Within the Electrical & Electronic Equipment sector, it is found in or released from cell phones, capacitors, wires and cables, batteries, and printed circuit boards, among others. It is also associated with the Textiles, leather & furnishings sector, specifically in synthetic textiles as well as carpets and rugs. The compound is present in food packaging within the Food, food processing & cookware sector. In the healthcare, pharmaceuticals & veterinary products sector, it is linked to medical devices. Additionally, Np-nitrosonornicotine, N-glucuronide is found in lubricants used in both the Energy, oil & gas sector and the Industrial manufacturing & chemical processing sector. It has been identified in one additional sector. Recorded routes of exposure for this compound include inhalation, oral, and touch.
Contaminant Type
  • PFAS
Chemical Structure
SynonymsNot Available
Chemical FormulaNot Available
Average Molecular MassNot Available
Monoisotopic MassNot Available
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C15H19N3O7/c19-10-11(20)13(15(22)23)25-14(12(10)21)17-5-1-3-8(7-17)9-4-2-6-18(9)16-24/h1,3,5,7,9-14,19-21H,2,4,6H2/p+1/t9?,10-,11-,12+,13-,14?/m0/s1
InChI KeyPSJRIZSDTBSS-GRTDBQQJSA-O
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
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
5318.0 Log mg/kg [3000:9500]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionDescriptionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000007Pesticides?Pesticides are synthetic chemicals designed to prevent, destroy, or control pests that threaten crops and agricultural productivity.Agriculture & land managementNot Available
CEDs000120Wires and cables?Wires and cables are integral components in the transmission of electrical power and signals.Electrical & Electronic EquipmentNot Available
CEDs000121Printed circuit boards?Printed circuit boards (PCBs) are essential components in the manufacturing of electronic devices, serving as the backbone for electrical connections and circuit pathways.Electrical & Electronic EquipmentNot Available
CEDs000125Batteries?Batteries are devices that store and release electrical energy through electrochemical reactions.Electrical & Electronic EquipmentNot Available
CEDs000130Semiconductors?Semiconductors are materials that possess electrical conductivity between that of conductors and insulators, making them essential for various electronic applications, including transistors, diodes, and integrated circuits.Electrical & Electronic EquipmentNot Available
CEDs000138Lubricants?Lubricants are synthetic or petroleum-derived substances used to reduce friction between surfaces in machinery and equipment, enhancing operational efficiency and longevity.Energy, oil & gasNot Available
CEDs000147Food packaging?Food packaging often utilizes synthetic chemicals, such as plastics and coatings, to enhance durability, moisture resistance, and shelf life.Food, food processing & cookwareNot Available
CEDs000174Lubricants?Lubricants are synthetic or petroleum-based substances used to reduce friction and wear between moving parts in machinery and equipment.Industrial manufacturing & chemical processingNot Available
CEDs000234Medical devices?Medical devices often incorporate synthetic chemicals in their manufacturing processes, which can contribute to contamination in healthcare settings.Healthcare, pharmaceuticals & veterinary productsNot Available
CEDs000451Carpets and Rugs?Carpets and rugs are commonly manufactured using synthetic fibers such as nylon, polyester, and polypropylene, which can be derived from petrochemical sources.Textiles, leather & furnishingsNot Available
CEDs000454Synthetic textiles?Synthetic textiles are materials derived from man-made fibers, such as polyester, nylon, and acrylic, which are produced through chemical processes involving petrochemicals.Textiles, leather & furnishingsNot Available
CEDs000490Personal care & cosmeticsNot Available
CEDs000492Cell phones?Cell phones contain a variety of synthetic chemicals and materials, including plastics, metals, and glass, which can contribute to environmental contamination.Electrical & Electronic EquipmentNot Available
CEDs000493Capacitors?Capacitors are electronic components that store and release electrical energy, often using dielectric materials that can include synthetic chemicals.Electrical & Electronic EquipmentNot Available
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Alpha-L-iduronidase structureClick to view 3D structureAlpha-L-iduronidaseP35475HumansPredicted (SEA)
Prediction Confidence Score
0.244
Applicability Domain
0.244 Low confidence
Statistical Significance
8.40e-04
Supporting Reference Compounds
1
E-value
6.53933
Vesicular acetylcholine transporter structureClick to view 3D structureVesicular acetylcholine transporterQ16572HumansPredicted (SEA)
Prediction Confidence Score
0.235
Applicability Domain
0.238 Low confidence
Statistical Significance
0.0182
Supporting Reference Compounds
23
E-value
141.374
Click to view 3D structureLycopene beta-cyclaseP21687Pantoea ananasPredicted (SEA)
Prediction Confidence Score
0.234
Applicability Domain
0.234 Low confidence
Statistical Significance
0.005
Supporting Reference Compounds
1
E-value
38.8468
Click to view 3D structureSigma non-opioid intracellular receptor 1Q9R0C9Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.233
Applicability Domain
0.238 Low confidence
Statistical Significance
0.1282
Supporting Reference Compounds
207
E-value
997.871
Click to view 3D structureVesicular acetylcholine transporterQ62666Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.232
Applicability Domain
0.238 Low confidence
Statistical Significance
0.0138
Supporting Reference Compounds
21
E-value
107.743
Click to view 3D structureSodium-dependent dopamine transporterP23977Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.231
Applicability Domain
0.254 Low confidence
Statistical Significance
0.1228
Supporting Reference Compounds
203
E-value
955.677
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)
Prediction Confidence Score
0.23
Applicability Domain
0.238 Low confidence
Statistical Significance
0.3756
Supporting Reference Compounds
562
E-value
2923.78
Click to view 3D structureD(2) dopamine receptorP61169RatPredicted (SEA)
Prediction Confidence Score
0.23
Applicability Domain
0.254 Low confidence
Statistical Significance
0.3
Supporting Reference Compounds
528
E-value
2335.87
2-dehydropantoate 2-reductase structureClick to view 3D structure2-dehydropantoate 2-reductaseP0A9J4Escherichia coli K-12Predicted (SEA)
Prediction Confidence Score
0.226
Applicability Domain
0.226 Low confidence
Statistical Significance
0.0044
Supporting Reference Compounds
2
E-value
34.4872
Click to view 3D structureVesicular acetylcholine transporterP81721Torpedo californicaPredicted (SEA)
Prediction Confidence Score
0.225
Applicability Domain
0.238 Low confidence
Statistical Significance
0.0091
Supporting Reference Compounds
10
E-value
71.1542
Click to view 3D structureSodium-dependent serotonin transporterP31652Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.224
Applicability Domain
0.254 Low confidence
Statistical Significance
0.2264
Supporting Reference Compounds
297
E-value
1762.66
Click to view 3D structureNorepinephrine transporterQ9WTR4Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.221
Applicability Domain
0.254 Low confidence
Statistical Significance
0.0901
Supporting Reference Compounds
112
E-value
701.811
Collagenase 3 structureClick to view 3D structureCollagenase 3P45452HumansPredicted (SEA)
Prediction Confidence Score
0.218
Applicability Domain
0.244 Low confidence
Statistical Significance
0.3339
Supporting Reference Compounds
269
E-value
2599.46
Disintegrin and metalloproteinase domain-containing protein 17 structureClick to view 3D structureDisintegrin and metalloproteinase domain-containing protein 17P78536HumansPredicted (SEA)
Prediction Confidence Score
0.217
Applicability Domain
0.244 Low confidence
Statistical Significance
0.2675
Supporting Reference Compounds
166
E-value
2082.31
Click to view 3D structureD(1A) dopamine receptorP18901Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.216
Applicability Domain
0.25 Low confidence
Statistical Significance
0.2272
Supporting Reference Compounds
206
E-value
1768.81
D(3) dopamine receptor structureClick to view 3D structureD(3) dopamine receptorP35462HumansPredicted (SEA)
Prediction Confidence Score
0.215
Applicability Domain
0.239 Low confidence
Statistical Significance
0.6258
Supporting Reference Compounds
861
E-value
4872.19
Sodium- and chloride-dependent GABA transporter 1 structureClick to view 3D structureSodium- and chloride-dependent GABA transporter 1P30531HumansPredicted (SEA)
Prediction Confidence Score
0.215
Applicability Domain
0.233 Low confidence
Statistical Significance
0.0072
Supporting Reference Compounds
8
E-value
56.1293
Click to view 3D structureSodium- and chloride-dependent GABA transporter 1P31648Mus musculusPredicted (SEA)
Prediction Confidence Score
0.214
Applicability Domain
0.233 Low confidence
Statistical Significance
0.0255
Supporting Reference Compounds
17
E-value
198.204
D(2) dopamine receptor structureClick to view 3D structureD(2) dopamine receptorP14416HumansPredicted (SEA)
Prediction Confidence Score
0.214
Applicability Domain
0.227 Low confidence
Statistical Significance
0.6834
Supporting Reference Compounds
1103
E-value
5320.14
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)
Prediction Confidence Score
0.214
Applicability Domain
0.217 Low confidence
Statistical Significance
0.892
Supporting Reference Compounds
1538
E-value
6944.38
Lysine-specific histone demethylase 1A structureClick to view 3D structureLysine-specific histone demethylase 1AO60341HumansPredicted (SEA)
Prediction Confidence Score
0.214
Applicability Domain
0.253 Low confidence
Statistical Significance
0.1949
Supporting Reference Compounds
85
E-value
1517.59
Peptide deformylase structureClick to view 3D structurePeptide deformylaseP9WIJ3Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)Predicted (SEA)
Prediction Confidence Score
0.213
Applicability Domain
0.213 Low confidence
Statistical Significance
0.011
Supporting Reference Compounds
1
E-value
86.0234
Click to view 3D structureProlyl endopeptidaseP27028Elizabethkingia meningosepticaPredicted (SEA)
Prediction Confidence Score
0.213
Applicability Domain
0.213 Low confidence
Statistical Significance
0.0322
Supporting Reference Compounds
1
E-value
250.363
Disintegrin and metalloproteinase domain-containing protein 10 structureClick to view 3D structureDisintegrin and metalloproteinase domain-containing protein 10O14672HumansPredicted (SEA)
Prediction Confidence Score
0.213
Applicability Domain
0.244 Low confidence
Statistical Significance
0.0833
Supporting Reference Compounds
37
E-value
648.25
Click to view 3D structureAngiotensin-converting enzymeP12822Oryctolagus cuniculusPredicted (SEA)
Prediction Confidence Score
0.211
Applicability Domain
0.218 Low confidence
Statistical Significance
0.089
Supporting Reference Compounds
26
E-value
693.247
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available