CHEBI:16111 - nonane-4,6-dione

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name nonane-4,6-dione
ChEBI ID CHEBI:16111
Definition A nonanone carrying oxo substituents at positions 4 and 6 respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:7615, CHEBI:14664, CHEBI:25577
Supplier Information
Download Molfile XML SDF
Formula C9H16O2
Net Charge 0
Average Mass 156.22214
Monoisotopic Mass 156.11503
InChI InChI=1S/C9H16O2/c1-3-5-8(10)7-9(11)6-4-2/h3-7H2,1-2H3
InChIKey ZDYWPVCQPUPOJV-UHFFFAOYSA-N
SMILES CCCC(=O)CC(=O)CCC
ChEBI Ontology
Outgoing nonane-4,6-dione (CHEBI:16111) is a β-diketone (CHEBI:67265)
nonane-4,6-dione (CHEBI:16111) is a nonanone (CHEBI:25579)
IUPAC Name
nonane-4,6-dione
Synonyms Sources
Nonane-4,6-dione KEGG COMPOUND
nonane-4,6-dione UniProt
Manual Xrefs Databases
C02445 KEGG COMPOUND
NONANE-46-DIONE MetaCyc
View more database links
Registry Numbers Types Sources
14090-88-1 CAS Registry Number ChemIDplus
1757685 Reaxys Registry Number Reaxys
Last Modified
17 August 2015