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:15888 - 5-oxohexanoic acid
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
5-oxohexanoic acid
ChEBI ID
CHEBI:15888
Definition
A medium-chain fatty acid comprising hexanoic acid carrying a 5-oxo group.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:2114, CHEBI:20621
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/c1-5(7)3-2-4-6(8)9/h2-4H2,1H3,(H,8,9)
InChIKey
MGTZCLMLSSAXLD-UHFFFAOYSA-N
SMILES
CC(=O)CCCC(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
)
Biological Role
(s):
bacterial xenobiotic metabolite
Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
5-oxohexanoic acid (
CHEBI:15888
)
has functional parent
hexanoic acid (
CHEBI:30776
)
5-oxohexanoic acid (
CHEBI:15888
)
has role
bacterial xenobiotic metabolite (
CHEBI:76976
)
5-oxohexanoic acid (
CHEBI:15888
)
is a
5-oxo monocarboxylic acid (
CHEBI:35952
)
5-oxohexanoic acid (
CHEBI:15888
)
is a
medium-chain fatty acid (
CHEBI:59554
)
5-oxohexanoic acid (
CHEBI:15888
)
is a
oxo fatty acid (
CHEBI:59644
)
5-oxohexanoic acid (
CHEBI:15888
)
is a
straight-chain fatty acid (
CHEBI:59202
)
5-oxohexanoic acid (
CHEBI:15888
)
is conjugate acid of
5-oxohexanoate (
CHEBI:12154
)
Incoming
5-oxohexanoate (
CHEBI:12154
)
is conjugate base of
5-oxohexanoic acid (
CHEBI:15888
)
IUPAC Name
5-oxohexanoic acid
Synonyms
Sources
4-acetyl-butanoic acid
ChEBI
4-acetyl-butyric acid
ChEBI
4-Acetylbutyric acid
KEGG COMPOUND
5-keto-n-caproic acid
LIPID MAPS
5-Ketocaproic acid
ChemIDplus
5-Ketohexanoic acid
ChemIDplus
5-oxocaproic acid
ChEBI
5-Oxohexanoate
KEGG COMPOUND
5-Oxohexanoic acid
KEGG COMPOUND
delta-Ketocaproic acid
ChemIDplus
delta-Oxocaproic acid
ChemIDplus
gamma-Acetylbutyric acid
ChemIDplus
Manual Xrefs
Databases
4AT
PDBeChem
C02129
KEGG COMPOUND
EP0062305
Patent
LMFA01060010
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
3128-06-1
CAS Registry Number
KEGG COMPOUND
3128-06-1
CAS Registry Number
NIST Chemistry WebBook
3128-06-1
CAS Registry Number
ChemIDplus
385840
Reaxys Registry Number
Reaxys
Citations
Types
Sources
2505723
PubMed citation
Europe PMC
3715925
PubMed citation
Europe PMC
Last Modified
23 October 2015