2-amino-3-(5-nitro-6-oxo-1h-pyridin-3-yl)propanoic acid (CED0314324)

Record Information
Version1.0
Creation Date2026-09-01 14:16:16 UTC
Update Date2026-09-01 14:16:16 UTC
SynCED IDCED0314324
Secondary Accession Numbers
  • CHEM360220
Identification
Common Name2-amino-3-(5-nitro-6-oxo-1h-pyridin-3-yl)propanoic acid
ClassSmall Molecule
Description
2-amino-3-(5-nitro-6-oxo-1h-pyridin-3-yl)propanoic acid is a compound with the formula C8H9N3O5. It has an average molecular weight of 227.17 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC8H9N3O5
Average Molecular MassNot Available
Monoisotopic Mass227.054 g/mol
CAS Registry Number1270309-01-7
IUPAC NameNot Available
Traditional NameNot Available
SMILESC1=C(C(=O)NC=C1CC(C(=O)O)N)[N+](=O)[O-]
InChI IdentifierInChI=1S/C8H9N3O5/c9-5(8(13)14)1-4-2-6(11(15)16)7(12)10-3-4/h2-3,5H,1,9H2,(H,10,12)(H,13,14)
InChI KeyQAPOTKRKOKECHG-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
SpectraNot Available
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
3191.0 Log mg/kg [1800:5700]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
CEDs000600Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.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
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Tyrosine 3-monooxygenase structureClick to view 3D structureTyrosine 3-monooxygenaseP04177Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.375
Applicability Domain
0.375
Statistical Significance
8.00e-05
Supporting Reference Compounds
1
E-value
0.622794
Metabotropic glutamate receptor 4 structureClick to view 3D structureMetabotropic glutamate receptor 4Q14833HumansPredicted (SEA)
Prediction Confidence Score
0.329
Applicability Domain
0.344
Statistical Significance
0.0023
Supporting Reference Compounds
69
E-value
17.9053
Glutamate receptor 1 structureClick to view 3D structureGlutamate receptor 1P19490Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.329
Applicability Domain
0.434
Statistical Significance
0.0012
Supporting Reference Compounds
37
E-value
9.41976
Glutamate receptor 2 structureClick to view 3D structureGlutamate receptor 2P42262HumansPredicted (SEA)
Prediction Confidence Score
0.329
Applicability Domain
0.434
Statistical Significance
2.90e-04
Supporting Reference Compounds
41
E-value
2.25763
Click to view 3D structureMetabotropic glutamate receptor 4Q68EF4Mus musculusPredicted (SEA)
Prediction Confidence Score
0.328
Applicability Domain
0.328
Statistical Significance
1.50e-04
Supporting Reference Compounds
1
E-value
1.16774
Glutamate receptor ionotropic, kainate 1 structureClick to view 3D structureGlutamate receptor ionotropic, kainate 1P22756Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.322
Applicability Domain
0.434
Statistical Significance
5.50e-04
Supporting Reference Compounds
45
E-value
4.28171
Click to view 3D structureMetabotropic glutamate receptor 6O15303HumansPredicted (SEA)
Prediction Confidence Score
0.312
Applicability Domain
0.344
Statistical Significance
7.80e-04
Supporting Reference Compounds
39
E-value
6.07224
Glutamate receptor 2 structureClick to view 3D structureGlutamate receptor 2P19491Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.297
Applicability Domain
0.305
Statistical Significance
2.70e-04
Supporting Reference Compounds
34
E-value
2.10193
Click to view 3D structureGlutamate racemaseQ03469Lactobacillus fermentumPredicted (SEA)
Prediction Confidence Score
0.296
Applicability Domain
0.296 Low confidence
Statistical Significance
0.0016
Supporting Reference Compounds
1
E-value
12.1445
Click to view 3D structureGlutamate receptor ionotropic, kainate 5Q16478HumansPredicted (SEA)
Prediction Confidence Score
0.295
Applicability Domain
0.302
Statistical Significance
4.00e-04
Supporting Reference Compounds
17
E-value
3.11397
Glutamate receptor 3 structureClick to view 3D structureGlutamate receptor 3P19492Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.294
Applicability Domain
0.305
Statistical Significance
4.30e-04
Supporting Reference Compounds
30
E-value
3.34752
Glutamate receptor 1 structureClick to view 3D structureGlutamate receptor 1P42261HumansPredicted (SEA)
Prediction Confidence Score
0.294
Applicability Domain
0.302
Statistical Significance
8.70e-04
Supporting Reference Compounds
37
E-value
6.77288
Click to view 3D structureGlutamate receptor 4P48058HumansPredicted (SEA)
Prediction Confidence Score
0.294
Applicability Domain
0.302
Statistical Significance
4.60e-04
Supporting Reference Compounds
25
E-value
3.58106
Metabotropic glutamate receptor 8 structureClick to view 3D structureMetabotropic glutamate receptor 8O00222HumansPredicted (SEA)
Prediction Confidence Score
0.294
Applicability Domain
0.339
Statistical Significance
0.0011
Supporting Reference Compounds
48
E-value
8.79696
Glutamate receptor 4 structureClick to view 3D structureGlutamate receptor 4P19493Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.284
Applicability Domain
0.302
Statistical Significance
3.70e-04
Supporting Reference Compounds
25
E-value
2.88042
Glutamate receptor ionotropic, kainate 3 structureClick to view 3D structureGlutamate receptor ionotropic, kainate 3P42264Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.28
Applicability Domain
0.302
Statistical Significance
0.0011
Supporting Reference Compounds
26
E-value
8.56341
Glutamate receptor ionotropic, kainate 1 structureClick to view 3D structureGlutamate receptor ionotropic, kainate 1P39086HumansPredicted (SEA)
Prediction Confidence Score
0.278
Applicability Domain
0.29 Low confidence
Statistical Significance
7.40e-04
Supporting Reference Compounds
31
E-value
5.76084
Click to view 3D structureModulator of drug activity AQ8X6S1Escherichia coli O157:H7Predicted (SEA)
Prediction Confidence Score
0.278
Applicability Domain
0.291 Low confidence
Statistical Significance
5.00e-05
Supporting Reference Compounds
2
E-value
0.389246
Alkaline phosphatase, tissue-nonspecific isozyme structureClick to view 3D structureAlkaline phosphatase, tissue-nonspecific isozymeP05186HumansPredicted (SEA)
Prediction Confidence Score
0.277
Applicability Domain
0.415
Statistical Significance
0.002
Supporting Reference Compounds
48
E-value
15.9591
Solute carrier family 15 member 1 structureClick to view 3D structureSolute carrier family 15 member 1P46059HumansPredicted (SEA)
Prediction Confidence Score
0.277
Applicability Domain
0.288 Low confidence
Statistical Significance
0.0088
Supporting Reference Compounds
3
E-value
68.1959
Transthyretin structureClick to view 3D structureTransthyretinP02766HumansPredicted (SEA)
Prediction Confidence Score
0.276
Applicability Domain
0.333
Statistical Significance
0.0067
Supporting Reference Compounds
55
E-value
52.5482
Click to view 3D structureAsc-type amino acid transporter 1P63116RatPredicted (SEA)
Prediction Confidence Score
0.275
Applicability Domain
0.275 Low confidence
Statistical Significance
5.50e-04
Supporting Reference Compounds
2
E-value
4.28171
Histidinol dehydrogenase structureClick to view 3D structureHistidinol dehydrogenaseP06988Escherichia coli (strain K12)Predicted (SEA)
Prediction Confidence Score
0.275
Applicability Domain
0.281 Low confidence
Statistical Significance
0.0016
Supporting Reference Compounds
2
E-value
12.4559
Click to view 3D structureIntestinal-type alkaline phosphataseP09923HumansPredicted (SEA)
Prediction Confidence Score
0.272
Applicability Domain
0.415
Statistical Significance
0.0022
Supporting Reference Compounds
37
E-value
16.8154
Click to view 3D structureGlutamate receptor 3P42263HumansPredicted (SEA)
Prediction Confidence Score
0.271
Applicability Domain
0.286 Low confidence
Statistical Significance
4.60e-04
Supporting Reference Compounds
16
E-value
3.58106
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available