CHEBI:89053 - 2,3-Octanedione

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2,3-Octanedione
ChEBI ID CHEBI:89053
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C8H14O2
Net Charge 0
Average Mass 142.196
Monoisotopic Mass 142.09938
InChI InChI=1S/C8H14O2/c1-3-4-5-6-8(10)7(2)9/h3-6H2,1-2H3
InChIKey XCBBNTFYSLADTO-UHFFFAOYSA-N
SMILES CCCCCC(C(C)=O)=O
Metabolite of Species Details
Homo sapiens (NCBI:txidtxid9606) Found in saliva (UBERON:0001836). See: PubMed
ChEBI Ontology
Outgoing 2,3-Octanedione (CHEBI:89053) is a α-diketone (CHEBI:51869)
IUPAC Name
octane-2,3-dione
Synonyms Sources
2,3-Dioxooctane HMDB
2,3-Octadione HMDB
2,3-Octandione HMDB
Methyl pentyl diketone HMDB
Octane-2,3-dione HMDB
Manual Xref Database
HMDB0031293 HMDB
View more database links
Registry Number Type Source
585-25-1 CAS Registry Number KEGG COMPOUND
Citation Waiting for Citations Type Source
24421258 PubMed citation Europe PMC