2-amino-3-(thiophen-3-ylsulfonylamino)propanoic acid (CED0311510)

Record Information
Version1.0
Creation Date2026-09-01 10:17:46 UTC
Update Date2026-09-01 10:17:46 UTC
SynCED IDCED0311510
Secondary Accession Numbers
  • CHEM357282
Identification
Common Name2-amino-3-(thiophen-3-ylsulfonylamino)propanoic acid
ClassSmall Molecule
Description
2-amino-3-(thiophen-3-ylsulfonylamino)propanoic acid is a chemical compound with the formula C7H10N2O4S2. It has an average molecular weight of 250.30 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC7H10N2O4S2
Average Molecular MassNot Available
Monoisotopic Mass250.008 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESC1=CSC=C1S(=O)(=O)NCC(C(=O)O)N
InChI IdentifierInChI=1S/C7H10N2O4S2/c8-6(7(10)11)3-9-15(12,13)5-1-2-14-4-5/h1-2,4,6,9H,3,8H2,(H,10,11)
InChI KeyYCXSFSLFKYDQTO-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
3261.0 Log mg/kg [1800:5800]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
Matrix metalloproteinase-9 structureClick to view 3D structureMatrix metalloproteinase-9P14780HumansPredicted (SEA)
Prediction Confidence Score
0.32
Applicability Domain
0.36
Statistical Significance
0.0291
Supporting Reference Compounds
292
E-value
226.619
Matrilysin structureClick to view 3D structureMatrilysinP09237HumansPredicted (SEA)
Prediction Confidence Score
0.31
Applicability Domain
0.36
Statistical Significance
0.0193
Supporting Reference Compounds
105
E-value
150.249
Kynureninase structureClick to view 3D structureKynureninaseQ16719HumansPredicted (SEA)
Prediction Confidence Score
0.304
Applicability Domain
0.333
Statistical Significance
2.00e-04
Supporting Reference Compounds
2
E-value
1.55698
Click to view 3D structureLeucine--tRNA ligaseQ2FXH2Staphylococcus aureus (strain NCTC 8325)Predicted (SEA)
Prediction Confidence Score
0.304
Applicability Domain
0.304
Statistical Significance
0.0016
Supporting Reference Compounds
1
E-value
12.378
Click to view 3D structureAspartate-semialdehyde dehydrogenaseO25801Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacterpylori)Predicted (SEA)
Prediction Confidence Score
0.302
Applicability Domain
0.302
Statistical Significance
2.60e-04
Supporting Reference Compounds
1
E-value
2.02408
Glutamate receptor ionotropic, kainate 3 structureClick to view 3D structureGlutamate receptor ionotropic, kainate 3P42264Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.299
Applicability Domain
0.308
Statistical Significance
7.40e-04
Supporting Reference Compounds
26
E-value
5.76084
Glutamate receptor ionotropic, kainate 1 structureClick to view 3D structureGlutamate receptor ionotropic, kainate 1P22756Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.29
Applicability Domain
0.308
Statistical Significance
9.10e-04
Supporting Reference Compounds
45
E-value
7.08428
72 kDa type IV collagenase structureClick to view 3D structure72 kDa type IV collagenaseP08253HumansPredicted (SEA)
Prediction Confidence Score
0.29
Applicability Domain
0.314
Statistical Significance
0.0547
Supporting Reference Compounds
400
E-value
426.147
Click to view 3D structureAsc-type amino acid transporter 1P63116RatPredicted (SEA)
Prediction Confidence Score
0.289
Applicability Domain
0.289 Low confidence
Statistical Significance
3.90e-04
Supporting Reference Compounds
2
E-value
3.03612
Excitatory amino acid transporter 3 structureClick to view 3D structureExcitatory amino acid transporter 3P43005HumansPredicted (SEA)
Prediction Confidence Score
0.284
Applicability Domain
0.3
Statistical Significance
0.0014
Supporting Reference Compounds
13
E-value
10.5875
Excitatory amino acid transporter 1 structureClick to view 3D structureExcitatory amino acid transporter 1P43003HumansPredicted (SEA)
Prediction Confidence Score
0.281
Applicability Domain
0.3
Statistical Significance
6.10e-04
Supporting Reference Compounds
11
E-value
4.7488
Collagenase 3 structureClick to view 3D structureCollagenase 3P45452HumansPredicted (SEA)
Prediction Confidence Score
0.281
Applicability Domain
0.3
Statistical Significance
0.0484
Supporting Reference Compounds
269
E-value
376.557
Tyrosine 3-monooxygenase structureClick to view 3D structureTyrosine 3-monooxygenaseP04177Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.28
Applicability Domain
0.28 Low confidence
Statistical Significance
7.50e-04
Supporting Reference Compounds
1
E-value
5.83869
Matrix metalloproteinase-14 structureClick to view 3D structureMatrix metalloproteinase-14P50281HumansPredicted (SEA)
Prediction Confidence Score
0.277
Applicability Domain
0.3
Statistical Significance
0.0451
Supporting Reference Compounds
198
E-value
350.789
Metabotropic glutamate receptor 2 structureClick to view 3D structureMetabotropic glutamate receptor 2Q14416HumansPredicted (SEA)
Prediction Confidence Score
0.277
Applicability Domain
0.3
Statistical Significance
0.0061
Supporting Reference Compounds
85
E-value
47.5659
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
0.276
Applicability Domain
0.282 Low confidence
Statistical Significance
4.70e-04
Supporting Reference Compounds
3
E-value
3.65891
Interstitial collagenase structureClick to view 3D structureInterstitial collagenaseP03956HumansPredicted (SEA)
Prediction Confidence Score
0.275
Applicability Domain
0.3
Statistical Significance
0.0545
Supporting Reference Compounds
258
E-value
424.668
Stromelysin-1 structureClick to view 3D structureStromelysin-1P08254HumansPredicted (SEA)
Prediction Confidence Score
0.275
Applicability Domain
0.3
Statistical Significance
0.0506
Supporting Reference Compounds
200
E-value
394.073
Click to view 3D structureKynureninaseP70712Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.275
Applicability Domain
0.275 Low confidence
Statistical Significance
9.70e-04
Supporting Reference Compounds
1
E-value
7.55137
Glutamate receptor 2 structureClick to view 3D structureGlutamate receptor 2P19491Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.274
Applicability Domain
0.291 Low confidence
Statistical Significance
5.90e-04
Supporting Reference Compounds
34
E-value
4.5931
A disintegrin and metalloproteinase with thrombospondin motifs 4 structureClick to view 3D structureA disintegrin and metalloproteinase with thrombospondin motifs 4O75173HumansPredicted (SEA)
Prediction Confidence Score
0.274
Applicability Domain
0.314
Statistical Significance
0.0124
Supporting Reference Compounds
79
E-value
96.2995
Glutamate receptor ionotropic, kainate 1 structureClick to view 3D structureGlutamate receptor ionotropic, kainate 1P39086HumansPredicted (SEA)
Prediction Confidence Score
0.271
Applicability Domain
0.286 Low confidence
Statistical Significance
8.40e-04
Supporting Reference Compounds
31
E-value
6.53933
Macrophage metalloelastase structureClick to view 3D structureMacrophage metalloelastaseP39900HumansPredicted (SEA)
Prediction Confidence Score
0.27
Applicability Domain
0.3
Statistical Significance
0.0477
Supporting Reference Compounds
136
E-value
371.419
Neutrophil collagenase structureClick to view 3D structureNeutrophil collagenaseP22894HumansPredicted (SEA)
Prediction Confidence Score
0.27
Applicability Domain
0.3
Statistical Significance
0.0567
Supporting Reference Compounds
176
E-value
441.561
Glutamate receptor 1 structureClick to view 3D structureGlutamate receptor 1P42261HumansPredicted (SEA)
Prediction Confidence Score
0.269
Applicability Domain
0.286 Low confidence
Statistical Significance
0.0013
Supporting Reference Compounds
37
E-value
10.1204
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available