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

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ChEBI Name	3-hydroxyhexane-2,5-dione

ChEBI ID	CHEBI:138251

Definition	A diketone that is hexane-2,5-dione in which a hydrogen at position 3 has been replaced by a hydroxy group.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	abridge

Supplier Information

Download	Molfile XML SDF

Formula

C6H10O3

Net Charge

Average Mass

130.142

Monoisotopic Mass

130.06299

InChI

InChI=1S/C6H10O3/c1-4(7)3-6(9)5(2)8/h6,9H,3H2,1-2H3

InChIKey

MXGSILCFPNVDMX-UHFFFAOYSA-N

SMILES

CC(CC(C(C)=O)O)=O

Metabolite of Species	Details
Saussurea katochaete (NCBI:txid238945)	Found in whole plant (BTO:0001461). From acetone extract of whole plant See: PubMed

Roles Classification
Biological Role(s):	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	3-hydroxyhexane-2,5-dione (CHEBI:138251) has role plant metabolite (CHEBI:76924) 3-hydroxyhexane-2,5-dione (CHEBI:138251) is a β-hydroxy ketone (CHEBI:55380) 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)

IUPAC Name

3-hydroxyhexane-2,5-dione

Registry Number	Type	Source
1756899	Reaxys Registry Number	Reaxys

Last Modified

02 October 2018