Pyridoxamine (CED0004485)

Record Information
Version1.0
Creation Date2016-05-26 05:11:08 UTC
Update Date2026-08-24 13:21:00 UTC
SynCED IDCED0004485
Secondary Accession Numbers
  • CHEM034751
Identification
Common NamePyridoxamine
ClassSmall Molecule
Description
Pyridoxamine is an organic compound with the chemical formula C8H12N2O2 and an average molecular weight of 168.19 g/mol. Pyridoxamine belongs to the pyridoxamines, a subclass of pyridines and derivatives within the organic compounds. This compound is recorded as being found in or released from 11 different sources across various categories. Within household cleaning and consumer products, it is associated with soap detergents, bleaching agents, perfumes within detergents and soaps, non electric simulated smoking devices, and tobacco smoke filters. In the realm of electrical and electronic equipment, pyridoxamine is linked to electrodes, discharge lamps, electrically stimulated smoking devices, and fixed capacitors and their manufacture. Additionally, it is found in food, food processing and cookware, specifically regarding food preservation and the preparation of wine or sparkling wine. Regarding its biological activity, pyridoxamine acts as an inhibitor of the protein target known as the advanced glycosylation end product-specific receptor (AGER).
Contaminant TypeNot Available
Chemical Structure
Synonyms
ValueSource
4-(AMINOMETHYL)-5-(hydroxymethyl)-2-methylpyridin-3-olChEBI
PMChEBI
2-Methyl-4-aminomethyl-5-hydroxymethyl-3-pyridinolHMDB
4-(Aminomethyl)-5-(hydroxymethyl)-2-methyl-3-pyridinolHMDB
4-(Aminomethyl)-5-hydroxy-6-methyl-3-pyridinemethanolHMDB
PyridoxylamineHMDB
Chemical FormulaC8H12N2O2
Average Molecular Mass168.193 g/mol
Monoisotopic Mass168.090 g/mol
CAS Registry Number85-87-0
IUPAC Name4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol
Traditional Namepyridoxamine
SMILESCC1=C(O)C(CN)=C(CO)C=N1
InChI IdentifierInChI=1S/C8H12N2O2/c1-5-8(12)7(2-9)6(4-11)3-10-5/h3,11-12H,2,4,9H2,1H3
InChI KeyNHZMQXZHNVQTQA-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as pyridoxamine 5'-phosphates. These are heterocyclic aromatic compounds containing a pyridoxamine that carries a phosphate group at the 5'-position.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassPyridines and derivatives
Sub ClassPyridoxamines
Direct ParentPyridoxamine 5'-phosphates
Alternative Parents
Substituents
  • Pyridoxamine 5'-phosphate
  • Aralkylamine
  • Hydroxypyridine
  • Methylpyridine
  • Heteroaromatic compound
  • Azacycle
  • Amine
  • Hydrocarbon derivative
  • Alcohol
  • Aromatic alcohol
  • Primary amine
  • Primary alcohol
  • Organooxygen compound
  • Organonitrogen compound
  • Primary aliphatic amine
  • Organic nitrogen compound
  • Organopnictogen compound
  • Organic oxygen 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 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 Properties
PropertyValueSource
Water Solubility29 g/LALOGPS
logP-1.2ALOGPS
logP-1.6ChemAxon
logS-0.76ALOGPS
pKa (Strongest Acidic)7.81ChemAxon
pKa (Strongest Basic)9.61ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area79.37 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity45.76 m³·mol⁻¹ChemAxon
Polarizability17.52 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 Spectrumsplash10-001j-0590000000-a4bf9fe291241c903e3dNot AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-00di-9350000000-3b1415672e7ab22d5e64Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-001i-1490000000-7214a8743cbe260268ceNot AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-001j-0590000000-a4bf9fe291241c903e3dNot AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-00di-9350000000-3b1415672e7ab22d5e64Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-001i-1490000000-7214a8743cbe260268ceNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS Spectrumsplash10-0f79-2900000000-1dfbec04a6ae497e3229Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS Spectrumsplash10-00dj-6090000000-1aab191c7ca62559a838Not 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 Spectrumsplash10-014i-0900000000-4ca97fcd886d80336a5cNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-1900000000-499c48bce709456248bcNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0059-9200000000-aee74b4498be7c8cea6fNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0900000000-f1da14360063a04c11b4Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014r-0900000000-f5aea0fa928eb266a79dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0900000000-bebad702dbdba57d61faNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-05fr-0900000000-7322846ca1b4d95b5b16Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0ab9-2900000000-da43b1a049d349d91831Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0900000000-6b5f1d606df91ae52eb4Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0gb9-0900000000-d5a16a4cdc19453ae9c7Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-01b9-0900000000-3a1f853ce36bb047e05fNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0900000000-f1da14360063a04c11b4Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014r-0900000000-f5aea0fa928eb266a79dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0900000000-c7a2dec0f7555dcc5ef7Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-05fr-0900000000-fe3f1f78fad714162a1cNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0ab9-2900000000-da43b1a049d349d91831Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-01b9-0900000000-f0cc74a9651686c1610cNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0900000000-9303a95b8f51c5ce6c22Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0900000000-6b5f1d606df91ae52eb4Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0gb9-0900000000-d5a16a4cdc19453ae9c7Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0900000000-e7c1a5c0a15d2286fd9eNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0gb9-0900000000-7ad9986f40824dad58ecNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0900000000-2c74eab03031c35d0169Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-1900000000-8698331771ba30e67928Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0059-9100000000-3d0ed1a96ca9827758efNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0900000000-22d49ad4f05bd962e23cNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0900000000-258c299259e4c006e823Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0900000000-0fe5c444c03b29edbb2cNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0900000000-383c2630231d9c610a5cNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0900000000-c35c3a38c0a85924d651Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0900000000-c6ffbf7a3c0a43088366Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0a4i-7900000000-19419236ab8c3db3223aNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0900000000-e2e0cc65a3d4fda73f61Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-001i-1900000000-e424ad965e704cf0a9b0Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-9100000000-7ce6c1efc91a6f3663eeNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0uxr-0900000000-a1db882596b08c2987a7Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0ue9-0900000000-b0f20e8503b963c8a31fNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-001i-3900000000-b41efa32a572817ef0c9Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014i-0900000000-cd842fcc776d552a0f07Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-052r-0900000000-ae76358c88e1a1cf17dcNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0596-9600000000-eeec53c65ada2bc944b0Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014i-0900000000-0428d0f13acd0374c645Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00dr-0900000000-7c0c3d07d92ad7759e07Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-05fr-3900000000-a22455baf0fed0c875c6Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0uxr-0900000000-7b26001513c56b713273Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0f89-0900000000-41006337ebe61f6ba8daNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-001i-8900000000-7b6a6ed7693f75a02478Not 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
3048.0 Log mg/kg [1700:5400]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
CEDs000010Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.Agriculture & land managementPubChem
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
CEDs000514Discharge Lamps?Discharge lamps, including fluorescent and high-intensity discharge (HID) lamps, are commonly used for lighting applications due to their energy efficiency and brightness.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
CEDs000521Fixed Capacitors And Their Manufacture?Fixed capacitors are passive electronic components used to store and release electrical energy, playing a critical role in various circuits.Electrical & Electronic EquipmentPubChem
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
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
CEDs000559Non Electric Simulated Smoking Devices?Non-electric simulated smoking devices, often designed to mimic the experience of smoking without combustion, can be sources of synthetic chemical contamination due to the materials and chemicals used in their construction and operation.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
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
CEDs000597Chemosterilants?Chemosterilants are synthetic chemicals designed to induce sterility in target pest populations, thereby controlling their reproduction and mitigating damage to crops.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
CEDs000602Molluscicides?Molluscicides are synthetic chemicals specifically designed to control and eliminate mollusks, such as snails and slugs, which can be detrimental to crops and agricultural productivity.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
CEDs000607Rodenticides(1)?Rodenticides are synthetic chemicals specifically formulated to control rodent populations, serving as a crucial tool in managing pests that can damage crops and spread diseases.Agriculture & land managementPubChem
CEDs000608Rodenticides?Rodenticides are chemical substances specifically designed to control rodent populations by causing death through various mechanisms, including anticoagulation or neurotoxicity.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
CEDs000612Body 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 & cosmeticsPubChem
CEDs000613Depilatories?Depilatories are products designed to remove unwanted hair through the application of synthetic chemicals that break down the protein structure of hair, facilitating its removal.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
CEDs000632Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.Textiles, leather & furnishingsPubChem
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
CEDs000685Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.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
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
CEDs000744Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.Wastewater, sanitation & biosolidsPubChem
CEDs01378Pasteurized MilkFood, food processing & cookwarePMC11354856
CEDs01447Evaporated MilkFood, food processing & cookwarePMC11354856
Pathways
3 pathwaysPathway Source: PathBank
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Pyridoxine-5'-phosphate oxidase structureClick to view 3D structurePyridoxine-5'-phosphate oxidaseQ9NVS9HumansPredicted (SEA)
Prediction Confidence Score
0.34
Applicability Domain
0.34
Statistical Significance
1.00e-05
Supporting Reference Compounds
1
E-value
0.0778492
Click to view 3D structureAromatic-L-amino-acid decarboxylaseO88533Mus musculusPredicted (SEA)
Prediction Confidence Score
0.286
Applicability Domain
0.286 Low confidence
Statistical Significance
1.10e-04
Supporting Reference Compounds
1
E-value
0.856341
Dihydrofolate reductase structureClick to view 3D structureDihydrofolate reductaseP0ABQ4Escherichia coli (strain K12)Predicted (SEA)
Prediction Confidence Score
0.273
Applicability Domain
0.292 Low confidence
Statistical Significance
0.0062
Supporting Reference Compounds
92
E-value
48.4222
Thiamine transporter ThiT structureClick to view 3D structureThiamine transporter ThiTA2RI47Lactococcus lactis subsp. cremoris (strain MG1363)Predicted (SEA)
Prediction Confidence Score
0.268
Applicability Domain
0.286 Low confidence
Statistical Significance
3.80e-04
Supporting Reference Compounds
2
E-value
2.95827
Click to view 3D structureDihydrofolate reductaseP04174Neisseria gonorrhoeaePredicted (SEA)
Prediction Confidence Score
0.265
Applicability Domain
0.292 Low confidence
Statistical Significance
0.0012
Supporting Reference Compounds
12
E-value
9.41976
Click to view 3D structureDihydrofolate reductaseQ920D2Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.265
Applicability Domain
0.292 Low confidence
Statistical Significance
0.0074
Supporting Reference Compounds
82
E-value
57.9198
Click to view 3D structureBifunctional dihydrofolate reductase-thymidylate synthaseQ27713Plasmodium berghei str. ANKAPredicted (SEA)
Prediction Confidence Score
0.261
Applicability Domain
0.292 Low confidence
Statistical Significance
0.0015
Supporting Reference Compounds
14
E-value
12.0666
Click to view 3D structureDihydrofolate reductaseQ59487Lactococcus lactis subsp. lactis (strain IL1403) (Streptococcuslactis)Predicted (SEA)
Prediction Confidence Score
0.253
Applicability Domain
0.292 Low confidence
Statistical Significance
0.0012
Supporting Reference Compounds
10
E-value
9.41976
Dihydrofolate reductase structureClick to view 3D structureDihydrofolate reductaseP00374HumansPredicted (SEA)
Prediction Confidence Score
0.252
Applicability Domain
0.292 Low confidence
Statistical Significance
0.0196
Supporting Reference Compounds
156
E-value
152.896
Click to view 3D structureThioredoxin reductase 2, mitochondrialQ9Z0J5Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.239
Applicability Domain
0.239 Low confidence
Statistical Significance
1.20e-04
Supporting Reference Compounds
1
E-value
0.934191
Click to view 3D structureDihydrofolate reductaseQ8Z9J9Salmonella enterica subsp. enterica serovar TyphiPredicted (SEA)
Prediction Confidence Score
0.236
Applicability Domain
0.255 Low confidence
Statistical Significance
0.0065
Supporting Reference Compounds
13
E-value
50.9912
Dihydrofolate reductase structureClick to view 3D structureDihydrofolate reductaseP00381Lactobacillus caseiPredicted (SEA)
Prediction Confidence Score
0.236
Applicability Domain
0.255 Low confidence
Statistical Significance
0.0216
Supporting Reference Compounds
60
E-value
168.154
Primary amine oxidase structureClick to view 3D structurePrimary amine oxidaseQ43077Pisum sativumPredicted (SEA)
Prediction Confidence Score
0.222
Applicability Domain
0.222 Low confidence
Statistical Significance
0.0012
Supporting Reference Compounds
1
E-value
9.03051
Click to view 3D structurePyruvate dehydrogenase E1 component subunit alpha, somatic form, mitochondrialP29804Sus scrofaPredicted (SEA)
Prediction Confidence Score
0.212
Applicability Domain
0.25 Low confidence
Statistical Significance
9.90e-04
Supporting Reference Compounds
2
E-value
7.70707
Dihydrofolate reductase structureClick to view 3D structureDihydrofolate reductaseP00378Gallus gallusPredicted (SEA)
Prediction Confidence Score
0.212
Applicability Domain
0.255 Low confidence
Statistical Significance
0.0201
Supporting Reference Compounds
33
E-value
156.866
Click to view 3D structureDipeptidyl peptidase 2Q9EPB1Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.211
Applicability Domain
0.232 Low confidence
Statistical Significance
0.0024
Supporting Reference Compounds
3
E-value
18.9174
Dihydrofolate reductase structureClick to view 3D structureDihydrofolate reductaseP16184Pneumocystis cariniiPredicted (SEA)
Prediction Confidence Score
0.21
Applicability Domain
0.22 Low confidence
Statistical Significance
0.0586
Supporting Reference Compounds
62
E-value
455.885
Bifunctional dihydrofolate reductase-thymidylate synthase structureClick to view 3D structureBifunctional dihydrofolate reductase-thymidylate synthaseQ07422Toxoplasma gondiiPredicted (SEA)
Prediction Confidence Score
0.21
Applicability Domain
0.22 Low confidence
Statistical Significance
0.0794
Supporting Reference Compounds
89
E-value
617.967
Dihydrofolate reductase structureClick to view 3D structureDihydrofolate reductaseO30463Mycobacterium aviumPredicted (SEA)
Prediction Confidence Score
0.208
Applicability Domain
0.22 Low confidence
Statistical Significance
0.0327
Supporting Reference Compounds
23
E-value
254.723
Dipeptidyl peptidase 4 structureClick to view 3D structureDipeptidyl peptidase 4P27487HumansPredicted (SEA)
Prediction Confidence Score
0.207
Applicability Domain
0.232 Low confidence
Statistical Significance
0.2061
Supporting Reference Compounds
129
E-value
1604.78
Bifunctional dihydrofolate reductase-thymidylate synthase structureClick to view 3D structureBifunctional dihydrofolate reductase-thymidylate synthaseP13922Plasmodium falciparum (isolate K1 / Thailand)Predicted (SEA)
Prediction Confidence Score
0.205
Applicability Domain
0.22 Low confidence
Statistical Significance
0.0385
Supporting Reference Compounds
26
E-value
300.109
Cytochrome P450 2A6 structureClick to view 3D structureCytochrome P450 2A6P11509HumansPredicted (SEA)
Prediction Confidence Score
0.204
Applicability Domain
0.227 Low confidence
Statistical Significance
0.0547
Supporting Reference Compounds
68
E-value
425.835
Click to view 3D structureMannose-6-phosphate isomeraseP34949HumansPredicted (SEA)
Prediction Confidence Score
0.203
Applicability Domain
0.373
Statistical Significance
0.0498
Supporting Reference Compounds
53
E-value
387.845
Click to view 3D structureP2X purinoceptor 1P47824Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.203
Applicability Domain
0.348
Statistical Significance
0.011
Supporting Reference Compounds
18
E-value
85.7898
Cytochrome P450 1A2 structureClick to view 3D structureCytochrome P450 1A2P05177HumansPredicted (SEA)
Prediction Confidence Score
0.202
Applicability Domain
0.227 Low confidence
Statistical Significance
0.8729
Supporting Reference Compounds
793
E-value
6795.77
Concentrations
Not Available
External Links
DrugBank IDDB11673
HMDB IDHMDB0001431
FooDB IDFDB021819
Phenol Explorer IDNot Available
KNApSAcK IDC00007504
BiGG ID35277
BioCyc IDPYRIDOXAMINE
METLIN ID238
PDB IDNot Available
Wikipedia LinkPyridoxamine
Chemspider ID1023
ChEBI ID16410
PubChem Compound ID1052
Kegg Compound IDC00534
YMDB IDYMDB00889
ECMDB IDECMDB01431
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available