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

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diacetyl

	Properties	Image
MNX_ID	MNXM1467
reference	chebi:16583
formula	C₄H₆O₂
global charge	0
mol weight	86.09
InChIKey	QSJXEFYPDANLFS-UHFFFAOYSA-N
InChI	InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3
SMILES	CC(=O)C(C)=O

MNX internals

InChI (mnx)	InChI=1/C4H6O2/c1-3(5)4(2)6/h1-2H3
SMILES (mnx)	[CH3:1][C:3]([C:4]([CH3:2])=[O:6])=[O:5]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	17
in models (compartimentalized)	10

Similar chemical compounds in external resources
Identifier	Description
CHEBI:16583 chebi:16583 QSJXEFYPDANLFS-UHFFFAOYSA-N	diacetyl 2,3-Butadione 2,3-Butanedione 2,3-Diketobutane 2,3-Dioxobutane 2,3-butandione Biacetyl Diacetyl Dimethyl glyoxal Dimethylglyoxal butane-2,3-dione
vmhM:dmthgxl vmhmetabolite:dmthgxl QSJXEFYPDANLFS-UHFFFAOYSA-N	2,3-Butanedione, Dimethylglyoxal butane-2,3-dione
seed.compound:cpd00551 seedM:cpd00551 QSJXEFYPDANLFS-UHFFFAOYSA-N	DTYL 2,3-Butanedione 2,3-butanedione 2,3-diketobutane 2,3-dioxobutane Biacetyl Diacetyl Dimethylglyoxal biacetyl butadione butanedione cll_453 diacetyl dimethyl diketone dimethylglyoxal
bigg.metabolite:diact biggM:diact	Diacetyl
hmdb:HMDB0003407 QSJXEFYPDANLFS-UHFFFAOYSA-N	Diacetyl 2,3 Butanedione 2,3-Butadione 2,3-Butandione 2,3-Butanedione 2,3-Diketobutane 2,3-Dioxobutane Acetoacetaldehyde Biacetyl Butadione Butan-2,3-dione Butane-2,3-dione Butanedione Diketobutane Dimethyl diketone Dimethyl glyoxal Dimethyldiketone Dimethylglyoxal butane-2,3-dione diacetyl
lipidmaps:LMFA12000012 lipidmapsM:LMFA12000012 QSJXEFYPDANLFS-UHFFFAOYSA-N	Diacetyl 2,3-Butanedione
kegg.compound:C00741 keggC:C00741 QSJXEFYPDANLFS-UHFFFAOYSA-N	Diacetyl 2,3-Butanedione Biacetyl Dimethylglyoxal
vmhM:diact vmhmetabolite:diact QSJXEFYPDANLFS-UHFFFAOYSA-N	Diacetyl butane-2,3-dione
sabiork.compound:2145 sabiorkM:2145 QSJXEFYPDANLFS-UHFFFAOYSA-N	Dimethylglyoxal 2,3-Butanedione Biacetyl Diacetyl
envipath:...577976eeec4e envipathM:...577976eeec4e QSJXEFYPDANLFS-UHFFFAOYSA-N	compound 0000628
envipath:...560c9ae708fb envipathM:...560c9ae708fb QSJXEFYPDANLFS-UHFFFAOYSA-N	compound 0059013
metacyc.compound:DIACETYL metacycM:DIACETYL QSJXEFYPDANLFS-UHFFFAOYSA-N	diacetyl 2,3-butanedione 2,3-diketobutane 2,3-dioxobutane biacetyl butadione butanedione dimethyl diketone dimethylglyoxal
hmdb:HMDB03407 chebi:14134 chebi:4479 biggM:M_diact keggC:M_C00741 seedM:M_cpd00551 vmhM:M_diact vmhM:M_dmthgxl	secondary/obsolete/fantasy identifier