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CHEBI:2165 - 6-acetamido-3-oxohexanoic acid

ChEBI IDCHEBI:2165
ChEBI Name6-acetamido-3-oxohexanoic acid
Stars
DefinitionA 3-oxo monocarboxylic acid that is 3-oxohexanoic acid substituted at position 6 by an acetamido group.
Last Modified22 January 2015
DownloadsMolfile
FormulaC8H13NO4
Net Charge0
Average Mass187.195
Monoisotopic Mass187.08446
SMILESCC(=O)NCCCC(=O)CC(=O)O
InChIInChI=1S/C8H13NO4/c1-6(10)9-4-2-3-7(11)5-8(12)13/h2-5H2,1H3,(H,9,10)(H,12,13)
InChIKeyGICCYAKQXAHHKY-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
6-acetamido-3-oxohexanoic acid (CHEBI:2165) has functional parent 3-oxohexanoic acid (CHEBI:28422)
6-acetamido-3-oxohexanoic acid (CHEBI:2165) is a 3-oxo monocarboxylic acid (CHEBI:47881)
6-acetamido-3-oxohexanoic acid (CHEBI:2165) is a acetamides (CHEBI:22160)
6-acetamido-3-oxohexanoic acid (CHEBI:2165) is conjugate acid of 6-acetamido-3-oxohexanoate (CHEBI:17982)
Incoming Relation(s)
6-acetamido-3-oxohexanoate (CHEBI:17982) is conjugate base of 6-acetamido-3-oxohexanoic acid (CHEBI:2165)
IUPAC Name 
6-acetamido-3-oxohexanoic acid
Synonyms  Source
6-Acetamido-3-oxohexanoateKEGG COMPOUND
3-keto-6-acetamidohexanoateChemIDplus
3-oxo-6-acetamidohexanoic acidChEBI
6-acetamido-3-ketohexanoic acidChEBI
Manual XrefsDatabases
C03682KEGG COMPOUND
3-OXO-6-ACETAMIDOHEXANOATEMetaCyc
Registry NumbersSources
Reaxys:20934815Reaxys
CAS:59403-50-8ChemIDplus