urethane (CHEBI:17967)

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ChEBI Name	urethane

ChEBI ID	CHEBI:17967

Definition	A carbamate ester obtained by the formal condensation of ethanol with carbamic acid. It has been found in alcoholic beverages.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:9892, CHEBI:15295, CHEBI:27225

Supplier Information	ChemicalBook:CB4368670, eMolecules:497148, ZINC000000901020

Download	Molfile XML SDF

Wikipedia	License
Ethyl carbamate (also called urethane) is an organic compound with the formula CH3CH2OC(O)NH2. It is an ester of carbamic acid and a white solid. Despite its name, it is not a component of polyurethanes. Because it is a carcinogen, it is rarely used, but naturally forms in low quantities in many types of fermented foods and drinks.
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Formula

C3H7NO2

Net Charge

Average Mass

89.09322

Monoisotopic Mass

89.04768

InChI

InChI=1S/C3H7NO2/c1-2-6-3(4)5/h2H2,1H3,(H2,4,5)

InChIKey

JOYRKODLDBILNP-UHFFFAOYSA-N

SMILES

CCOC(N)=O

Roles Classification
Biological Role(s):	fungal metabolite Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds. mutagen An agent that increases the frequency of mutations above the normal background level, usually by interacting directly with DNA and causing it damage, including base substitution.

ChEBI Ontology
Outgoing	urethane (CHEBI:17967) has role fungal metabolite (CHEBI:76946) urethane (CHEBI:17967) has role mutagen (CHEBI:25435) urethane (CHEBI:17967) is a carbamate ester (CHEBI:23003)

IUPAC Name

ethyl carbamate

Citations

Last Modified

13 November 2017