(2s)-2-amino-4-oxo-4-phenylmethoxybutanoic acid (CED0098933)

Record Information
Version1.0
Creation Date2026-08-18 09:50:14 UTC
Update Date2026-08-18 09:50:14 UTC
SynCED IDCED0098933
Secondary Accession Numbers
  • CHEM156463
Identification
Common Name(2s)-2-amino-4-oxo-4-phenylmethoxybutanoic acid
ClassSmall Molecule
Description
(2s)-2-amino-4-oxo-4-phenylmethoxybutanoic acid is an organic compound with the formula C11H13NO4 and an average molecular weight of 223.22 g/mol. (2s)-2-amino-4-oxo-4-phenylmethoxybutanoic acid belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. It has been recorded as being found in or released from electrical and electronic equipment, specifically emergency protective devices.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC11H13NO4
Average Molecular Mass223.220 g/mol
Monoisotopic Mass223.084 g/mol
CAS Registry Number2177-63-1
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C11H13NO4/c12-9(11(14)15)6-10(13)16-7-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,14,15)/t9-/m0/s1
InChI KeyVGALFAWDSNRXJK-VIFPVBQESA-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
1435.0 Log mg/kg [810:2600]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
CEDs000517Electric Switches?Electric switches, integral components in numerous devices, can be a source of synthetic chemical contamination due to the materials and manufacturing processes involved in their production.Electrical & Electronic EquipmentPubChem
CEDs000520Emergency Protective Devices?Emergency protective devices, such as circuit breakers and surge protectors, are essential components in electrical systems designed to prevent damage from overcurrent and surges.Electrical & Electronic EquipmentPubChem
CEDs000606Plant Growth Regulators?Plant Growth Regulators (PGRs) are synthetic chemicals designed to influence the growth and development of plants.Agriculture & land managementPubChem
CEDs000630Toys?Toys, particularly those made from synthetic materials such as plastics, can be a source of chemical contamination due to the presence of various additives and compounds used in their production.Recreation & sports surfacesPubChem
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
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
CEDs000744Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.Wastewater, sanitation & biosolidsPubChem
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Excitatory amino acid transporter 3 structureClick to view 3D structureExcitatory amino acid transporter 3P43005HumansPredicted (SEA)
Prediction Confidence Score
0.443
Applicability Domain
0.5
Statistical Significance
1.20e-04
Supporting Reference Compounds
13
E-value
0.934191
Excitatory amino acid transporter 1 structureClick to view 3D structureExcitatory amino acid transporter 1P43003HumansPredicted (SEA)
Prediction Confidence Score
0.442
Applicability Domain
0.5
Statistical Significance
1.00e-05
Supporting Reference Compounds
11
E-value
0.0778492
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
0.438
Applicability Domain
0.5
Statistical Significance
2.00e-05
Supporting Reference Compounds
3
E-value
0.155698
Click to view 3D structureExcitatory amino acid transporter 4O35921Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.409
Applicability Domain
0.5
Statistical Significance
4.00e-05
Supporting Reference Compounds
3
E-value
0.311397
Click to view 3D structureGlutamate racemaseQ03469Lactobacillus fermentumPredicted (SEA)
Prediction Confidence Score
0.4
Applicability Domain
0.4
Statistical Significance
9.00e-05
Supporting Reference Compounds
1
E-value
0.700643
Glutamate receptor ionotropic, kainate 3 structureClick to view 3D structureGlutamate receptor ionotropic, kainate 3P42264Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.4
Applicability Domain
0.463
Statistical Significance
2.00e-04
Supporting Reference Compounds
26
E-value
1.55698
Click to view 3D structureKynureninaseP70712Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.395
Applicability Domain
0.395
Statistical Significance
3.00e-05
Supporting Reference Compounds
1
E-value
0.233548
Excitatory amino acid transporter 2 structureClick to view 3D structureExcitatory amino acid transporter 2P43004HumansPredicted (SEA)
Prediction Confidence Score
0.394
Applicability Domain
0.5
Statistical Significance
1.50e-04
Supporting Reference Compounds
15
E-value
1.16774
Kynureninase structureClick to view 3D structureKynureninaseQ16719HumansPredicted (SEA)
Prediction Confidence Score
0.384
Applicability Domain
0.395
Statistical Significance
2.00e-05
Supporting Reference Compounds
2
E-value
0.155698
Click to view 3D structureVoltage-dependent calcium channel subunit alpha-2/delta-1O08532Mus musculusPredicted (SEA)
Prediction Confidence Score
0.376
Applicability Domain
0.545
Statistical Significance
4.00e-05
Supporting Reference Compounds
3
E-value
0.311397
Solute carrier family 15 member 1 structureClick to view 3D structureSolute carrier family 15 member 1P46059HumansPredicted (SEA)
Prediction Confidence Score
0.37
Applicability Domain
0.395
Statistical Significance
9.50e-04
Supporting Reference Compounds
3
E-value
7.39568
Click to view 3D structureMast cell carboxypeptidase AP15088HumansPredicted (SEA)
Prediction Confidence Score
0.368
Applicability Domain
0.395
Statistical Significance
3.70e-04
Supporting Reference Compounds
2
E-value
2.88042
Metabotropic glutamate receptor 2 structureClick to view 3D structureMetabotropic glutamate receptor 2Q14416HumansPredicted (SEA)
Prediction Confidence Score
0.368
Applicability Domain
0.436
Statistical Significance
0.001
Supporting Reference Compounds
85
E-value
8.17417
Glutamate receptor ionotropic, kainate 1 structureClick to view 3D structureGlutamate receptor ionotropic, kainate 1P22756Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.362
Applicability Domain
0.413
Statistical Significance
2.40e-04
Supporting Reference Compounds
45
E-value
1.86838
Glutamate receptor ionotropic, kainate 1 structureClick to view 3D structureGlutamate receptor ionotropic, kainate 1P39086HumansPredicted (SEA)
Prediction Confidence Score
0.358
Applicability Domain
0.386
Statistical Significance
2.30e-04
Supporting Reference Compounds
31
E-value
1.79053
Glutamate receptor ionotropic, kainate 2 structureClick to view 3D structureGlutamate receptor ionotropic, kainate 2Q13002HumansPredicted (SEA)
Prediction Confidence Score
0.353
Applicability Domain
0.386
Statistical Significance
1.60e-04
Supporting Reference Compounds
16
E-value
1.24559
Cruzipain structureClick to view 3D structureCruzipainP25779Trypanosoma cruziPredicted (SEA)
Prediction Confidence Score
0.353
Applicability Domain
0.375
Statistical Significance
0.0042
Supporting Reference Compounds
65
E-value
32.4631
Cathepsin B structureClick to view 3D structureCathepsin BP07858HumansPredicted (SEA)
Prediction Confidence Score
0.352
Applicability Domain
0.36
Statistical Significance
0.0095
Supporting Reference Compounds
173
E-value
74.1125
Click to view 3D structureCalpain-1 catalytic subunitP00789Gallus gallusPredicted (SEA)
Prediction Confidence Score
0.349
Applicability Domain
0.358
Statistical Significance
0.002
Supporting Reference Compounds
2
E-value
15.5698
Calpain-1 catalytic subunit structureClick to view 3D structureCalpain-1 catalytic subunitP07384HumansPredicted (SEA)
Prediction Confidence Score
0.346
Applicability Domain
0.357
Statistical Significance
0.0057
Supporting Reference Compounds
47
E-value
44.0627
Leukotriene A-4 hydrolase structureClick to view 3D structureLeukotriene A-4 hydrolaseP09960HumansPredicted (SEA)
Prediction Confidence Score
0.345
Applicability Domain
0.467
Statistical Significance
0.0028
Supporting Reference Compounds
51
E-value
21.8756
Procathepsin L structureClick to view 3D structureProcathepsin LP07711HumansPredicted (SEA)
Prediction Confidence Score
0.344
Applicability Domain
0.36
Statistical Significance
0.0133
Supporting Reference Compounds
167
E-value
103.462
Cathepsin S structureClick to view 3D structureCathepsin SP25774HumansPredicted (SEA)
Prediction Confidence Score
0.342
Applicability Domain
0.36
Statistical Significance
0.0088
Supporting Reference Compounds
141
E-value
68.663
Cathepsin K structureClick to view 3D structureCathepsin KP43235HumansPredicted (SEA)
Prediction Confidence Score
0.341
Applicability Domain
0.36
Statistical Significance
0.0095
Supporting Reference Compounds
129
E-value
73.7232
Tyrosine 3-monooxygenase structureClick to view 3D structureTyrosine 3-monooxygenaseP04177Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.341
Applicability Domain
0.341
Statistical Significance
1.50e-04
Supporting Reference Compounds
1
E-value
1.16774
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available