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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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3,4-Hexanedione

Properties

Image

Occurences in reactions

MNX_ID

MNXM36075

Image of MNXM36075

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

formula

C₆H₁₀O₂

charge

0

mass

114.06808

reference

InChIKey

KVFQMAZOBTXCAZ-UHFFFAOYSA-N

InChI

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

SMILES

CCC(=O)C(=O)CC

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:88652 chebi:88652	3,4-Hexanedione 3,4-Hexandione Bipropionyl Diethyl diketone Dipropionyl FEMA 3168 hexane-3,4-dione
sabiork.compound:23168 sabiorkM:23168	3,4-Hexanedione
hmdb:HMDB0031492	3,4-Hexanedione 3,4-Hexandione 3,4-hexanedione 4-Dione Bipropionyl Diethyl diketone Dipropionyl FEMA 3168 Hexane 3 hexane-3,4-dione
lipidmaps:LMFA12000016 lipidmapsM:LMFA12000016	3,4-Hexanedione 3,4-Hexanedione Hexane-3,4-dione
metacyc.compound:CPD-9078 metacycM:CPD-9078 seed.compound:cpd25551 seedM:cpd25551	3,4-hexanedione
hmdb:HMDB31492 seedM:M_cpd25551	secondary/obsolete/fantasy identifier