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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 6-acetamido-3-oxohexanoic acid
ChEBI ID CHEBI:2165
Definition A 3-oxo monocarboxylic acid that is 3-oxohexanoic acid substituted at position 6 by an acetamido group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C8H13NO4
Net Charge 0
Average Mass 187.19316
Monoisotopic Mass 187.08446
InChI InChI=1S/C8H13NO4/c1-6(10)9-4-2-3-7(11)5-8(12)13/h2-5H2,1H3,(H,9,10)(H,12,13)
InChIKey GICCYAKQXAHHKY-UHFFFAOYSA-N
SMILES CC(=O)NCCCC(=O)CC(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Sources
3-keto-6-acetamidohexanoate ChemIDplus
3-oxo-6-acetamidohexanoic acid ChEBI
6-acetamido-3-ketohexanoic acid ChEBI
6-Acetamido-3-oxohexanoate KEGG COMPOUND
Manual Xrefs Databases
3-OXO-6-ACETAMIDOHEXANOATE MetaCyc
C03682 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
20934815 Reaxys Registry Number Reaxys
59403-50-8 CAS Registry Number ChemIDplus
Last Modified
22 January 2015