Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:28422 - 3-oxohexanoic acid
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
3-oxohexanoic acid
ChEBI ID
CHEBI:28422
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:1640, CHEBI:20171
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C6H10O3
Net Charge
0
Average Mass
130.14180
Monoisotopic Mass
130.06299
InChI
InChI=1S/C6H10O3/c1-2-3-5(7)4-6(8)9/h2-4H2,1H3,(H,8,9)
InChIKey
BDCLDNALSPBWPQ-UHFFFAOYSA-N
SMILES
CCCC(=O)CC(O)=O
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
3-oxohexanoic acid (
CHEBI:28422
)
has functional parent
hexanoic acid (
CHEBI:30776
)
3-oxohexanoic acid (
CHEBI:28422
)
is a
3-oxo monocarboxylic acid (
CHEBI:47881
)
Incoming
3-oxohexanoyl-CoA (
CHEBI:27648
)
has functional parent
3-oxohexanoic acid (
CHEBI:28422
)
6-acetamido-3-oxohexanoic acid (
CHEBI:2165
)
has functional parent
3-oxohexanoic acid (
CHEBI:28422
)
N
-(3-oxohexanoyl)homoserine lactone (
CHEBI:29640
)
has functional parent
3-oxohexanoic acid (
CHEBI:28422
)
ethyl 3-oxohexanoate (
CHEBI:18119
)
has functional parent
3-oxohexanoic acid (
CHEBI:28422
)
IUPAC Name
3-oxohexanoic acid
Synonyms
Sources
3-Oxohexanoate
KEGG COMPOUND
3-Oxohexanoic acid
KEGG COMPOUND
Manual Xrefs
Databases
C02122
KEGG COMPOUND
LMFA01060008
LIPID MAPS
View more database links
Last Modified
28 July 2014