Carboxycarbamoylcarbamic acid (CED0000064)

Record Information

Version

1.0

Creation Date

2026-08-31 23:30:04 UTC

Update Date

2026-08-31 23:30:04 UTC

SynCED ID

CED0000064

Secondary Accession Numbers

CHEM351075

Identification

Common Name

Carboxycarbamoylcarbamic acid

Class

Small Molecule

Description

Carboxycarbamoylcarbamic acid is a chemical compound with the formula C3H4N2O5. It has an average molecular weight of 148.07 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₃H₄N₂O₅

Average Molecular Mass

Not Available

Monoisotopic Mass

148.012 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

C(=O)(NC(=O)O)NC(=O)O

InChI Identifier

InChI=1S/C3H4N2O5/c6-1(4-2(7)8)5-3(9)10/h(H,7,8)(H,9,10)(H2,4,5,6)

InChI Key

OBMKNHGTYMWONF-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

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
2367.0 Log mg/kg [1300:4200]	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	Reference

Exposure Sources

Source ID	Source	Sector	Reference
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	Not Available

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	Egl nine homolog 1	Q9GZT9	Humans	Predicted (SEA)	Prediction Confidence Score 0.191 Applicability Domain 0.25 Low confidence Statistical Significance 0.2209 Supporting Reference Compounds 41 E-value 1719.77
Click to view 3D structure	Beta-lactamase VIM-1	Q9XAY4	Pseudomonas aeruginosa	Predicted (SEA)	Prediction Confidence Score 0.19 Applicability Domain 0.19 Low confidence Statistical Significance 7.60e-04 Supporting Reference Compounds 1 E-value 5.91654
Click to view 3D structure	Bifunctional epoxide hydrolase 2	P34913	Humans	Predicted (SEA)	Prediction Confidence Score 0.19 Applicability Domain 0.273 Low confidence Statistical Significance 0.51 Supporting Reference Compounds 93 E-value 3970.0
Click to view 3D structure	Epoxide hydrolase 1	P07099	Humans	Predicted (SEA)	Prediction Confidence Score 0.188 Applicability Domain 0.273 Low confidence Statistical Significance 0.1493 Supporting Reference Compounds 18 E-value 1162.13
Click to view 3D structure	E3 ubiquitin-protein ligase NEDD4	P46934	Humans	Predicted (SEA)	Prediction Confidence Score 0.186 Applicability Domain 0.186 Low confidence Statistical Significance 0.0627 Supporting Reference Compounds 1 E-value 488.348
Click to view 3D structure	Prolyl 4-hydroxylase subunit alpha-1	P54001	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.185 Applicability Domain 0.227 Low confidence Statistical Significance 0.0016 Supporting Reference Compounds 2 E-value 12.7673
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.183 Applicability Domain 0.208 Low confidence Statistical Significance 0.6802 Supporting Reference Compounds 332 E-value 5295.3
Click to view 3D structure	Protein deacetylase HDAC6	Q9UBN7	Humans	Predicted (SEA)	Prediction Confidence Score 0.182 Applicability Domain 0.208 Low confidence Statistical Significance 0.9065 Supporting Reference Compounds 553 E-value 7056.8
Click to view 3D structure	Asc-type amino acid transporter 1	P63116	Rat	Predicted (SEA)	Prediction Confidence Score 0.182 Applicability Domain 0.182 Low confidence Statistical Significance 0.0025 Supporting Reference Compounds 2 E-value 19.1509
Click to view 3D structure	Sodium- and chloride-dependent GABA transporter 2	P31646	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.182 Applicability Domain 0.182 Low confidence Statistical Significance 0.0037 Supporting Reference Compounds 1 E-value 28.9599
Click to view 3D structure	Olfactory receptor 51E2	Q9H255	Humans	Predicted (SEA)	Prediction Confidence Score 0.179 Applicability Domain 0.235 Low confidence Statistical Significance 0.0038 Supporting Reference Compounds 9 E-value 29.8941
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.176 Applicability Domain 0.188 Low confidence Statistical Significance 0.8316 Supporting Reference Compounds 472 E-value 6474.25
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.176 Applicability Domain 0.188 Low confidence Statistical Significance 0.7889 Supporting Reference Compounds 407 E-value 6141.76
Click to view 3D structure	Histone deacetylase 1	Q13547	Humans	Predicted (SEA)	Prediction Confidence Score 0.175 Applicability Domain 0.208 Low confidence Statistical Significance 0.9226 Supporting Reference Compounds 497 E-value 7182.21
Click to view 3D structure	4-aminobutyrate aminotransferase, mitochondrial	P80147	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.174 Applicability Domain 0.227 Low confidence Statistical Significance 6.10e-04 Supporting Reference Compounds 2 E-value 4.7488
Click to view 3D structure	Histone deacetylase 2	Q92769	Humans	Predicted (SEA)	Prediction Confidence Score 0.174 Applicability Domain 0.208 Low confidence Statistical Significance 0.8809 Supporting Reference Compounds 307 E-value 6857.58
Click to view 3D structure	Lysine-specific demethylase 6B	O15054	Humans	Predicted (SEA)	Prediction Confidence Score 0.172 Applicability Domain 0.227 Low confidence Statistical Significance 0.3389 Supporting Reference Compounds 32 E-value 2638.31
Click to view 3D structure	S-sulfocysteine synthase	Q79FV4	Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)	Predicted (SEA)	Prediction Confidence Score 0.171 Applicability Domain 0.171 Low confidence Statistical Significance 0.1188 Supporting Reference Compounds 1 E-value 924.615
Click to view 3D structure	N-acetylaspartylglutamate synthase A	Q8IXN7	Humans	Predicted (SEA)	Prediction Confidence Score 0.231 Applicability Domain 0.231 Low confidence Statistical Significance 0.0025 Supporting Reference Compounds 1 E-value 19.618
Click to view 3D structure	Fumarate hydratase, mitochondrial	P10173	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.211 Applicability Domain 0.211 Low confidence Statistical Significance 9.00e-05 Supporting Reference Compounds 1 E-value 0.700643
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.208 Applicability Domain 0.333 Statistical Significance 0.4285 Supporting Reference Compounds 372 E-value 3336.23
Click to view 3D structure	Lysine-specific demethylase 5C	P41229	Humans	Predicted (SEA)	Prediction Confidence Score 0.201 Applicability Domain 0.227 Low confidence Statistical Significance 0.1225 Supporting Reference Compounds 45 E-value 954.042
Click to view 3D structure	Lysine-specific demethylase 2A	Q9Y2K7	Humans	Predicted (SEA)	Prediction Confidence Score 0.197 Applicability Domain 0.227 Low confidence Statistical Significance 0.1102 Supporting Reference Compounds 35 E-value 857.821
Click to view 3D structure	Histone lysine demethylase PHF8	Q9UPP1	Humans	Predicted (SEA)	Prediction Confidence Score 0.195 Applicability Domain 0.227 Low confidence Statistical Significance 0.0082 Supporting Reference Compounds 14 E-value 64.0699
Click to view 3D structure	Epoxide hydrolase B	P95276	Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh)	Predicted (SEA)	Prediction Confidence Score 0.192 Applicability Domain 0.273 Low confidence Statistical Significance 0.0107 Supporting Reference Compounds 3 E-value 83.143