(2-Ethylhexanoato)phenylmercury (CED0182388)

Record Information
Version1.0
Creation Date2026-04-06 07:50:28 UTC
Update Date2026-08-24 17:08:28 UTC
Accession NumberCHEM120031
Identification
Common Name(2-Ethylhexanoato)phenylmercury
ClassSmall Molecule
Description
(2-Ethylhexanoato)phenylmercury belongs to the fatty acids and conjugates, a subclass of fatty acyls within the organic compounds. This lipid and lipid-like molecule has the formula C14H20HgO2 and an average molecular weight of 420.90 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC14H20HgO2
Average Molecular Mass420.900 g/mol
Monoisotopic Mass422.117 g/mol
CAS Registry Number13302-00-6
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCCCC(CC)C(=O)O[Hg]C1=CC=CC=C1
InChI IdentifierInChI=1/C8H16O2.C6H5.Hg/c1-3-5-6-7(4-2)8(9)10;1-2-4-6-5-3-1;/h7H,3-6H2,1-2H3,(H,9,10);1-5H;/q;;+1/p-1
InChI KeyXVASSELVJHUACE-UHFFFAOYSA-M
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
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity ValuesNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
597ChemosterilantsAgriculture & land managementNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structurePeptide deformylaseQ9JN24Escherichia coliPredicted (SEA)2.10193
Interstitial collagenase structureClick to view 3D structureInterstitial collagenaseP03956HumansPredicted (SEA)182.011
Cathepsin K structureClick to view 3D structureCathepsin KP43235HumansPredicted (SEA)149.237
Click to view 3D structureAlkaline ceramidase 2Q5QJU3HumansPredicted (SEA)16.8154
Polyunsaturated fatty acid 5-lipoxygenase structureClick to view 3D structurePolyunsaturated fatty acid 5-lipoxygenaseP09917HumansPredicted (SEA)102.138
Peroxisome proliferator-activated receptor gamma structureClick to view 3D structurePeroxisome proliferator-activated receptor gammaP37231HumansPredicted (SEA)152.351
Prostaglandin E synthase structureClick to view 3D structureProstaglandin E synthaseO14684HumansPredicted (SEA)23.9776
UDP-3-O-acyl-N-acetylglucosamine deacetylase structureClick to view 3D structureUDP-3-O-acyl-N-acetylglucosamine deacetylaseO67648Aquifex aeolicus (strain VF5)Predicted (SEA)42.1943
Procathepsin L structureClick to view 3D structureProcathepsin LP07711HumansPredicted (SEA)251.531
Cathepsin G structureClick to view 3D structureCathepsin GP08311HumansPredicted (SEA)81.1189
Click to view 3D structureChymotrypsin-like elastase family member 2AP08419Sus scrofaPredicted (SEA)24.4447
Collagenase 3 structureClick to view 3D structureCollagenase 3P45452HumansPredicted (SEA)323.853
Phospholipase C structureClick to view 3D structurePhospholipase CP09598Bacillus cereusPredicted (SEA)3.65891
Macrophage metalloelastase structureClick to view 3D structureMacrophage metalloelastaseP39900HumansPredicted (SEA)258.226
Peroxisome proliferator-activated receptor alpha structureClick to view 3D structurePeroxisome proliferator-activated receptor alphaQ07869HumansPredicted (SEA)183.491
Ceramide transfer protein structureClick to view 3D structureCeramide transfer proteinQ9Y5P4HumansPredicted (SEA)17.1268
Click to view 3D structureChymotrypsinogen BP00767Bos taurusPredicted (SEA)15.9591
Muscarinic acetylcholine receptor M1 structureClick to view 3D structureMuscarinic acetylcholine receptor M1P11229HumansPredicted (SEA)447.244
Muscarinic acetylcholine receptor M3 structureClick to view 3D structureMuscarinic acetylcholine receptor M3P20309HumansPredicted (SEA)331.638
Muscarinic acetylcholine receptor M4 structureClick to view 3D structureMuscarinic acetylcholine receptor M4P08173HumansPredicted (SEA)324.476
Click to view 3D structureNeprilysinP07861Rattus norvegicusPredicted (SEA)149.393
Chymase structureClick to view 3D structureChymaseP23946HumansPredicted (SEA)82.7537
Cathepsin S structureClick to view 3D structureCathepsin SP25774HumansPredicted (SEA)276.988
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)692.235
Stromelysin-1 structureClick to view 3D structureStromelysin-1P08254HumansPredicted (SEA)424.278
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available