CHEBI:89283 - 1,3-Diacetylpropane

ChEBI IDCHEBI:89283
ChEBI Name1,3-Diacetylpropane
Stars
DownloadsMolfile
FormulaC7H12O2
Net Charge0
Average Mass128.171
Monoisotopic Mass128.08373
SMILESCC(=O)CCCC(C)=O
InChIInChI=1S/C7H12O2/c1-6(8)4-3-5-7(2)9/h3-5H2,1-2H3
InChIKeyVAIFYHGFLAPCON-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) PubMed (9464484)
ChEBI Ontology
Outgoing Relation(s)
1,3-Diacetylpropane (CHEBI:89283) is a ketone (CHEBI:17087)
Synonym  Source
heptane-2,6-dioneHMDB
Manual XrefsDatabases
HMDB0029165HMDB
Citations