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Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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The Swiss Initiative in Systems Biology

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2,5-hexanedione

Properties

Image

Occurences in reactions

MNX_ID

MNXM99445

Image of MNXM99445

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₆H₁₀O₂

charge

0

mass

114.06808

reference

InChIKey

OJVAMHKKJGICOG-UHFFFAOYSA-N

InChI

InChI=1S/C6H10O2/c1-5(7)3-4-6(2)8/h3-4H2,1-2H3

SMILES

CC(=O)CCC(C)=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:85014 chebi:85014	2,5-hexanedione 1,2-Diacetylethane 2,5-Diketohexane 2,5-Hexadione Acetonyl acetone CH3COCH2CH2COCH3 NSC 7621 acetonylacetone alpha,beta-Diacetylethane alpha,beta-diacetylethane hexane-2,5-dione
lipidmaps:LMFA12000081 lipidmapsM:LMFA12000081	2,5-Hexanedione 2,5-Hexanedione
metacyc.compound:CPD-15521 metacycM:CPD-15521 seed.compound:cpd32099 seedM:cpd32099	2,5-hexanedione
envipath:...22815b56a164 envipathM:...22815b56a164	compound 0000945
seedM:M_cpd32099	secondary/obsolete/fantasy identifier