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

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acetone

	Properties	Image
MNX_ID	MNXM398
reference	chebi:15347
formula	C₃H₆O
global charge	0
mol weight	58.08
InChIKey	CSCPPACGZOOCGX-UHFFFAOYSA-N
InChI	InChI=1S/C3H6O/c1-3(2)4/h1-2H3
SMILES	CC(C)=O

MNX internals

InChI (mnx)	InChI=1/C3H6O/c1-3(2)4/h1-2H3
SMILES (mnx)	[CH3:1][C:3]([CH3:2])=[O:4]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	47
in models (compartimentalized)	17

Similar chemical compounds in external resources
Identifier	Description
CHEBI:15347 chebi:15347 CSCPPACGZOOCGX-UHFFFAOYSA-N	acetone 2-Propanone ACETONE Aceton Acetone Azeton Dimethyl ketone Dimethylketon Propanon Pyroacetic ether beta-Ketopropane dimethylcetone dimethylketone methyl ketone propan-2-one propanone
bigg.metabolite:acetone biggM:acetone envipath:...f3f2d87cd63e envipathM:...f3f2d87cd63e envipath:...276192a69154 envipathM:...276192a69154 envipath:...08c8d13c5633 envipathM:...08c8d13c5633 CSCPPACGZOOCGX-UHFFFAOYSA-N	Acetone
kegg.drug:D02311 keggD:D02311 CSCPPACGZOOCGX-UHFFFAOYSA-N	Acetone (NF) 2-Propanone Acetone (TN)
seed.compound:cpd00178 seedM:cpd00178 CSCPPACGZOOCGX-UHFFFAOYSA-N	Acetone 2-Propanone 2-propanone Dimethyl ketone acetone dimethylketone propanone
hmdb:HMDB0001659 CSCPPACGZOOCGX-UHFFFAOYSA-N	Acetone 2-Propanone Aceton Azeton Dimethyl ketone Dimethylcetone Dimethylformaldehyde Dimethylketon Dimethylketone Methyl ketone Propanon Propanone Pyroacetic ether acetone b-Ketopropane beta-Ketopropane beta-ketopropane propan-2-one
sabiork.compound:1974 sabiorkM:1974 CSCPPACGZOOCGX-UHFFFAOYSA-N	Acetone 2-Propanone Dimethyl ketone
kegg.compound:C00207 keggC:C00207 CSCPPACGZOOCGX-UHFFFAOYSA-N	Acetone 2-Propanone Dimethyl ketone Propan-2-one
lipidmaps:LMFA12000057 lipidmapsM:LMFA12000057 CSCPPACGZOOCGX-UHFFFAOYSA-N	Propan-2-one Propan-2-one
SLM:000501121 slm:000501121 CSCPPACGZOOCGX-UHFFFAOYSA-N	acetone
CHEBI:78217 chebi:78217 CSCPPACGZOOCGX-UHFFFAOYSA-N	acetone d6 ((2)H6)propan-2-one (2H6)Acetone (CD3)2CO 2-Propanone-1,1,1,3,3,3-D6 Acetone-d6 Perdeuteroacetone hexadeuteroacetone
metacyc.compound:ACETONE metacycM:ACETONE CSCPPACGZOOCGX-UHFFFAOYSA-N	acetone 2-propanone dimethylketone propanone
vmhM:acetone vmhmetabolite:acetone CSCPPACGZOOCGX-UHFFFAOYSA-N	acetone propan-2-one
hmdb:HMDB01659 chebi:13708 chebi:22182 chebi:2398 chebi:40571 biggM:M_acetone keggC:M_C00207 keggD:M_D02311 seedM:M_cpd00178 vmhM:M_acetone	secondary/obsolete/fantasy identifier