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CHEBI:138251 - 3-hydroxyhexane-2,5-dione

ChEBI IDCHEBI:138251
ChEBI Name3-hydroxyhexane-2,5-dione
Stars
DefinitionA diketone that is hexane-2,5-dione in which a hydrogen at position 3 has been replaced by a hydroxy group.
Last Modified2 October 2018
Submitterabridge
DownloadsMolfile
FormulaC6H10O3
Net Charge0
Average Mass130.143
Monoisotopic Mass130.06299
SMILESCC(=O)CC(O)C(C)=O
InChIInChI=1S/C6H10O3/c1-4(7)3-6(9)5(2)8/h6,9H,3H2,1-2H3
InChIKeyMXGSILCFPNVDMX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Saussurea katochaete (ncbitaxon:238945) whole plant (BTO:0001461) PubMed (17944328) From acetone extract of whole plant
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
3-hydroxyhexane-2,5-dione (CHEBI:138251) has role plant metabolite (CHEBI:76924)
3-hydroxyhexane-2,5-dione (CHEBI:138251) is a diketone (CHEBI:46640)
3-hydroxyhexane-2,5-dione (CHEBI:138251) is a secondary α-hydroxy ketone (CHEBI:2468)
3-hydroxyhexane-2,5-dione (CHEBI:138251) is a β-hydroxy ketone (CHEBI:55380)
IUPAC Name 
3-hydroxyhexane-2,5-dione
Synonyms  Source
3-hydroxy-hexane-2,5-dioneChEBI
3-hydroxy-2,5-hexanedioneChEBI
UniProt Name  Source
3-hydroxyhexane-2,5-dioneUniProt
Registry NumbersSources
Reaxys:1756899Reaxys
Citations