Quinolinic acid (CED0002967)

Record Information
Version1.0
Creation Date2016-05-19 04:49:46 UTC
Update Date2026-08-24 03:33:48 UTC
SynCED IDCED0002967
Secondary Accession Numbers
  • CHEM015383
Identification
Common NameQuinolinic acid
ClassSmall Molecule
Description
Quinolinic acid is an organic compound with the chemical formula C7H5NO4 and an average molecular weight of 167.12 g/mol. Quinolinic acid belongs to the pyridinecarboxylic acids and derivatives, a subclass of pyridines and derivatives within the organic compounds. It is further categorized under the superclass of organoheterocyclic compounds. The compound is found in or released from 18 recorded sources across several categories. Within household cleaning and consumer products, it is associated with soap detergents, bleaching agents, perfumes within detergents and soaps, cigar cigarettes, and other smoking requisites. It is also linked to food, food processing and cookware, specifically the processing of meats, food preservation, the preparation of wine or sparkling wine, and fermentation processes for beer. Additionally, it is found in drinking water and water supply. In the sector of electrical and electronic equipment, recorded sources include electrodes, antennas, electrically stimulated smoking devices, conductors or conductive bodies characterised by the conductive materials, and cores yokes or armatures, among two other sources. Regarding its biological interactions, quinolinic acid has one recorded protein target: nicotinate-nucleotide pyrophosphorylase [carboxylating] (nadC). The recorded route of exposure for this compound is oral.
Contaminant Type
  • Human Neurotoxin
Chemical Structure
Synonyms
ValueSource
2,3-Pyridinedicarboxylic acidChEBI
Pyridine-2,3-dicarboxylateChEBI
2,3-PyridinedicarboxylateGenerator
QuinolinateGenerator
Pyridine-2,3-dicarboxylic acidGenerator
3,4-Pyridinedicarboxylic acidHMDB
Pyridin-2,3-dicarbonsaeureHMDB
Pyridine-2,3-carboxylateHMDB
Quinolinic acidHMDB
Chemical FormulaC7H5NO4
Average Molecular Mass167.119 g/mol
Monoisotopic Mass167.022 g/mol
CAS Registry Number89-00-9
IUPAC Namepyridine-2,3-dicarboxylic acid
Traditional Namequinolinic acid
SMILESOC(=O)C1=CC=CN=C1C(O)=O
InChI IdentifierInChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12)
InChI KeyGJAWHXHKYYXBSV-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as pyridinecarboxylic acids. Pyridinecarboxylic acids are compounds containing a pyridine ring bearing a carboxylic acid group.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassPyridines and derivatives
Sub ClassPyridinecarboxylic acids and derivatives
Direct ParentPyridinecarboxylic acids
Alternative Parents
Substituents
  • Pyridine carboxylic acid
  • Dicarboxylic acid or derivatives
  • Heteroaromatic compound
  • Azacycle
  • Carboxylic acid
  • Carboxylic acid derivative
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organonitrogen compound
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological Roles
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility4.07 g/LALOGPS
logP0.15ALOGPS
logP-1ChemAxon
logS-1.6ALOGPS
pKa (Strongest Acidic)0.31ChemAxon
pKa (Strongest Basic)5.74ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area87.49 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity38.04 m³·mol⁻¹ChemAxon
Polarizability14.34 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
GC-MSGC-MS Spectrumsplash10-0002-0910000000-a8eacf1916c539d286b6Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0002-0910000000-64e9e4b901dd69dc90c5Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-006t-7910000000-0bb1a7ce8a5907feae21Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-05i0-9500000000-555e92ebc410fc53e92fNot AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0100-5900000000-3d726d602fec21fd8bebNot AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0002-0910000000-a8eacf1916c539d286b6Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0002-0910000000-64e9e4b901dd69dc90c5Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-006t-7910000000-0bb1a7ce8a5907feae21Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0002-1960000000-8197ee161fa149deabddNot AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0002-0920000000-40d676712c981904799fNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS Spectrumsplash10-0g4j-4900000000-40b629f8c2ff96d454dcNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS Spectrumsplash10-00di-9680000000-e45ac969fff3f654bb49Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0002-0900000000-4a6d37bd8578b50cf677Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-9100000000-45dc448cbedc6465ad63Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-9000000000-2aa35085995bdc1801daNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0900000000-d0eb03bdfeea6084e0dbNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0100-5900000000-7d59ce683134a6f33e8dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00or-9700000000-c13d2a2f6361459932dbNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-016r-8900000000-d7f12324cf02b0023aedNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00or-9600000000-d51ee74ca89d43da53b4Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-1900000000-a44a9d75afd871a62687Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4r-4900000000-1b71b709786880019164Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-5900000000-56f78a7bdb3c091573a7Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a6r-9500000000-8140904c5eb795e92371Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-9100000000-1175e50dbd23fc2a9922Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0900000000-9a963e41421edb041561Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0900000000-4c0c9b98c2ce00d0d282Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0900000000-d0eb03bdfeea6084e0dbNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0100-5900000000-4af865513d09a8bab44fNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00or-9700000000-c13d2a2f6361459932dbNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-016r-8900000000-ff25a1c9823ecb018549Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00or-9600000000-d51ee74ca89d43da53b4Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0900000000-9aae7c1fea6c004e9a69Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0900000000-738f4d5b9ac02d750938Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0900000000-15b9defdbe16fc3862e0Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0900000000-0f75a31fb21a47946ce3Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0900000000-be59efebd27c9ead86f3Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0fk9-0900000000-451e2c803b494b6470d1Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-2900000000-44254e622ab95d3e8de7Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0900000000-88300d62153cc9ab0a7aNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0900000000-8d708be6f669c4c7d590Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0900000000-3caad5bf54891863742aNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004j-0900000000-f85d858923b491e70a60Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-002b-0900000000-34db1ea2882c0a8c99c9Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0900000000-7fc94eff9b377b373572Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0900000000-eac9ce6269818d6d10c4Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0900000000-d059d82f4b8e59752608Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0900000000-3d7a8f67f87e05404f07Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0900000000-ed561b5a2dc4540c442fNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-9600000000-011a5c8bf119e6697712Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0900000000-9a963e41421edb041561Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-2900000000-6dca4ba759859d0ce6c4Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-006t-8900000000-559da2fb64557e9679bcNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0900000000-4c0c9b98c2ce00d0d282Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-006t-5900000000-91176c9b1fa6fbf3fc27Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-9400000000-566dd983a92551b6f38eNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00b9-9600000000-d7705e37d652f5412c6cNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-9000000000-cb432ea2876f5e8c2ac2Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-9000000000-08977392e91a0d4e0d66Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-2900000000-52ee2c91e322326f978aNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00b9-8900000000-44f2dcfd973a357bafd2Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-9000000000-4596aa1cbacd0e8a9affNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-9100000000-ef7d9102df930deaa9b0Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0900000000-be59efebd27c9ead86f3Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0fk9-0900000000-451e2c803b494b6470d1Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-9000000000-7a4d0bbd8c09ea9db320Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0900000000-1fa299e065021c080055Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0kxr-9000000000-fd640796c7ef83d55972Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-2900000000-44254e622ab95d3e8de7Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0900000000-d1e5227c31d10a6a1429Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-9000000000-e8312241ac093fa68652Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014i-0900000000-f9e1437d75c6f5b25d88Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014i-1900000000-ad80f96e7d85d594f6cbNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0uk9-9300000000-57792ffddc2cccbd77b9Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00xr-0900000000-343bdc632cd1916d92c9Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00fr-4900000000-c83c2058ae8923828aa6Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00os-9100000000-840c225c8204e80727f2Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-9400000000-0684b858da9bb555dc9aNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-9100000000-7e3865c522ba70e8d286Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-9000000000-d69c3a6bdf8c658bdbbdNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udi-0900000000-8d1d3d8587db03e0d0c7Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udi-0900000000-f485f8de627b437d88ccNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-5900000000-c6a1fbf92ae5e7022de9Not AvailableView Spectrum
1D NMR1H NMR Spectrum (1D, D2O, predicted)Not AvailableNot AvailableView Spectrum
1D NMR13C NMR Spectrum (1D, D2O, predicted)Not AvailableNot AvailableView Spectrum
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
3501.0 Log mg/kg [2000:6200]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
hypertensionAssociated With?increaseA disorder characterized by a pathological increase in blood pressure; a repeatedly elevation in the blood pressure exceeding 140 over 90 mm Hg. (NCI CTCAE)PMC12948907
inflammationAssociated With?increaseNot AvailablePMC9181223
cancerAssociated With?Not AvailableCancer is a group of diseases involving abnormal cell growth with the potential to invade or spread to other parts of the body. Possible signs and symptoms include a lump, abnormal bleeding, prolonged cough, unexplained weight loss, and a change in bowel movements. There are over 100 types of cancers affect humans. The risk of developing certain cancers can be reduced by not smoking, maintaining a healthy weight, not drinking too much alcohol, eating plenty of vegetables, fruits and whole grains, vaccination against certain infectious diseases, not eating too much processed and red meat and avoiding too much sunlight exposure. Cancer is often treated with some combination of radiation therapy, surgery, chemotherapy and targeted therapy. The majority of cancers, some 90–95% of cases, are due to genetic mutations from environmental and lifestyle factors. The remaining 5–10% are due to inherited genetics.PMC9181223
kidney diseaseAssociated With?positiveA urinary system disease that is located in the kidney. (DO)PMC10960708
Alzheimer's diseaseAssociated With?increaseA neurodegenerative disease which causes neural atrophy, leading to dementia and memory loss.PMC9965259
diabetes mellitusAssociated With?Not AvailableA glucose metabolism disease characterized by chronic hyperglycaemia with disturbances of carbohydrate, fat and protein metabolism resulting from defects in insulin secretion, insulin action, or both. (DO)PMC9181223
leukemiaAssociated With?Not AvailableA cancer that affects the blood or bone marrow characterized by an abnormal proliferation of blood cells. (DO)PMC12197365
schizophreniaAssociated With?Not AvailableA psychotic disorder that is characterized by a disintegration of thought processes and of emotional responsiveness. (DO)PMC9181223
schizophreniaAssociated With?increaseA psychotic disorder that is characterized by a disintegration of thought processes and of emotional responsiveness. (DO)PMC9965259
atherosclerosisAssociated With?Not AvailableA disorder involving build-up of fatty material and calcium deposition in the arterial wall. It results in partial or complete occlusion of the arterial lumen.PMC9181223
cognitive impairmentAssociated With?Not AvailableNot AvailablePMC5748880
amyotrophic lateral sclerosisAssociated With?increaseA motor neuron disease that is characterized by muscle spasticity, rapidly progressive weakness due to muscle atrophy, difficulty in speaking, swallowing, and breathing. (DO)PMC9965259
Parkinson's diseaseAssociated With?increaseA long-term degenerative disorder of the central nervous system that mainly affects the motor system. The symptoms generally come on slowly over time.PMC9965259
neurodegenerative diseaseAssociated With?Not AvailableA central nervous system disease that results in the progressive deterioration of function or structure of neurons. (DO)PMC9181223 , PMC4726147
Toxic encephalopathyAssociated With?Not AvailableNot AvailablePMC7890081
toxoplasmosisAssociated With?Not AvailableNot AvailablePMC5748880
colitisAssociated With?increaseA disorder characterized by inflammation of the colon. (NCI CTCAE)PMC11902694
Oxidative StressAssociated With?Not AvailableNot AvailablePMC12626971
gliomaAssociated With?Not AvailableNot AvailablePMC5495139 , PMC12197365
nervous system disorderAssociated With?Not AvailableNot AvailablePMC6511314
depressive disorderAssociated With?Not AvailableNot AvailablePMC9951986 , PMC9965259
NeuroinflammationAssociated With?Not AvailableNot AvailablePMC12426032
autistic disorderAssociated With?increaseNot AvailablePMC9965259
NeurodegenerationAssociated With?Not AvailableNot AvailablePMC10514522
Mental deteriorationAssociated With?increaseNot AvailablePMC9965259
Immunosuppression TherapyAssociated With?Not AvailableNot AvailablePMC12426032
Huntington's diseaseAssociated With?increaseNot AvailablePMC10503295
cerebral malariaAssociated With?Not AvailableNot AvailablePMC5748880
Exposure Sources
Source IDSourceSectorReference
CEDs000010Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.Agriculture & land managementPubChem
CEDs000115Drinking water?Drinking water can be a medium for synthetic chemical contamination, often originating from various industrial processes and agricultural practices.Drinking water & water supplyNot Available
CEDs000233Brushes?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 & cosmeticsPubChem
CEDs000240Dental materials?Dental materials, including composites, adhesives, and dental amalgams, are widely used in restorative and preventive dental procedures.Healthcare, pharmaceuticals & veterinary productsPMC9662750
CEDs000506Antennas?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 EquipmentPubChem
CEDs000511Conductors 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 EquipmentPubChem
CEDs000513Cores Yokes Or Armatures?Cores, yokes, or armatures are components commonly found in electrical devices, used to facilitate the magnetic and electrical functions within motors, transformers, and generators.Electrical & Electronic EquipmentPubChem
CEDs000518Electrically Stimulated Smoking Devices?Electrically stimulated smoking devices, commonly known as e-cigarettes or vape pens, utilize electrical components to heat a liquid solution, often containing nicotine, flavorings, and other additives, to produce an aerosol for inhalation.Electrical & Electronic EquipmentPubChem
CEDs000519Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.Electrical & Electronic EquipmentPubChem
CEDs000524Hybrid Capacitors?Hybrid capacitors are energy storage devices that combine the properties of electrolytic and supercapacitors, utilizing a combination of electrochemical principles to achieve higher energy density and power density.Electrical & Electronic EquipmentPubChem
CEDs000529Power Cables?Power cables are used to transmit electrical energy and are typically composed of conductive materials, insulation, and protective coatings.Electrical & Electronic EquipmentPubChem
CEDs000544Fermentation Processes For Beer?Fermentation processes for beer involve the conversion of sugars into alcohol and carbon dioxide by yeast.Food, food processing & cookwarePubChem
CEDs000545Food Preservation?Food preservation often involves the use of synthetic chemicals, such as preservatives, flavor enhancers, and color additives, to extend shelf life and enhance the sensory qualities of food products.Food, food processing & cookwarePubChem
CEDs000549Preparation Of Wine Or Sparkling Wine?The preparation of wine or sparkling wine involves various stages, including fermentation, aging, and bottling, which can introduce potential sources of synthetic chemical contamination.Food, food processing & cookwarePubChem
CEDs000552Processing Meats?Processing meats can lead to synthetic chemical contamination primarily through the use of additives and preservatives.Food, food processing & cookwarePubChem
CEDs000555Bleaching Agents?Bleaching agents are chemical substances used to whiten or lighten materials, often employed in various cleaning products for their stain removal and disinfecting properties.Household cleaning & consumer productsPubChem
CEDs000556Cigar Cigarettes?Cigar cigarettes are a source of synthetic chemical contamination due to the combustion of various tobacco blends and additives.Household cleaning & consumer productsPubChem
CEDs000560Other Smoking Requisites?Other smoking requisites, including items such as lighters, matches, and rolling papers, can introduce synthetic chemical contamination through various components and additives.Household cleaning & consumer productsPubChem
CEDs000561Perfumes Within Detergents And Soaps?Perfumes within detergents and soaps are synthetic fragrance compounds added to enhance the sensory experience of cleaning products.Household cleaning & consumer productsPubChem
CEDs000563Soap Detergents?Soap detergents are synthetic surfactants designed to enhance the cleaning efficacy of water by reducing surface tension, allowing for better interaction with dirt and grease.Household cleaning & consumer productsPubChem
CEDs000569Tobacco Smoke Filters?Tobacco smoke filters are designed to reduce the inhalation of harmful substances in cigarette smoke, including tar and other particulate matter.Household cleaning & consumer productsPubChem
CEDs000578Making Cigars?The process of making cigars involves several steps, including the cultivation of tobacco, fermentation, and the application of various additives to enhance flavor and preservation.Industrial manufacturing & chemical processingPubChem
CEDs000580Manufacture Preparation Of Tobacco Products?The manufacture and preparation of tobacco products involve various processes that can result in the introduction of synthetic chemicals into the environment.Industrial manufacturing & chemical processingPubChem
CEDs000596Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.Agriculture & land managementPubChem
CEDs000600Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.Agriculture & land managementPubChem
CEDs000603Nematocides?Nematocides are synthetic chemicals specifically designed to control nematodes, which are microscopic roundworms that can cause significant damage to crops and plants.Agriculture & land managementPubChem
CEDs000604Pest Attractants?Pest attractants are synthetic chemicals designed to lure specific pests for monitoring or control purposes.Agriculture & land managementPubChem
CEDs000605Pest Repellants?Pest repellents, often formulated from synthetic chemicals, are widely used to protect crops from insect infestations and other pests.Agriculture & land managementPubChem
CEDs000606Plant Growth Regulators?Plant Growth Regulators (PGRs) are synthetic chemicals designed to influence the growth and development of plants.Agriculture & land managementPubChem
CEDs000609Aftershave?Aftershave is a grooming product typically used to soothe and protect the skin following shaving.Personal care & cosmeticsPubChem
CEDs000610Aftersun Products?Aftersun products are designed to soothe and hydrate the skin after sun exposure, often containing various synthetic chemicals such as emollients, preservatives, and fragrances.Personal care & cosmeticsPubChem
CEDs000611Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.Personal care & cosmeticsPubChem
CEDs000614Essential Oils Or Perfumes?Essential oils and perfumes are complex mixtures of volatile compounds derived from natural or synthetic sources, commonly used for their aromatic properties.Personal care & cosmeticsPubChem
CEDs000615Eye Makeup Products?Eye makeup products, including mascaras, eyeliners, and eyeshadows, often contain a variety of synthetic chemicals such as pigments, preservatives, and film-forming agents.Personal care & cosmeticsPubChem
CEDs000617Lip Care Products?Lip care products, including lipsticks, balms, and glosses, often contain a variety of synthetic chemicals such as parabens, phthalates, and synthetic fragrances.Personal care & cosmeticsPubChem
CEDs000618Lip Makeup Products?Lip makeup products, such as lipsticks, lip glosses, and lip liners, often contain a variety of synthetic chemicals, including pigments, preservatives, and emollients.Personal care & cosmeticsPubChem
CEDs000619Manicure Pedicure?Manicure and pedicure procedures often involve the use of various synthetic chemicals, including solvents, nail polishes, and nail adhesives.Personal care & cosmeticsPubChem
CEDs000620Card Games?Card games often utilize synthetic materials for playing cards and associated gaming equipment, which may contain various chemicals such as polyvinyl chloride (PVC), plastics, and dyes.Recreation & sports surfacesPubChem
CEDs000632Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.Textiles, leather & furnishingsPubChem
CEDs000638Decorating Textiles?Decorating textiles often involves the use of synthetic chemicals such as dyes, finishes, and coatings.Textiles, leather & furnishingsPubChem
CEDs000642Footwear?Footwear production often involves the use of various synthetic chemicals, such as adhesives, dyes, and treatments, which can contribute to environmental contamination.Textiles, leather & furnishingsPubChem
CEDs000650Purses Luggage Hand Bags?Purses, luggage, and handbags are often manufactured using synthetic materials such as polyvinyl chloride (PVC), polyurethane, and various types of nylon.Textiles, leather & furnishingsPubChem
CEDs000651Purses Money Bags Wallets?Purses, money bags, and wallets are often manufactured using synthetic materials, including plastics, polyurethanes, and various treated fabrics.Textiles, leather & furnishingsPubChem
CEDs000659Transfer Printing?Transfer printing is a process used to apply designs and patterns onto various substrates, commonly utilizing synthetic dyes and inks that can contain hazardous chemicals.Textiles, leather & furnishingsPubChem
CEDs000662Yarns Or Threads?Yarns or threads used in textiles can be a source of synthetic chemical contamination due to the production processes and treatments they undergo.Textiles, leather & furnishingsPubChem
CEDs000669PFAS Fire Fighting Foam?PFAS fire fighting foam refers to a class of synthetic foams containing per- and polyfluoroalkyl substances (PFAS), which are designed to suppress flammable liquid fires.Fire suppression systems & agentsPubChem
CEDs000678Nitrogenous Fertilisers?Nitrogenous fertilizers are synthetic chemical compounds primarily used to enhance plant growth by supplying essential nitrogen, a crucial nutrient for photosynthesis and protein synthesis.Agriculture & land managementPubChem
CEDs000679Phosphatic Fertilisers?Phosphatic fertilizers are synthetic chemical products primarily composed of phosphorus, which is essential for plant growth.Agriculture & land managementPubChem
CEDs000684Cements?Cements are a composite material primarily used as a binding agent in construction applications, formed by the calcination of limestone and clay minerals at high temperatures.Building & ConstructionPubChem
CEDs000685Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.Building & ConstructionPubChem
CEDs000688Glass Coatings?Glass coatings are synthetic chemical formulations applied to glass surfaces to enhance properties such as durability, UV resistance, and aesthetic appeal.Building & ConstructionPubChem
CEDs000690Lime?Lime, primarily comprised of calcium oxide (CaO) or calcium hydroxide (Ca(OH)₂), is widely used in various applications, including as a key ingredient in mortars, plasters, and cement.Building & ConstructionPubChem
CEDs000696Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.Industrial manufacturing & chemical processingPubChem
CEDs000734Coating Compositions?Coating compositions, which include paints, sealants, and varnishes, are formulated with a variety of synthetic chemicals such as solvents, resins, pigments, and additives.Building & ConstructionPubChem
CEDs000735Explosives?Explosives are chemical compounds or mixtures designed to undergo rapid decomposition, releasing energy in the form of gas and heat.Defense & military infrastructurePubChem
CEDs000738Cooling Circuit Water?Cooling circuit water is utilized in various industrial processes to absorb and dissipate heat generated during operations.Industrial manufacturing & chemical processingPubChem
CEDs000739Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.Paper, pulp & fiber productsPubChem
CEDs000740Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.Paper, pulp & fiber productsPubChem
CEDs000741Pigment Pastes?Pigment pastes are concentrated dispersions of pigments used to impart color and properties to materials.Paper, pulp & fiber productsPubChem
CEDs000742Leather Tanning?Leather tanning is a process that transforms raw animal hides into durable leather through the application of various chemicals, including chromium salts, aldehydes, and vegetable tannins.Textiles, leather & furnishingsPubChem
CEDs000743Sludge Treatment?Sludge treatment involves the processing of waste materials generated from wastewater treatment plants, which often contain a variety of organic and inorganic substances.Wastewater, sanitation & biosolidsPubChem
CEDs000744Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.Wastewater, sanitation & biosolidsPubChem
CEDs01680Vegetable MatricesFood, food processing & cookwarePMC9316347
CEDs02255WaterAquatic systems & sedimentsPMC9316347
Pathways
4 pathwaysPathway Source: PathBank
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureAdvanced glycosylation end product-specific receptorQ63495Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
1.0
Applicability Domain
1.0
Statistical Significance
1.00e-05
Supporting Reference Compounds
1
E-value
0.0778492
Nicotinate phosphoribosyltransferase structureClick to view 3D structureNicotinate phosphoribosyltransferaseQ6XQN6HumansPredicted (SEA)
Prediction Confidence Score
0.434
Applicability Domain
0.607
Statistical Significance
1.00e-05
Supporting Reference Compounds
12
E-value
0.0778492
Lysine-specific demethylase 4E structureClick to view 3D structureLysine-specific demethylase 4EB2RXH2HumansPredicted (SEA)
Prediction Confidence Score
0.409
Applicability Domain
0.471
Statistical Significance
2.50e-04
Supporting Reference Compounds
39
E-value
1.94623
Click to view 3D structureBeta-lactamaseQ44079Aeromonas hydrophilaPredicted (SEA)
Prediction Confidence Score
0.391
Applicability Domain
0.448
Statistical Significance
3.00e-05
Supporting Reference Compounds
2
E-value
0.233548
Lysine-specific demethylase 4A structureClick to view 3D structureLysine-specific demethylase 4AO75164HumansPredicted (SEA)
Prediction Confidence Score
0.384
Applicability Domain
0.471
Statistical Significance
6.10e-04
Supporting Reference Compounds
54
E-value
4.7488
Lysine-specific demethylase 4C structureClick to view 3D structureLysine-specific demethylase 4CQ9H3R0HumansPredicted (SEA)
Prediction Confidence Score
0.372
Applicability Domain
0.471
Statistical Significance
9.70e-04
Supporting Reference Compounds
72
E-value
7.55137
Lysine-specific demethylase 4D structureClick to view 3D structureLysine-specific demethylase 4DQ6B0I6HumansPredicted (SEA)
Prediction Confidence Score
0.362
Applicability Domain
0.471
Statistical Significance
3.70e-04
Supporting Reference Compounds
20
E-value
2.88042
Lysine-specific demethylase 6B structureClick to view 3D structureLysine-specific demethylase 6BO15054HumansPredicted (SEA)
Prediction Confidence Score
0.352
Applicability Domain
0.471
Statistical Significance
5.80e-04
Supporting Reference Compounds
32
E-value
4.51525
Lysine-specific demethylase 2A structureClick to view 3D structureLysine-specific demethylase 2AQ9Y2K7HumansPredicted (SEA)
Prediction Confidence Score
0.34
Applicability Domain
0.471
Statistical Significance
5.20e-04
Supporting Reference Compounds
35
E-value
4.04816
Lysine-specific demethylase 5C structureClick to view 3D structureLysine-specific demethylase 5CP41229HumansPredicted (SEA)
Prediction Confidence Score
0.339
Applicability Domain
0.471
Statistical Significance
4.90e-04
Supporting Reference Compounds
45
E-value
3.81461
Click to view 3D structureLysine-specific demethylase 3AQ9Y4C1HumansPredicted (SEA)
Prediction Confidence Score
0.339
Applicability Domain
0.471
Statistical Significance
4.30e-04
Supporting Reference Compounds
21
E-value
3.34752
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.329
Applicability Domain
0.429
Statistical Significance
0.0249
Supporting Reference Compounds
472
E-value
193.611
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.329
Applicability Domain
0.429
Statistical Significance
0.0212
Supporting Reference Compounds
407
E-value
165.352
Prostaglandin G/H synthase 2 structureClick to view 3D structureProstaglandin G/H synthase 2P35354HumansPredicted (SEA)
Prediction Confidence Score
0.329
Applicability Domain
0.395
Statistical Significance
0.0082
Supporting Reference Compounds
201
E-value
63.9921
Aspartyl/asparaginyl beta-hydroxylase structureClick to view 3D structureAspartyl/asparaginyl beta-hydroxylaseQ12797HumansPredicted (SEA)
Prediction Confidence Score
0.328
Applicability Domain
0.462
Statistical Significance
0.0013
Supporting Reference Compounds
17
E-value
9.809
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)
Prediction Confidence Score
0.324
Applicability Domain
0.429
Statistical Significance
0.0188
Supporting Reference Compounds
332
E-value
146.746
Prostaglandin G/H synthase 1 structureClick to view 3D structureProstaglandin G/H synthase 1P23219HumansPredicted (SEA)
Prediction Confidence Score
0.32
Applicability Domain
0.395
Statistical Significance
0.0061
Supporting Reference Compounds
136
E-value
47.7216
Click to view 3D structureMetallo beta-lactamaseQ6TUJ4Pseudomonas aeruginosaPredicted (SEA)
Prediction Confidence Score
0.316
Applicability Domain
0.316
Statistical Significance
1.50e-04
Supporting Reference Compounds
1
E-value
1.16774
Aldo-keto reductase family 1 member C3 structureClick to view 3D structureAldo-keto reductase family 1 member C3P42330HumansPredicted (SEA)
Prediction Confidence Score
0.31
Applicability Domain
0.364
Statistical Significance
0.0047
Supporting Reference Compounds
57
E-value
36.8227
Aldo-keto reductase family 1 member C2 structureClick to view 3D structureAldo-keto reductase family 1 member C2P52895HumansPredicted (SEA)
Prediction Confidence Score
0.309
Applicability Domain
0.364
Statistical Significance
0.0039
Supporting Reference Compounds
40
E-value
30.5169
Click to view 3D structureCarbonic anhydrase 15Q99N23Mus musculusPredicted (SEA)
Prediction Confidence Score
0.304
Applicability Domain
0.429
Statistical Significance
0.0074
Supporting Reference Compounds
78
E-value
57.842
Alpha-ketoglutarate-dependent dioxygenase FTO structureClick to view 3D structureAlpha-ketoglutarate-dependent dioxygenase FTOQ9C0B1HumansPredicted (SEA)
Prediction Confidence Score
0.303
Applicability Domain
0.471
Statistical Significance
0.0017
Supporting Reference Compounds
36
E-value
12.923
p-hydroxybenzoate hydroxylase structureClick to view 3D structurep-hydroxybenzoate hydroxylaseP00438Pseudomonas fluorescensPredicted (SEA)
Prediction Confidence Score
0.3
Applicability Domain
0.3
Statistical Significance
0.0033
Supporting Reference Compounds
1
E-value
25.6124
Metallo-beta-lactamase IMP-1 structureClick to view 3D structureMetallo-beta-lactamase IMP-1P52699Serratia marcescensPredicted (SEA)
Prediction Confidence Score
0.297
Applicability Domain
0.345
Statistical Significance
3.40e-04
Supporting Reference Compounds
2
E-value
2.64687
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)
Prediction Confidence Score
0.296
Applicability Domain
0.364
Statistical Significance
0.0381
Supporting Reference Compounds
372
E-value
296.683
Concentrations
Not Available
External Links
DrugBank IDDB01796
HMDB IDHMDB0000232
FooDB IDFDB031142
Phenol Explorer IDNot Available
KNApSAcK IDC00007381
BiGG IDNot Available
BioCyc IDQUINOLINATE
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkQuinolinic_acid
Chemspider ID144985
ChEBI ID16675
PubChem Compound ID1066
Kegg Compound IDC03722
YMDB IDYMDB00007
ECMDB IDECMDB00232
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available