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

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3,4-Hexanedione

	Properties	Image
MNX_ID	MNXM36075
reference	chebi:88652
formula	C₆H₁₀O₂
global charge	0
mol weight	114.144
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

MNX internals

InChI (mnx)	InChI=1/C6H10O2/c1-3-5(7)6(8)4-2/h3-4H2,1-2H3
SMILES (mnx)	[CH3:1][CH2:3][C:5]([C:6]([CH2:4][CH3:2])=[O:8])=[O:7]

Parent-child relations graph

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

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