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

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hexane-2,3-dione

	Properties	Image
MNX_ID	MNXM34473
reference	chebi:87583
formula	C₆H₁₀O₂
global charge	0
mol weight	114.144
InChIKey	MWVFCEVNXHTDNF-UHFFFAOYSA-N
InChI	InChI=1S/C6H10O2/c1-3-4-6(8)5(2)7/h3-4H2,1-2H3
SMILES	CCCC(=O)C(C)=O

MNX internals

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

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:87583 chebi:87583 MWVFCEVNXHTDNF-UHFFFAOYSA-N	hexane-2,3-dione Methyl propyl diketone
sabiork.compound:23157 sabiorkM:23157 MWVFCEVNXHTDNF-UHFFFAOYSA-N	2,3-Hexanedione
hmdb:HMDB0031491 MWVFCEVNXHTDNF-UHFFFAOYSA-N	2,3-Hexanedione 2,3-Hexandione 2,3-Hexanodione 2,3-hexanedione Acetyl butyryl Acetylbutyryl Butyryl acetyl FEMA 2558 Methyl propyl diketone Methyl propyl glyoxal hexane-2,3-dione
seed.compound:cpd25553 seedM:cpd25553 MWVFCEVNXHTDNF-UHFFFAOYSA-N	2,3-hexanedione Acetylbutyryl Methyl propyl diketone acetylbutyryl methyl propyl diketone
metacyc.compound:CPD-9081 metacycM:CPD-9081 MWVFCEVNXHTDNF-UHFFFAOYSA-N	2,3-hexanedione acetylbutyryl methyl propyl diketone
lipidmaps:LMFA12000247 lipidmapsM:LMFA12000247 MWVFCEVNXHTDNF-UHFFFAOYSA-N	Hexane-2,3-dione Hexane-2,3-dione
hmdb:HMDB31491 seedM:M_cpd25553	secondary/obsolete/fantasy identifier