Tribromomethylbutenedioic acid (CED0000123)

Record Information

Version

1.0

Creation Date

2026-04-06 16:42:09 UTC

Update Date

2026-04-06 16:42:09 UTC

SynCED ID

CED0000123

Secondary Accession Numbers

CHEM127687

Identification

Common Name

Tribromomethylbutenedioic acid

Class

Small Molecule

Description

Tribromomethylbutenedioic acid is a chemical compound with the formula C5H3Br3O4.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₅H₃Br₃O₄

Average Molecular Mass

Not Available

Monoisotopic Mass

363.758 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C5H3Br3O4/c6-5(7,8)2(4(11)12)1-3(9)10/h1H,(H,9,10)(H,11,12)/b2-1-

InChI Key

OVGAQVRQDRGATB-UPHRSURJSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
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

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.217 Applicability Domain 0.258 Low confidence Statistical Significance 0.3386 Supporting Reference Compounds 372 E-value 2636.13
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.21 Applicability Domain 0.258 Low confidence Statistical Significance 0.4741 Supporting Reference Compounds 472 E-value 3690.68
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.21 Applicability Domain 0.258 Low confidence Statistical Significance 0.3855 Supporting Reference Compounds 332 E-value 3001.32
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.21 Applicability Domain 0.258 Low confidence Statistical Significance 0.4206 Supporting Reference Compounds 407 E-value 3274.26
Click to view 3D structure	Gag-Pol polyprotein	Q7ZJM1	Human immunodeficiency virus 1	Predicted (SEA)	Prediction Confidence Score 0.199 Applicability Domain 0.243 Low confidence Statistical Significance 0.1416 Supporting Reference Compounds 96 E-value 1102.58
Click to view 3D structure	Retinoic acid receptor RXR-alpha	P19793	Humans	Predicted (SEA)	Prediction Confidence Score 0.187 Applicability Domain 0.2 Low confidence Statistical Significance 0.2947 Supporting Reference Compounds 82 E-value 2294.37
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	Prediction Confidence Score 0.187 Applicability Domain 0.219 Low confidence Statistical Significance 0.572 Supporting Reference Compounds 242 E-value 4452.9
Click to view 3D structure	Carbonic anhydrase 14	Q9ULX7	Humans	Predicted (SEA)	Prediction Confidence Score 0.187 Applicability Domain 0.219 Low confidence Statistical Significance 0.4669 Supporting Reference Compounds 172 E-value 3634.47
Click to view 3D structure	Carbonic anhydrase 6	P23280	Humans	Predicted (SEA)	Prediction Confidence Score 0.186 Applicability Domain 0.219 Low confidence Statistical Significance 0.4322 Supporting Reference Compounds 151 E-value 3364.33
Click to view 3D structure	Carbonic anhydrase 5A, mitochondrial	P35218	Humans	Predicted (SEA)	Prediction Confidence Score 0.186 Applicability Domain 0.219 Low confidence Statistical Significance 0.4667 Supporting Reference Compounds 165 E-value 3633.61
Click to view 3D structure	Carbonic anhydrase 2	Q3I4V7	Cryptococcus neoformans	Predicted (SEA)	Prediction Confidence Score 0.185 Applicability Domain 0.258 Low confidence Statistical Significance 0.2047 Supporting Reference Compounds 60 E-value 1593.96
Click to view 3D structure	Phospho-2-dehydro-3-deoxyheptonate aldolase	C3TIE2	Escherichia coli	Predicted (SEA)	Prediction Confidence Score 0.184 Applicability Domain 0.184 Low confidence Statistical Significance 9.40e-04 Supporting Reference Compounds 1 E-value 7.31783
Click to view 3D structure	Retinoic acid receptor gamma	P13631	Humans	Predicted (SEA)	Prediction Confidence Score 0.183 Applicability Domain 0.2 Low confidence Statistical Significance 0.2528 Supporting Reference Compounds 52 E-value 1967.87
Click to view 3D structure	Carbonic anhydrase 5B, mitochondrial	Q9Y2D0	Humans	Predicted (SEA)	Prediction Confidence Score 0.181 Applicability Domain 0.219 Low confidence Statistical Significance 0.4575 Supporting Reference Compounds 157 E-value 3561.99
Click to view 3D structure	Carbonic anhydrase 3	P07451	Humans	Predicted (SEA)	Prediction Confidence Score 0.18 Applicability Domain 0.219 Low confidence Statistical Significance 0.3528 Supporting Reference Compounds 64 E-value 2746.68
Click to view 3D structure	Retinoic acid receptor RXR-gamma	P48443	Humans	Predicted (SEA)	Prediction Confidence Score 0.18 Applicability Domain 0.2 Low confidence Statistical Significance 0.1042 Supporting Reference Compounds 31 E-value 811.111
Click to view 3D structure	Retinoic acid receptor beta	P10826	Humans	Predicted (SEA)	Prediction Confidence Score 0.178 Applicability Domain 0.2 Low confidence Statistical Significance 0.2519 Supporting Reference Compounds 47 E-value 1961.41
Click to view 3D structure	Retinoic acid receptor alpha	P10276	Humans	Predicted (SEA)	Prediction Confidence Score 0.178 Applicability Domain 0.2 Low confidence Statistical Significance 0.3375 Supporting Reference Compounds 53 E-value 2627.64
Click to view 3D structure	Retinoic acid receptor RXR-gamma	P28705	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.177 Applicability Domain 0.2 Low confidence Statistical Significance 0.0445 Supporting Reference Compounds 20 E-value 346.585
Click to view 3D structure	Sortase A	Q8CM62	Streptococcus mutans	Predicted (SEA)	Prediction Confidence Score 0.176 Applicability Domain 0.176 Low confidence Statistical Significance 0.0308 Supporting Reference Compounds 1 E-value 239.62
Click to view 3D structure	Retinoic acid receptor RXR-alpha	P28700	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.176 Applicability Domain 0.196 Low confidence Statistical Significance 0.0266 Supporting Reference Compounds 17 E-value 207.39
Click to view 3D structure	Retinoic acid receptor alpha	P11416	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.176 Applicability Domain 0.196 Low confidence Statistical Significance 0.0257 Supporting Reference Compounds 16 E-value 200.15
Click to view 3D structure	Metallo-beta-lactamase type 2	P04190	Bacillus cereus	Predicted (SEA)	Prediction Confidence Score 0.174 Applicability Domain 0.235 Low confidence Statistical Significance 0.0028 Supporting Reference Compounds 4 E-value 21.7978
Click to view 3D structure	Retinoic acid receptor RXR-beta	P28704	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.174 Applicability Domain 0.2 Low confidence Statistical Significance 0.0537 Supporting Reference Compounds 19 E-value 418.362
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	Prediction Confidence Score 0.171 Applicability Domain 0.219 Low confidence Statistical Significance 0.7062 Supporting Reference Compounds 193 E-value 5497.48