Seleninobenzoic acid (CED0000171)

Record Information
Version1.0
Creation Date2026-04-05 18:13:40 UTC
Update Date2026-04-05 18:13:40 UTC
SynCED IDCED0000171
Secondary Accession Numbers
  • CHEM105757
Identification
Common NameSeleninobenzoic acid
ClassSmall Molecule
Description
Seleninobenzoic acid belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. It is a member of the benzenoids superclass with the chemical formula C6H6O2Se.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC6H6O2Se
Average Molecular MassNot Available
Monoisotopic MassNot Available
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1/C7H6O4Se/c8-7(9)5-3-1-2-4-6(5)12(10)11/h1-4H,(H,8,9)(H,10,11)
InChI KeyHMAYFGUUCTWIMX-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
2360.0 Log mg/kg [1300:4200]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
No Sources linked to this compound
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Nicotinate phosphoribosyltransferase structureClick to view 3D structureNicotinate phosphoribosyltransferaseQ6XQN6HumansPredicted (SEA)
Prediction Confidence Score
0.393
Applicability Domain
0.481
Statistical Significance
3.00e-05
Supporting Reference Compounds
12
E-value
0.233548
Click to view 3D structureAdvanced glycosylation end product-specific receptorQ63495Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.375
Applicability Domain
0.375
Statistical Significance
6.00e-05
Supporting Reference Compounds
1
E-value
0.467095
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)
Prediction Confidence Score
0.355
Applicability Domain
0.481
Statistical Significance
0.0114
Supporting Reference Compounds
332
E-value
88.5146
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.351
Applicability Domain
0.481
Statistical Significance
0.0168
Supporting Reference Compounds
472
E-value
130.865
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.35
Applicability Domain
0.481
Statistical Significance
0.0147
Supporting Reference Compounds
407
E-value
114.438
Aldo-keto reductase family 1 member C3 structureClick to view 3D structureAldo-keto reductase family 1 member C3P42330HumansPredicted (SEA)
Prediction Confidence Score
0.345
Applicability Domain
0.406
Statistical Significance
0.0019
Supporting Reference Compounds
57
E-value
14.8692
Aldo-keto reductase family 1 member C2 structureClick to view 3D structureAldo-keto reductase family 1 member C2P52895HumansPredicted (SEA)
Prediction Confidence Score
0.345
Applicability Domain
0.406
Statistical Significance
0.0016
Supporting Reference Compounds
40
E-value
12.6116
Prostaglandin G/H synthase 2 structureClick to view 3D structureProstaglandin G/H synthase 2P35354HumansPredicted (SEA)
Prediction Confidence Score
0.333
Applicability Domain
0.394
Statistical Significance
0.0073
Supporting Reference Compounds
201
E-value
57.1413
Click to view 3D structureCarbonic anhydrase 15Q99N23Mus musculusPredicted (SEA)
Prediction Confidence Score
0.329
Applicability Domain
0.481
Statistical Significance
0.0044
Supporting Reference Compounds
78
E-value
34.4094
Prostaglandin G/H synthase 1 structureClick to view 3D structureProstaglandin G/H synthase 1P23219HumansPredicted (SEA)
Prediction Confidence Score
0.329
Applicability Domain
0.394
Statistical Significance
0.0049
Supporting Reference Compounds
136
E-value
38.3797
Click to view 3D structureCocaine esteraseO00748HumansPredicted (SEA)
Prediction Confidence Score
0.325
Applicability Domain
0.429
Statistical Significance
4.90e-04
Supporting Reference Compounds
40
E-value
3.81461
Liver carboxylesterase 1 structureClick to view 3D structureLiver carboxylesterase 1P23141HumansPredicted (SEA)
Prediction Confidence Score
0.321
Applicability Domain
0.429
Statistical Significance
0.0019
Supporting Reference Compounds
55
E-value
14.5578
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)
Prediction Confidence Score
0.319
Applicability Domain
0.406
Statistical Significance
0.0231
Supporting Reference Compounds
372
E-value
179.832
Click to view 3D structureMetallo beta-lactamaseQ6TUJ4Pseudomonas aeruginosaPredicted (SEA)
Prediction Confidence Score
0.316
Applicability Domain
0.316
Statistical Significance
1.50e-04
Supporting Reference Compounds
1
E-value
1.16774
Eukaryotic peptide chain release factor GTP-binding subunit structureClick to view 3D structureEukaryotic peptide chain release factor GTP-binding subunitP05453Saccharomyces cerevisiaePredicted (SEA)
Prediction Confidence Score
0.302
Applicability Domain
0.302
Statistical Significance
4.00e-05
Supporting Reference Compounds
1
E-value
0.311397
p-hydroxybenzoate hydroxylase structureClick to view 3D structurep-hydroxybenzoate hydroxylaseP00438Pseudomonas fluorescensPredicted (SEA)
Prediction Confidence Score
0.3
Applicability Domain
0.3
Statistical Significance
0.0033
Supporting Reference Compounds
1
E-value
25.6124
Prostaglandin G/H synthase 1 structureClick to view 3D structureProstaglandin G/H synthase 1P05979Ovis ariesPredicted (SEA)
Prediction Confidence Score
0.298
Applicability Domain
0.394
Statistical Significance
0.007
Supporting Reference Compounds
106
E-value
54.6502
Aldo-keto reductase family 1 member C1 structureClick to view 3D structureAldo-keto reductase family 1 member C1Q04828HumansPredicted (SEA)
Prediction Confidence Score
0.295
Applicability Domain
0.342
Statistical Significance
0.002
Supporting Reference Compounds
29
E-value
15.8034
Transthyretin structureClick to view 3D structureTransthyretinP02766HumansPredicted (SEA)
Prediction Confidence Score
0.289
Applicability Domain
0.325
Statistical Significance
0.0046
Supporting Reference Compounds
55
E-value
36.122
HTH-type transcriptional regulator MgrA structureClick to view 3D structureHTH-type transcriptional regulator MgrAP0C1S0Staphylococcus aureusPredicted (SEA)
Prediction Confidence Score
0.286
Applicability Domain
0.286 Low confidence
Statistical Significance
8.00e-04
Supporting Reference Compounds
1
E-value
6.22794
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)
Prediction Confidence Score
0.285
Applicability Domain
0.324
Statistical Significance
0.0296
Supporting Reference Compounds
242
E-value
230.356
Carbonic anhydrase 14 structureClick to view 3D structureCarbonic anhydrase 14Q9ULX7HumansPredicted (SEA)
Prediction Confidence Score
0.282
Applicability Domain
0.324
Statistical Significance
0.0248
Supporting Reference Compounds
172
E-value
192.988
Click to view 3D structureCarbonic anhydrase 5A, mitochondrialP35218HumansPredicted (SEA)
Prediction Confidence Score
0.282
Applicability Domain
0.324
Statistical Significance
0.0258
Supporting Reference Compounds
165
E-value
200.54
Lysine-specific demethylase 4E structureClick to view 3D structureLysine-specific demethylase 4EB2RXH2HumansPredicted (SEA)
Prediction Confidence Score
0.282
Applicability Domain
0.286 Low confidence
Statistical Significance
0.0034
Supporting Reference Compounds
39
E-value
26.7023
Lysine-specific demethylase 4C structureClick to view 3D structureLysine-specific demethylase 4CQ9H3R0HumansPredicted (SEA)
Prediction Confidence Score
0.281
Applicability Domain
0.293 Low confidence
Statistical Significance
0.0059
Supporting Reference Compounds
72
E-value
46.0089
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available