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CHEBI:74687 - N-acetylethanolamine

Default Structure
ChEBI IDCHEBI:74687
ChEBI NameN-acetylethanolamine
Stars
ASCII NameN-acetylethanolamine
DefinitionA member of the class of ethanolamines that is 2-aminoethanol in which one of the hydrogens of the amino group is replaced by an acetyl group.
Last Modified12 March 2015
Submittermwilliams
DownloadsMolfile
FormulaC4H9NO2
Net Charge0
Average Mass103.121
Monoisotopic Mass103.06333
SMILESCC(=O)NCCO
InChIInChI=1S/C4H9NO2/c1-4(7)5-2-3-6/h6H,2-3H2,1H3,(H,5,7)
InChIKeyPVCJKHHOXFKFRP-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
N-acetylethanolamine (CHEBI:74687) has role metabolite (CHEBI:25212)
N-acetylethanolamine (CHEBI:74687) is a acetamides (CHEBI:22160)
N-acetylethanolamine (CHEBI:74687) is a ethanolamines (CHEBI:23981)
N-acetylethanolamine (CHEBI:74687) is a monocarboxylic acid amide (CHEBI:29347)
IUPAC Name 
N-(2-hydroxyethyl)acetamide
Manual XrefsDatabases
CN101525301Patent
Registry NumbersSources
Reaxys:1811708Reaxys
CAS:142-26-7ChemIDplus