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CHEBI:88623 - 2,3-Heptanedione

Default Structure
ChEBI IDCHEBI:88623
ChEBI Name2,3-Heptanedione
Stars
DownloadsMolfile
FormulaC7H12O2
Net Charge0
Average Mass128.171
Monoisotopic Mass128.08373
SMILESCCCCC(=O)C(C)=O
InChIInChI=1S/C7H12O2/c1-3-4-5-7(9)6(2)8/h3-5H2,1-2H3
InChIKeyFJPGAMCQJNLTJC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
saliva (UBERON:0001836) PubMed (24421258)
faeces (UBERON:0001988) PubMed (17314143)
ChEBI Ontology
Outgoing Relation(s)
2,3-Heptanedione (CHEBI:88623) is a α-diketone (CHEBI:51869)
Synonyms  Source
2,3-DioxoheptaneHMDB
Acetyl pentanoylHMDB
Acetyl valerylHMDB
Benzil-related compound, 47HMDB
FEMA 2543HMDB
heptane-2,3-dioneHMDB
Manual XrefsDatabases
HMDB0031476HMDB
Registry NumbersSources
CAS:96-04-8KEGG COMPOUND
Citations