Trichloromethylbutenedioic acid (CED0000107)

Record Information
Version1.0
Creation Date2026-04-06 16:39:05 UTC
Update Date2026-04-06 16:39:05 UTC
Accession NumberCHEM127615
Identification
Common NameTrichloromethylbutenedioic acid
ClassSmall Molecule
Description
Trichloromethylbutenedioic acid is a chemical compound with the formula C5H3Cl3O4.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC5H3Cl3O4
Average Molecular MassNot Available
Monoisotopic Mass231.910 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C5H3Cl3O4/c6-5(7,8)2(4(11)12)1-3(9)10/h1H,(H,9,10)(H,11,12)/b2-1-
InChI KeyHEMHNSGLFDOIHT-UPHRSURJSA-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
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
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureType IV secretion-like conjugative transfer relaxase protein TraIB1LRJ1Escherichia coli (strain SMS-3-5 / SECEC)Predicted (SEA)1.08989
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)4880.99
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)6409.48
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)5834.8
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)6067.33
Click to view 3D structureRetinoic acid receptor RXR-alphaP28700Mus musculusPredicted (SEA)284.15
Click to view 3D structureRetinoic acid receptor alphaP11416Mus musculusPredicted (SEA)268.346
Click to view 3D structureRetinoic acid receptor gammaP18911Mus musculusPredicted (SEA)303.612
Click to view 3D structureRetinoic acid receptor betaP22605Mus musculusPredicted (SEA)286.641
Retinoic acid receptor RXR-alpha structureClick to view 3D structureRetinoic acid receptor RXR-alphaP19793HumansPredicted (SEA)4497.19
Click to view 3D structureCellular retinoic acid-binding protein 1P62965Mus musculusPredicted (SEA)5.13805
Click to view 3D structureCellular retinoic acid-binding protein 2P22935Mus musculusPredicted (SEA)5.13805
Click to view 3D structureGag-Pol polyproteinQ7ZJM1Human immunodeficiency virus 1Predicted (SEA)4281.86
Retinoic acid receptor gamma structureClick to view 3D structureRetinoic acid receptor gammaP13631HumansPredicted (SEA)4001.29
Click to view 3D structureRetinoic acid receptor RXR-gammaP28705Mus musculusPredicted (SEA)855.641
Retinoic acid receptor beta structureClick to view 3D structureRetinoic acid receptor betaP10826HumansPredicted (SEA)3720.8
Retinoic acid receptor alpha structureClick to view 3D structureRetinoic acid receptor alphaP10276HumansPredicted (SEA)4578.7
Retinoic acid receptor RXR-gamma structureClick to view 3D structureRetinoic acid receptor RXR-gammaP48443HumansPredicted (SEA)2670.46
Olfactory receptor 51E2 structureClick to view 3D structureOlfactory receptor 51E2Q9H255HumansPredicted (SEA)103.462
Metallo-beta-lactamase type 2 structureClick to view 3D structureMetallo-beta-lactamase type 2P04190Bacillus cereusPredicted (SEA)77.0707
Click to view 3D structureRetinoic acid receptor RXR-betaP28704Mus musculusPredicted (SEA)1175.45
Click to view 3D structureCarbonic anhydrase 2Q3I4V7Cryptococcus neoformansPredicted (SEA)3994.91
Click to view 3D structureMetabotropic glutamate receptor 6P35349Rattus norvegicusPredicted (SEA)1983.05
Retinoic acid receptor RXR-beta structureClick to view 3D structureRetinoic acid receptor RXR-betaP28702HumansPredicted (SEA)3507.96
Click to view 3D structureMetabotropic glutamate receptor 2P31421Rattus norvegicusPredicted (SEA)5782.64
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available