Sodium hexadecane-1-sulphonate (CED0073529)

Record Information
Version1.0
Creation Date2026-04-05 20:16:45 UTC
Update Date2026-04-05 20:16:45 UTC
SynCED IDCED0073529
Secondary Accession Numbers
  • CHEM108537
Identification
Common NameSodium hexadecane-1-sulphonate
ClassSmall Molecule
Description
Sodium hexadecane-1-sulphonate belongs to the organosulfonic acids and derivatives, a subclass of organic sulfonic acids and derivatives within the organic compounds. It is characterized by the chemical formula C16H34O3S.Na and is further classified within the superclass of organic acids and derivatives.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC16H34O3S.Na
Average Molecular MassNot Available
Monoisotopic MassNot Available
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1/6C10H22O3S.6Na/c6*1-2-3-4-5-6-7-8-9-10-14(11,12)13;;;;;;/h6*2-10H2,1H3,(H,11,12,13);;;;;;/q;;;;;;6*+1/p-6
InChI KeyWDAUHVCKBXGWBW-UHFFFAOYSA-H
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
Click to view 3D structureFatty-acid amide hydrolase 1O00519HumansPredicted (SEA)
Prediction Confidence Score
0.352
Applicability Domain
0.542
Statistical Significance
0.0048
Supporting Reference Compounds
106
E-value
37.2898
Click to view 3D structureCannabinoid receptor 1P20272Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.343
Applicability Domain
0.542
Statistical Significance
0.0038
Supporting Reference Compounds
83
E-value
29.5049
Click to view 3D structureFatty-acid amide hydrolase 1O08914Mus musculusPredicted (SEA)
Prediction Confidence Score
0.342
Applicability Domain
0.542
Statistical Significance
0.0023
Supporting Reference Compounds
46
E-value
18.2946
Peroxisome proliferator-activated receptor alpha structureClick to view 3D structurePeroxisome proliferator-activated receptor alphaQ07869HumansPredicted (SEA)
Prediction Confidence Score
0.33
Applicability Domain
0.379
Statistical Significance
0.007
Supporting Reference Compounds
127
E-value
54.6502
Liver carboxylesterase 1 structureClick to view 3D structureLiver carboxylesterase 1P23141HumansPredicted (SEA)
Prediction Confidence Score
0.328
Applicability Domain
0.394
Statistical Significance
0.0016
Supporting Reference Compounds
55
E-value
12.8451
All-trans-retinol dehydrogenase [NAD(+)] ADH7 structureClick to view 3D structureAll-trans-retinol dehydrogenase [NAD(+)] ADH7P40394HumansPredicted (SEA)
Prediction Confidence Score
0.321
Applicability Domain
0.321
Statistical Significance
2.30e-04
Supporting Reference Compounds
1
E-value
1.79053
Click to view 3D structurePhospholipase BQ9P8P2Cryptococcus neoformansPredicted (SEA)
Prediction Confidence Score
0.32
Applicability Domain
0.32
Statistical Significance
5.00e-05
Supporting Reference Compounds
1
E-value
0.389246
Click to view 3D structureCannabinoid receptor 1P47746Mus musculusPredicted (SEA)
Prediction Confidence Score
0.316
Applicability Domain
0.542
Statistical Significance
0.0023
Supporting Reference Compounds
42
E-value
17.7496
Macrophage scavenger receptor types I and II structureClick to view 3D structureMacrophage scavenger receptor types I and IIP30204Mus musculusPredicted (SEA)
Prediction Confidence Score
0.311
Applicability Domain
0.311
Statistical Significance
6.10e-04
Supporting Reference Compounds
1
E-value
4.7488
Tyrosine-protein phosphatase non-receptor type 1 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 1P18031HumansPredicted (SEA)
Prediction Confidence Score
0.309
Applicability Domain
0.333
Statistical Significance
0.0081
Supporting Reference Compounds
197
E-value
62.8243
Click to view 3D structureLiver carboxylesterase B-1Q63010Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.308
Applicability Domain
0.394
Statistical Significance
1.10e-04
Supporting Reference Compounds
6
E-value
0.856341
Fatty-acid amide hydrolase 1 structureClick to view 3D structureFatty-acid amide hydrolase 1P97612Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.306
Applicability Domain
0.542
Statistical Significance
0.008
Supporting Reference Compounds
102
E-value
62.1237
G-protein coupled receptor 84 structureClick to view 3D structureG-protein coupled receptor 84Q9NQS5HumansPredicted (SEA)
Prediction Confidence Score
0.305
Applicability Domain
0.333
Statistical Significance
9.50e-04
Supporting Reference Compounds
15
E-value
7.39568
Peroxisome proliferator-activated receptor delta structureClick to view 3D structurePeroxisome proliferator-activated receptor deltaQ03181HumansPredicted (SEA)
Prediction Confidence Score
0.299
Applicability Domain
0.333
Statistical Significance
0.0099
Supporting Reference Compounds
89
E-value
77.1486
Liver carboxylesterase structureClick to view 3D structureLiver carboxylesteraseQ29550Sus scrofaPredicted (SEA)
Prediction Confidence Score
0.297
Applicability Domain
0.394
Statistical Significance
4.30e-04
Supporting Reference Compounds
20
E-value
3.34752
Transient receptor potential cation channel subfamily V member 2 structureClick to view 3D structureTransient receptor potential cation channel subfamily V member 2Q9WUD2Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.295
Applicability Domain
0.333
Statistical Significance
0.0025
Supporting Reference Compounds
21
E-value
19.1509
Click to view 3D structureCAI-1 autoinducer sensor kinase/phosphatase CqsSQ9KM66Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)Predicted (SEA)
Prediction Confidence Score
0.281
Applicability Domain
0.281 Low confidence
Statistical Significance
7.50e-04
Supporting Reference Compounds
1
E-value
5.83869
Geranylgeranyl pyrophosphate synthase structureClick to view 3D structureGeranylgeranyl pyrophosphate synthaseO95749HumansPredicted (SEA)
Prediction Confidence Score
0.28
Applicability Domain
0.281 Low confidence
Statistical Significance
6.60e-04
Supporting Reference Compounds
15
E-value
5.13805
Click to view 3D structureFarnesyl pyrophosphate synthaseQ0GKD7Leishmania donovaniPredicted (SEA)
Prediction Confidence Score
0.28
Applicability Domain
0.281 Low confidence
Statistical Significance
6.20e-04
Supporting Reference Compounds
14
E-value
4.82665
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)
Prediction Confidence Score
0.279
Applicability Domain
0.379
Statistical Significance
0.0526
Supporting Reference Compounds
332
E-value
409.72
Click to view 3D structureCocaine esteraseO00748HumansPredicted (SEA)
Prediction Confidence Score
0.276
Applicability Domain
0.29 Low confidence
Statistical Significance
0.0017
Supporting Reference Compounds
40
E-value
13.6236
Peroxisome proliferator-activated receptor gamma structureClick to view 3D structurePeroxisome proliferator-activated receptor gammaP37231HumansPredicted (SEA)
Prediction Confidence Score
0.276
Applicability Domain
0.333
Statistical Significance
0.0382
Supporting Reference Compounds
192
E-value
297.54
Farnesyl pyrophosphate synthase structureClick to view 3D structureFarnesyl pyrophosphate synthaseP14324HumansPredicted (SEA)
Prediction Confidence Score
0.273
Applicability Domain
0.281 Low confidence
Statistical Significance
8.90e-04
Supporting Reference Compounds
22
E-value
6.92858
Click to view 3D structureMonoglyceride lipaseO35678Mus musculusPredicted (SEA)
Prediction Confidence Score
0.272
Applicability Domain
0.542
Statistical Significance
0.0049
Supporting Reference Compounds
34
E-value
38.3797
Juvenile hormone esterase structureClick to view 3D structureJuvenile hormone esteraseQ9GPG0Manduca sextaPredicted (SEA)
Prediction Confidence Score
0.27
Applicability Domain
0.29 Low confidence
Statistical Significance
5.80e-04
Supporting Reference Compounds
2
E-value
4.51525
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available