2-(carboxymethyl)-5-oxofuran-2-carboxylic acid (CED0312400)

Record Information

Version

1.0

Creation Date

2026-09-01 11:30:24 UTC

Update Date

2026-09-01 11:30:24 UTC

SynCED ID

CED0312400

Secondary Accession Numbers

CHEM358219

Identification

Common Name

2-(carboxymethyl)-5-oxofuran-2-carboxylic acid

Class

Small Molecule

Description

2-(carboxymethyl)-5-oxofuran-2-carboxylic acid is a chemical compound with the formula C7H6O6. It has an average molecular weight of 186.12 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₇H₆O₆

Average Molecular Mass

Not Available

Monoisotopic Mass

186.016 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

C1=CC(OC1=O)(CC(=O)O)C(=O)O

InChI Identifier

InChI=1S/C7H6O6/c8-4(9)3-7(6(11)12)2-1-5(10)13-7/h1-2H,3H2,(H,8,9)(H,11,12)

InChI Key

DHCUIDTZCMREHG-UHFFFAOYSA-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

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014i-0900000000-00aa2ae017326f29248f	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-052f-8900000000-71870eeea07f672b99a8	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0kbb-9500000000-814e9ec1b65226e5cbcd	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000f-1900000000-9c9a7172ad497c1ab952	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0005-6900000000-090307603f332307478a	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0002-9300000000-292794a90ab542bc3ca2	Not Available	View Spectrum
MS	MS Spectrum	Not Available	Not Available	View Spectrum

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
5054.0 Log mg/kg [2800:9000]	Rat	LD50	oral	predicted	Not Available	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	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	PubChem
CEDs000740	Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.	Paper, pulp & fiber products	PubChem
CEDs000743	Sludge Treatment?Sludge treatment involves the processing of waste materials generated from wastewater treatment plants, which often contain a variety of organic and inorganic substances.	Wastewater, sanitation & biosolids	PubChem
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	PubChem

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 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.204 Applicability Domain 0.22 Low confidence Statistical Significance 0.5352 Supporting Reference Compounds 472 E-value 4166.33
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.204 Applicability Domain 0.22 Low confidence Statistical Significance 0.4459 Supporting Reference Compounds 332 E-value 3471.37
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	Prediction Confidence Score 0.2 Applicability Domain 0.22 Low confidence Statistical Significance 0.4227 Supporting Reference Compounds 242 E-value 3290.61
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.199 Applicability Domain 0.205 Low confidence Statistical Significance 0.5296 Supporting Reference Compounds 372 E-value 4123.28
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.197 Applicability Domain 0.2 Low confidence Statistical Significance 0.5567 Supporting Reference Compounds 407 E-value 4333.63
Click to view 3D structure	Intestinal-type alkaline phosphatase	P24822	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.196 Applicability Domain 0.224 Low confidence Statistical Significance 0.0953 Supporting Reference Compounds 58 E-value 742.137
Click to view 3D structure	Carboxylesterase/lipase Culp6	O53581	Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)	Predicted (SEA)	Prediction Confidence Score 0.196 Applicability Domain 0.196 Low confidence Statistical Significance 0.0225 Supporting Reference Compounds 1 E-value 175.55
Click to view 3D structure	Protein deacetylase HDAC6	Q9UBN7	Humans	Predicted (SEA)	Prediction Confidence Score 0.195 Applicability Domain 0.208 Low confidence Statistical Significance 0.8099 Supporting Reference Compounds 553 E-value 6304.7
Click to view 3D structure	Protein Tat	P04608	Human immunodeficiency virus type 1 group M subtype B (isolate HXB2)(HIV-1)	Predicted (SEA)	Prediction Confidence Score 0.195 Applicability Domain 0.21 Low confidence Statistical Significance 0.2232 Supporting Reference Compounds 108 E-value 1737.59
Click to view 3D structure	Carbonic anhydrase 5A, mitochondrial	P35218	Humans	Predicted (SEA)	Prediction Confidence Score 0.195 Applicability Domain 0.22 Low confidence Statistical Significance 0.3601 Supporting Reference Compounds 165 E-value 2803.51
Click to view 3D structure	Carbonic anhydrase 2	Q3I4V7	Cryptococcus neoformans	Predicted (SEA)	Prediction Confidence Score 0.193 Applicability Domain 0.216 Low confidence Statistical Significance 0.1523 Supporting Reference Compounds 60 E-value 1185.33
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	Prediction Confidence Score 0.193 Applicability Domain 0.2 Low confidence Statistical Significance 0.4297 Supporting Reference Compounds 193 E-value 3345.57
Click to view 3D structure	Carbonic anhydrase 14	Q9ULX7	Humans	Predicted (SEA)	Prediction Confidence Score 0.192 Applicability Domain 0.2 Low confidence Statistical Significance 0.4037 Supporting Reference Compounds 172 E-value 3143.08
Click to view 3D structure	Aldo-keto reductase family 1 member B1	P07943	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.192 Applicability Domain 0.208 Low confidence Statistical Significance 0.172 Supporting Reference Compounds 70 E-value 1339.4
Click to view 3D structure	Aldo-keto reductase family 1 member B1	P15121	Humans	Predicted (SEA)	Prediction Confidence Score 0.192 Applicability Domain 0.211 Low confidence Statistical Significance 0.2394 Supporting Reference Compounds 84 E-value 1864.02
Click to view 3D structure	S-sulfocysteine synthase	Q79FV4	Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)	Predicted (SEA)	Prediction Confidence Score 0.191 Applicability Domain 0.191 Low confidence Statistical Significance 0.0694 Supporting Reference Compounds 1 E-value 540.663
Click to view 3D structure	Carbonic anhydrase 4	Q95323	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.191 Applicability Domain 0.196 Low confidence Statistical Significance 0.1469 Supporting Reference Compounds 64 E-value 1143.92
Click to view 3D structure	Histone deacetylase 1	Q13547	Humans	Predicted (SEA)	Prediction Confidence Score 0.191 Applicability Domain 0.208 Low confidence Statistical Significance 0.8168 Supporting Reference Compounds 497 E-value 6358.88
Click to view 3D structure	Vascular endothelial growth factor receptor 2	P35968	Humans	Predicted (SEA)	Prediction Confidence Score 0.19 Applicability Domain 0.205 Low confidence Statistical Significance 0.935 Supporting Reference Compounds 1660 E-value 7279.21
Click to view 3D structure	Lysine-specific demethylase 5B	Q9UGL1	Humans	Predicted (SEA)	Prediction Confidence Score 0.19 Applicability Domain 0.204 Low confidence Statistical Significance 0.2849 Supporting Reference Compounds 50 E-value 2217.61
Click to view 3D structure	Receptor-type tyrosine-protein kinase FLT3	P36888	Humans	Predicted (SEA)	Prediction Confidence Score 0.189 Applicability Domain 0.205 Low confidence Statistical Significance 0.9243 Supporting Reference Compounds 1274 E-value 7195.68
Click to view 3D structure	Histone deacetylase 2	Q92769	Humans	Predicted (SEA)	Prediction Confidence Score 0.189 Applicability Domain 0.208 Low confidence Statistical Significance 0.7536 Supporting Reference Compounds 307 E-value 5867.03
Click to view 3D structure	Histone deacetylase 3	O15379	Humans	Predicted (SEA)	Prediction Confidence Score 0.189 Applicability Domain 0.208 Low confidence Statistical Significance 0.7126 Supporting Reference Compounds 257 E-value 5547.54
Click to view 3D structure	Tyrosine-protein kinase Lck	P06239	Humans	Predicted (SEA)	Prediction Confidence Score 0.188 Applicability Domain 0.208 Low confidence Statistical Significance 0.9416 Supporting Reference Compounds 1130 E-value 7330.05
Click to view 3D structure	Excitatory amino acid transporter 3	P43005	Humans	Predicted (SEA)	Prediction Confidence Score 0.188 Applicability Domain 0.212 Low confidence Statistical Significance 0.0699 Supporting Reference Compounds 13 E-value 543.855