Urea C-13 (CED0004827)

Record Information

Version

1.0

Creation Date

2026-04-14 17:46:07 UTC

Update Date

2026-05-14 19:06:22 UTC

Accession Number

CHEM130438

Identification

Common Name

Urea C-13

Class

Small Molecule

Description

Urea C-13 is an organic compound with the formula CH4N2O and an average molecular weight of 61.05 g/mol. Urea C-13 belongs to the ureas, a subclass of organic carbonic acids and derivatives within the organic compounds. This substance is found in or released from one recorded source: healthcare, pharmaceuticals & veterinary products, specifically as unclassified diagnostic agents. The recorded route of exposure for this compound is oral.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

CH₄N₂O

Average Molecular Mass

61.048 g/mol

Monoisotopic Mass

61.036 g/mol

CAS Registry Number

58069-82-2

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

N[13C](N)=O

InChI Identifier

InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)/i1+1

InChI Key

XSQUKJJJFZCRTK-OUBTZVSYSA-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	splash10-03di-9000000000-400d59bf59b857bd7c06	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03di-9000000000-62a98ed331817abd8e21	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03di-9000000000-c9dca3bb7a68e02d24b5	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-01ox-9000000000-0d2e6b33446d18bbb854	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-9000000000-7d46c588e2e362a66d53	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-9000000000-ec065d724826ef4de1aa	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-9000000000-6d63a0a8300675e79f9a	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
411	Unclassified diagnostic agents	Healthcare, pharmaceuticals & veterinary products	Not Available

Pathways

0 pathways

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	Sodium- and chloride-dependent creatine transporter 1	P48029	Humans	Predicted (SEA)	1.16774
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	1545.85
Click to view 3D structure	Asc-type amino acid transporter 1	P63116	Rat	Predicted (SEA)	8.25202
Click to view 3D structure	Sodium- and chloride-dependent GABA transporter 2	P31646	Rattus norvegicus	Predicted (SEA)	5.3716
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	1728.49
Click to view 3D structure	Alpha carbonic anhydrase	B5SU02	Stylophora pistillata	Predicted (SEA)	101.905
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	1487.62
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	3938.63
Click to view 3D structure	Protein mono-ADP-ribosyltransferase PARP10	Q53GL7	Humans	Predicted (SEA)	1304.91
Click to view 3D structure	Fumarate hydratase, mitochondrial	P10173	Sus scrofa	Predicted (SEA)	1.16774
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	3887.17
Click to view 3D structure	Glutamate transporter homolog	O59010	Pyrococcus horikoshii (strain ATCC 700860 / DSM 12428 / JCM 9974 /NBRC 100139 / OT-3)	Predicted (SEA)	24.8339
Click to view 3D structure	Carbonic anhydrase 6	P23280	Humans	Predicted (SEA)	2873.57
Click to view 3D structure	Protein mono-ADP-ribosyltransferase PARP14	Q460N5	Humans	Predicted (SEA)	1825.1
Click to view 3D structure	Metabotropic glutamate receptor 8	P47743	Mus musculus	Predicted (SEA)	19.3845
Click to view 3D structure	Protein mono-ADP-ribosyltransferase PARP15	Q460N3	Humans	Predicted (SEA)	1586.8
Click to view 3D structure	Protective antigen	P13423	Bacillus anthracis	Predicted (SEA)	459.233
Click to view 3D structure	Olfactory receptor 51E2	Q9H255	Humans	Predicted (SEA)	22.3427
Click to view 3D structure	Carbonic anhydrase	C0IX24	Stylophora pistillata	Predicted (SEA)	408.475
Click to view 3D structure	Metabotropic glutamate receptor 2	Q14416	Humans	Predicted (SEA)	3480.17
Click to view 3D structure	Metabotropic glutamate receptor 2	P31421	Rattus norvegicus	Predicted (SEA)	2698.1
Click to view 3D structure	Metabotropic glutamate receptor 3	P31422	Rattus norvegicus	Predicted (SEA)	1575.98
Click to view 3D structure	4-aminobutyrate aminotransferase, mitochondrial	P80147	Sus scrofa	Predicted (SEA)	3.03612
Click to view 3D structure	Metabotropic glutamate receptor 6	O15303	Humans	Predicted (SEA)	1922.49
Click to view 3D structure	Metabotropic glutamate receptor 4	P31423	Rattus norvegicus	Predicted (SEA)	1726.93