(2s)-2-amino-5-chloro-4-oxopentanoic acid (CED0310084)

Record Information
Version1.0
Creation Date2026-09-01 08:10:34 UTC
Update Date2026-09-01 08:10:34 UTC
SynCED IDCED0310084
Secondary Accession Numbers
  • CHEM355789
Identification
Common Name(2s)-2-amino-5-chloro-4-oxopentanoic acid
ClassSmall Molecule
Description
(2s)-2-amino-5-chloro-4-oxopentanoic acid is a chemical compound with the formula C5H8ClNO3 and an average molecular weight of 165.57 g/mol. This substance has been found in or released from one recorded source: electrical and electronic equipment, specifically television systems.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC5H8ClNO3
Average Molecular MassNot Available
Monoisotopic Mass165.019 g/mol
CAS Registry Number7438-69-9
IUPAC NameNot Available
Traditional NameNot Available
SMILESC(C(C(=O)O)N)C(=O)CCl
InChI IdentifierInChI=1S/C5H8ClNO3/c6-2-3(8)1-4(7)5(9)10/h4H,1-2,7H2,(H,9,10)/t4-/m0/s1
InChI KeyRAAUBRQLKXXMQK-BYPYZUCNSA-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
201.0 Log mg/kg [110:360]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 EffectRelationshipDirectionReference
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 managementNot Available
CEDs000537Television 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 EquipmentNot Available
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureAsc-type amino acid transporter 1P63116RatPredicted (SEA)
Prediction Confidence Score
0.458
Applicability Domain
0.458
Statistical Significance
4.00e-05
Supporting Reference Compounds
2
E-value
0.311397
Glutamate transporter homolog structureClick to view 3D structureGlutamate transporter homologO59010Pyrococcus horikoshii (strain ATCC 700860 / DSM 12428 / JCM 9974 /NBRC 100139 / OT-3)Predicted (SEA)
Prediction Confidence Score
0.454
Applicability Domain
0.565
Statistical Significance
2.00e-05
Supporting Reference Compounds
3
E-value
0.155698
Glutamate receptor ionotropic, kainate 1 structureClick to view 3D structureGlutamate receptor ionotropic, kainate 1P39086HumansPredicted (SEA)
Prediction Confidence Score
0.432
Applicability Domain
0.481
Statistical Significance
9.00e-05
Supporting Reference Compounds
31
E-value
0.700643
Excitatory amino acid transporter 3 structureClick to view 3D structureExcitatory amino acid transporter 3P43005HumansPredicted (SEA)
Prediction Confidence Score
0.402
Applicability Domain
0.444
Statistical Significance
1.80e-04
Supporting Reference Compounds
13
E-value
1.40129
Metabotropic glutamate receptor 2 structureClick to view 3D structureMetabotropic glutamate receptor 2Q14416HumansPredicted (SEA)
Prediction Confidence Score
0.397
Applicability Domain
0.481
Statistical Significance
7.80e-04
Supporting Reference Compounds
85
E-value
6.07224
Glutamate receptor ionotropic, kainate 1 structureClick to view 3D structureGlutamate receptor ionotropic, kainate 1P22756Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.393
Applicability Domain
0.444
Statistical Significance
2.10e-04
Supporting Reference Compounds
45
E-value
1.63483
Glutamate receptor ionotropic, kainate 2 structureClick to view 3D structureGlutamate receptor ionotropic, kainate 2Q13002HumansPredicted (SEA)
Prediction Confidence Score
0.39
Applicability Domain
0.481
Statistical Significance
1.10e-04
Supporting Reference Compounds
16
E-value
0.856341
Click to view 3D structureMetabotropic glutamate receptor 8P47743Mus musculusPredicted (SEA)
Prediction Confidence Score
0.387
Applicability Domain
0.407
Statistical Significance
1.10e-04
Supporting Reference Compounds
2
E-value
0.856341
Click to view 3D structureGlutamate receptor 4P48058HumansPredicted (SEA)
Prediction Confidence Score
0.387
Applicability Domain
0.419
Statistical Significance
1.10e-04
Supporting Reference Compounds
25
E-value
0.856341
Click to view 3D structureMetabotropic glutamate receptor 2P31421Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.375
Applicability Domain
0.407
Statistical Significance
6.50e-04
Supporting Reference Compounds
53
E-value
5.0602
Glutamate receptor ionotropic, kainate 3 structureClick to view 3D structureGlutamate receptor ionotropic, kainate 3P42264Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.374
Applicability Domain
0.444
Statistical Significance
2.00e-04
Supporting Reference Compounds
26
E-value
1.55698
Click to view 3D structureMetabotropic glutamate receptor 6P35349Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.372
Applicability Domain
0.407
Statistical Significance
1.90e-04
Supporting Reference Compounds
24
E-value
1.47914
Metabotropic glutamate receptor 1 structureClick to view 3D structureMetabotropic glutamate receptor 1Q13255HumansPredicted (SEA)
Prediction Confidence Score
0.372
Applicability Domain
0.481
Statistical Significance
6.30e-04
Supporting Reference Compounds
68
E-value
4.9045
Glutamate receptor ionotropic, kainate 2 structureClick to view 3D structureGlutamate receptor ionotropic, kainate 2P42260Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.37
Applicability Domain
0.444
Statistical Significance
1.70e-04
Supporting Reference Compounds
18
E-value
1.32344
Glutamate receptor 1 structureClick to view 3D structureGlutamate receptor 1P42261HumansPredicted (SEA)
Prediction Confidence Score
0.368
Applicability Domain
0.407
Statistical Significance
3.90e-04
Supporting Reference Compounds
37
E-value
3.03612
Glutamate receptor 2 structureClick to view 3D structureGlutamate receptor 2P42262HumansPredicted (SEA)
Prediction Confidence Score
0.368
Applicability Domain
0.407
Statistical Significance
1.60e-04
Supporting Reference Compounds
41
E-value
1.24559
Click to view 3D structureMetabotropic glutamate receptor 6O15303HumansPredicted (SEA)
Prediction Confidence Score
0.366
Applicability Domain
0.444
Statistical Significance
3.00e-04
Supporting Reference Compounds
39
E-value
2.33548
Click to view 3D structureGlutamate receptor ionotropic, kainate 5Q16478HumansPredicted (SEA)
Prediction Confidence Score
0.363
Applicability Domain
0.407
Statistical Significance
1.40e-04
Supporting Reference Compounds
17
E-value
1.08989
Click to view 3D structureMetabotropic glutamate receptor 4P31423Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.359
Applicability Domain
0.407
Statistical Significance
7.40e-04
Supporting Reference Compounds
38
E-value
5.76084
Click to view 3D structureGlutamate receptor ionotropic, kainate 3Q13003HumansPredicted (SEA)
Prediction Confidence Score
0.356
Applicability Domain
0.407
Statistical Significance
1.10e-04
Supporting Reference Compounds
15
E-value
0.856341
Click to view 3D structureAspartate-semialdehyde dehydrogenaseO25801Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacterpylori)Predicted (SEA)
Prediction Confidence Score
0.355
Applicability Domain
0.355
Statistical Significance
7.00e-05
Supporting Reference Compounds
1
E-value
0.544945
Metabotropic glutamate receptor 4 structureClick to view 3D structureMetabotropic glutamate receptor 4Q14833HumansPredicted (SEA)
Prediction Confidence Score
0.35
Applicability Domain
0.407
Statistical Significance
0.0017
Supporting Reference Compounds
69
E-value
12.923
Glutamate receptor 1 structureClick to view 3D structureGlutamate receptor 1P19490Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.348
Applicability Domain
0.444
Statistical Significance
5.20e-04
Supporting Reference Compounds
37
E-value
4.04816
Arginase structureClick to view 3D structureArginaseQ8I384Plasmodium falciparumPredicted (SEA)
Prediction Confidence Score
0.344
Applicability Domain
0.344
Statistical Significance
1.60e-04
Supporting Reference Compounds
1
E-value
1.24559
Arginase-2, mitochondrial structureClick to view 3D structureArginase-2, mitochondrialP78540HumansPredicted (SEA)
Prediction Confidence Score
0.337
Applicability Domain
0.353
Statistical Significance
1.10e-04
Supporting Reference Compounds
7
E-value
0.856341
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available