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

Feedback

3-methylbutan-2-one

	Properties	Image
MNX_ID	MNXM36620
reference	chebi:179699
formula	C₅H₁₀O
global charge	0
mol weight	86.134
InChIKey	SYBYTAAJFKOIEJ-UHFFFAOYSA-N
InChI	InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3
SMILES	CC(=O)C(C)C

MNX internals

InChI (mnx)	InChI=1/C5H10O/c1-4(2)5(3)6/h4H,1-3H3
SMILES (mnx)	[CH3:1][CH:4]([CH3:2])[C:5]([CH3:3])=[O:6]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:179699 chebi:179699 SYBYTAAJFKOIEJ-UHFFFAOYSA-N	3-methylbutan-2-one 3-Methylbutan-2-one
seed.compound:cpd26076 seedM:cpd26076 SYBYTAAJFKOIEJ-UHFFFAOYSA-N	2-acetylpropane 3-methyl-2-butanone isopropyl methyl ketone
envipath:...def5e2be6af1 envipathM:...def5e2be6af1 SYBYTAAJFKOIEJ-UHFFFAOYSA-N	3-Methyl-2-butanone
sabiork.compound:23210 sabiorkM:23210 SYBYTAAJFKOIEJ-UHFFFAOYSA-N	3-Methylbutan-2-one
lipidmaps:LMFA12000024 lipidmapsM:LMFA12000024 SYBYTAAJFKOIEJ-UHFFFAOYSA-N	3-Methylbutan-2-one 3-Methylbutan-2-one
metacyc.compound:CPD0-1307 metacycM:CPD0-1307 SYBYTAAJFKOIEJ-UHFFFAOYSA-N	3-methyl-2-butanone 2-acetylpropane isopropyl methyl ketone
envipath:...d3077169b468 envipathM:...d3077169b468 SYBYTAAJFKOIEJ-UHFFFAOYSA-N	compound 0216370
seedM:M_cpd26076	secondary/obsolete/fantasy identifier