(2r)-2-amino-3-phenylsulfanylpropanoic acid (CED0221033)

Record Information
Version1.0
Creation Date2026-08-25 09:34:07 UTC
Update Date2026-08-25 09:34:07 UTC
SynCED IDCED0221033
Secondary Accession Numbers
  • CHEM262798
Identification
Common Name(2r)-2-amino-3-phenylsulfanylpropanoic acid
ClassSmall Molecule
Description
(2r)-2-amino-3-phenylsulfanylpropanoic acid belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. It has the formula C9H11NO2S and an average molecular weight of 197.26 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC9H11NO2S
Average Molecular Mass197.260 g/mol
Monoisotopic Mass197.051 g/mol
CAS Registry Number34317-61-8
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C9H11NO2S/c10-8(9(11)12)6-13-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1
InChI KeyXYUBQWNJDIAEES-QMMMGPOBSA-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
801.0 Log mg/kg [450:1400]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
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
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
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
0.429
Applicability Domain
0.429
Statistical Significance
6.00e-05
Supporting Reference Compounds
2
E-value
0.467095
Click to view 3D structureAspartate-semialdehyde dehydrogenaseO25801Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacterpylori)Predicted (SEA)
Prediction Confidence Score
0.424
Applicability Domain
0.424
Statistical Significance
1.00e-05
Supporting Reference Compounds
1
E-value
0.0778492
Glutamate receptor ionotropic, kainate 3 structureClick to view 3D structureGlutamate receptor ionotropic, kainate 3P42264Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.392
Applicability Domain
0.444
Statistical Significance
2.00e-04
Supporting Reference Compounds
26
E-value
1.55698
Kynureninase structureClick to view 3D structureKynureninaseQ16719HumansPredicted (SEA)
Prediction Confidence Score
0.388
Applicability Domain
0.41
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
0.374
Applicability Domain
0.516
Statistical Significance
6.00e-05
Supporting Reference Compounds
3
E-value
0.467095
Click to view 3D structureGlutamate racemaseQ03469Lactobacillus fermentumPredicted (SEA)
Prediction Confidence Score
0.372
Applicability Domain
0.372
Statistical Significance
1.90e-04
Supporting Reference Compounds
1
E-value
1.47914
Metabotropic glutamate receptor 2 structureClick to view 3D structureMetabotropic glutamate receptor 2Q14416HumansPredicted (SEA)
Prediction Confidence Score
0.369
Applicability Domain
0.444
Statistical Significance
0.001
Supporting Reference Compounds
85
E-value
8.09632
Excitatory amino acid transporter 3 structureClick to view 3D structureExcitatory amino acid transporter 3P43005HumansPredicted (SEA)
Prediction Confidence Score
0.367
Applicability Domain
0.4
Statistical Significance
2.80e-04
Supporting Reference Compounds
13
E-value
2.17978
Excitatory amino acid transporter 1 structureClick to view 3D structureExcitatory amino acid transporter 1P43003HumansPredicted (SEA)
Prediction Confidence Score
0.366
Applicability Domain
0.4
Statistical Significance
7.00e-05
Supporting Reference Compounds
11
E-value
0.544945
Click to view 3D structureKynureninaseP70712Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.366
Applicability Domain
0.366
Statistical Significance
8.00e-05
Supporting Reference Compounds
1
E-value
0.622794
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
0.364
Applicability Domain
0.367
Statistical Significance
6.00e-05
Supporting Reference Compounds
3
E-value
0.467095
Glutamate receptor ionotropic, kainate 1 structureClick to view 3D structureGlutamate receptor ionotropic, kainate 1P22756Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.352
Applicability Domain
0.372
Statistical Significance
3.10e-04
Supporting Reference Compounds
45
E-value
2.41333
Solute carrier family 15 member 1 structureClick to view 3D structureSolute carrier family 15 member 1P46059HumansPredicted (SEA)
Prediction Confidence Score
0.35
Applicability Domain
0.366
Statistical Significance
0.0015
Supporting Reference Compounds
3
E-value
11.7552
Glutamate receptor ionotropic, kainate 1 structureClick to view 3D structureGlutamate receptor ionotropic, kainate 1P39086HumansPredicted (SEA)
Prediction Confidence Score
0.345
Applicability Domain
0.39
Statistical Significance
2.80e-04
Supporting Reference Compounds
31
E-value
2.17978
Glutamate receptor ionotropic, kainate 2 structureClick to view 3D structureGlutamate receptor ionotropic, kainate 2Q13002HumansPredicted (SEA)
Prediction Confidence Score
0.345
Applicability Domain
0.39
Statistical Significance
1.60e-04
Supporting Reference Compounds
16
E-value
1.24559
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
Alkaline phosphatase, tissue-nonspecific isozyme structureClick to view 3D structureAlkaline phosphatase, tissue-nonspecific isozymeP05186HumansPredicted (SEA)
Prediction Confidence Score
0.335
Applicability Domain
0.516
Statistical Significance
3.90e-04
Supporting Reference Compounds
48
E-value
3.03612
Click to view 3D structureIntestinal-type alkaline phosphataseP09923HumansPredicted (SEA)
Prediction Confidence Score
0.333
Applicability Domain
0.516
Statistical Significance
3.90e-04
Supporting Reference Compounds
37
E-value
3.03612
Glutamate receptor 1 structureClick to view 3D structureGlutamate receptor 1P19490Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.331
Applicability Domain
0.356
Statistical Significance
0.0011
Supporting Reference Compounds
37
E-value
8.64126
Click to view 3D structureMetabotropic glutamate receptor 8P47743Mus musculusPredicted (SEA)
Prediction Confidence Score
0.329
Applicability Domain
0.344
Statistical Significance
2.70e-04
Supporting Reference Compounds
2
E-value
2.10193
Click to view 3D structureGlutamate receptor ionotropic, kainate 3Q13003HumansPredicted (SEA)
Prediction Confidence Score
0.326
Applicability Domain
0.344
Statistical Significance
1.60e-04
Supporting Reference Compounds
15
E-value
1.24559
Glutamate receptor 1 structureClick to view 3D structureGlutamate receptor 1P42261HumansPredicted (SEA)
Prediction Confidence Score
0.324
Applicability Domain
0.344
Statistical Significance
5.60e-04
Supporting Reference Compounds
37
E-value
4.35956
Glutamate receptor 2 structureClick to view 3D structureGlutamate receptor 2P42262HumansPredicted (SEA)
Prediction Confidence Score
0.324
Applicability Domain
0.344
Statistical Significance
3.10e-04
Supporting Reference Compounds
41
E-value
2.41333
Click to view 3D structureGlutamate receptor ionotropic, kainate 5Q16478HumansPredicted (SEA)
Prediction Confidence Score
0.324
Applicability Domain
0.344
Statistical Significance
2.10e-04
Supporting Reference Compounds
17
E-value
1.63483
Glutamate receptor 2 structureClick to view 3D structureGlutamate receptor 2P19491Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.324
Applicability Domain
0.356
Statistical Significance
1.40e-04
Supporting Reference Compounds
34
E-value
1.08989
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available