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:134474 - 6,8-icosanedione
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
6,8-icosanedione
ChEBI ID
CHEBI:134474
Definition
A β-diketone that is icosane in which the methylene hydrogens at positions 6 and 8 have been replaced by oxo groups.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
more structures >>
Molfile
Formula
C20H38O2
Net Charge
0
Average Mass
310.515
Monoisotopic Mass
310.28718
InChI
InChI=1S/C20H38O2/c1-3-5-7-8-9-10-11-12-13-15-17-20(22)18-19(21)16-14-6-4-2/h3-18H2,1-2H3
InChIKey
RPQVHNSWIOVYEA-UHFFFAOYSA-N
SMILES
CCCCCCCCCCCCC(CC(CCCCC)=O)=O
Metabolite of Species
Details
Mus musculus
(NCBI:txid10090)
See:
MetaboLights Study
Rattus norvegicus
(NCBI:txid10116)
See:
MetaboLights Study
Roles Classification
Biological Role
(s):
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (
Mus musculus
).
rat metabolite
Any mammalian metabolite produced during a metabolic reaction in rat (
Rattus norvegicus
).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
6,8-icosanedione (
CHEBI:134474
)
has parent hydride
icosane (
CHEBI:43619
)
6,8-icosanedione (
CHEBI:134474
)
has role
mouse metabolite (
CHEBI:75771
)
6,8-icosanedione (
CHEBI:134474
)
has role
rat metabolite (
CHEBI:86264
)
6,8-icosanedione (
CHEBI:134474
)
is a
β-diketone (
CHEBI:67265
)
IUPAC Name
icosane-6,8-dione
Synonyms
Sources
6,8-eicosanedione
ChEBI
eicosane-6,8-dione
ChEBI
Manual Xref
Database
HMDB0035572
HMDB
View more database links
Last Modified
03 July 2017