Ethylbenzenesulphonic acid (CED0000173)

Record Information
Version1.0
Creation Date2026-04-05 21:35:41 UTC
Update Date2026-04-05 21:35:41 UTC
SynCED IDCED0000173
Secondary Accession Numbers
  • CHEM109904
Identification
Common NameEthylbenzenesulphonic acid
ClassSmall Molecule
Description
Ethylbenzenesulphonic acid (C8H10O3S) is a chemical compound. Ethylbenzenesulphonic acid belongs to the benzenesulfonic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. It is further classified under the superclass of benzenoids.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC8H10O3S
Average Molecular MassNot Available
Monoisotopic Mass186.035 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1/C8H10O3S/c1-2-7-5-3-4-6-8(7)12(9,10)11/h3-6H,2H2,1H3,(H,9,10,11)
InChI KeyUGHLEPMKNSFGCE-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 ValuesNot 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
72 kDa type IV collagenase structureClick to view 3D structure72 kDa type IV collagenaseP08253HumansPredicted (SEA)
Prediction Confidence Score
0.295
Applicability Domain
0.326
Statistical Significance
0.0489
Supporting Reference Compounds
400
E-value
380.838
Macrophage metalloelastase structureClick to view 3D structureMacrophage metalloelastaseP39900HumansPredicted (SEA)
Prediction Confidence Score
0.295
Applicability Domain
0.326
Statistical Significance
0.0247
Supporting Reference Compounds
136
E-value
192.443
Collagenase 3 structureClick to view 3D structureCollagenase 3P45452HumansPredicted (SEA)
Prediction Confidence Score
0.295
Applicability Domain
0.326
Statistical Significance
0.0323
Supporting Reference Compounds
269
E-value
251.142
Matrix metalloproteinase-14 structureClick to view 3D structureMatrix metalloproteinase-14P50281HumansPredicted (SEA)
Prediction Confidence Score
0.294
Applicability Domain
0.326
Statistical Significance
0.0324
Supporting Reference Compounds
198
E-value
252.154
Matrix metalloproteinase-9 structureClick to view 3D structureMatrix metalloproteinase-9P14780HumansPredicted (SEA)
Prediction Confidence Score
0.291
Applicability Domain
0.326
Statistical Significance
0.0494
Supporting Reference Compounds
292
E-value
384.497
Neutrophil collagenase structureClick to view 3D structureNeutrophil collagenaseP22894HumansPredicted (SEA)
Prediction Confidence Score
0.286
Applicability Domain
0.326
Statistical Significance
0.0401
Supporting Reference Compounds
176
E-value
312.253
Matrix metalloproteinase-16 structureClick to view 3D structureMatrix metalloproteinase-16P51512HumansPredicted (SEA)
Prediction Confidence Score
0.286
Applicability Domain
0.326
Statistical Significance
0.0069
Supporting Reference Compounds
29
E-value
53.5603
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)
Prediction Confidence Score
0.285
Applicability Domain
0.323
Statistical Significance
0.0459
Supporting Reference Compounds
332
E-value
357.172
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)
Prediction Confidence Score
0.284
Applicability Domain
0.323
Statistical Significance
0.0303
Supporting Reference Compounds
242
E-value
236.039
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)
Prediction Confidence Score
0.279
Applicability Domain
0.323
Statistical Significance
0.0599
Supporting Reference Compounds
372
E-value
466.239
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.278
Applicability Domain
0.323
Statistical Significance
0.0784
Supporting Reference Compounds
472
E-value
610.571
Stromelysin-1 structureClick to view 3D structureStromelysin-1P08254HumansPredicted (SEA)
Prediction Confidence Score
0.277
Applicability Domain
0.313
Statistical Significance
0.0484
Supporting Reference Compounds
200
E-value
376.79
Carbonic anhydrase 6 structureClick to view 3D structureCarbonic anhydrase 6P23280HumansPredicted (SEA)
Prediction Confidence Score
0.275
Applicability Domain
0.323
Statistical Significance
0.0212
Supporting Reference Compounds
151
E-value
164.729
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.274
Applicability Domain
0.323
Statistical Significance
0.0723
Supporting Reference Compounds
407
E-value
562.694
Interstitial collagenase structureClick to view 3D structureInterstitial collagenaseP03956HumansPredicted (SEA)
Prediction Confidence Score
0.274
Applicability Domain
0.313
Statistical Significance
0.0569
Supporting Reference Compounds
258
E-value
443.196
Click to view 3D structure1-deoxy-D-xylulose-5-phosphate synthaseQ4QKG6Haemophilus influenzae (strain 86-028NP)Predicted (SEA)
Prediction Confidence Score
0.273
Applicability Domain
0.279 Low confidence
Statistical Significance
5.50e-04
Supporting Reference Compounds
2
E-value
4.28171
Click to view 3D structureCarbonic anhydrase 5B, mitochondrialQ9Y2D0HumansPredicted (SEA)
Prediction Confidence Score
0.268
Applicability Domain
0.323
Statistical Significance
0.0269
Supporting Reference Compounds
157
E-value
209.259
Carbonic anhydrase 14 structureClick to view 3D structureCarbonic anhydrase 14Q9ULX7HumansPredicted (SEA)
Prediction Confidence Score
0.258
Applicability Domain
0.323
Statistical Significance
0.0486
Supporting Reference Compounds
172
E-value
378.503
Click to view 3D structureAlpha carbonic anhydraseB5SU02Stylophora pistillataPredicted (SEA)
Prediction Confidence Score
0.258
Applicability Domain
0.323
Statistical Significance
0.0081
Supporting Reference Compounds
43
E-value
63.2136
Click to view 3D structureCarbonic anhydraseC0IX24Stylophora pistillataPredicted (SEA)
Prediction Confidence Score
0.258
Applicability Domain
0.323
Statistical Significance
0.0081
Supporting Reference Compounds
41
E-value
63.2136
Click to view 3D structureCarbonic anhydrase 15Q99N23Mus musculusPredicted (SEA)
Prediction Confidence Score
0.257
Applicability Domain
0.323
Statistical Significance
0.0207
Supporting Reference Compounds
78
E-value
161.148
4'-phosphopantetheinyl transferase PptT structureClick to view 3D structure4'-phosphopantetheinyl transferase PptTO33336Mycobacterium tuberculosisPredicted (SEA)
Prediction Confidence Score
0.257
Applicability Domain
0.286 Low confidence
Statistical Significance
2.40e-04
Supporting Reference Compounds
3
E-value
1.86838
Click to view 3D structureCarbonate dehydrataseB2V8E3Sulfurihydrogenibium sp. (strain YO3AOP1)Predicted (SEA)
Prediction Confidence Score
0.256
Applicability Domain
0.323
Statistical Significance
0.0084
Supporting Reference Compounds
40
E-value
65.0819
Click to view 3D structureAstrosclerin-3A6YCJ1Astrosclera willeyanaPredicted (SEA)
Prediction Confidence Score
0.256
Applicability Domain
0.323
Statistical Significance
0.0087
Supporting Reference Compounds
44
E-value
67.5731
Click to view 3D structureCarbonic anhydraseO24855Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacterpylori)Predicted (SEA)
Prediction Confidence Score
0.256
Applicability Domain
0.323
Statistical Significance
0.0093
Supporting Reference Compounds
38
E-value
72.1662
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available