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

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5-methyl-2-hexanone

	Properties	Image
MNX_ID	MNXM99401
reference	chebi:88432
formula	C₇H₁₄O
global charge	0
mol weight	114.188
InChIKey	FFWSICBKRCICMR-UHFFFAOYSA-N
InChI	InChI=1S/C7H14O/c1-6(2)4-5-7(3)8/h6H,4-5H2,1-3H3
SMILES	CC(=O)CCC(C)C

MNX internals

InChI (mnx)	InChI=1/C7H14O/c1-6(2)4-5-7(3)8/h6H,4-5H2,1-3H3
SMILES (mnx)	[CH3:1][CH:6]([CH3:2])[CH2:4][CH2:5][C:7]([CH3:3])=[O:8]

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:88432 chebi:88432 FFWSICBKRCICMR-UHFFFAOYSA-N	5-methyl-2-hexanone (CH3)2CHCH2CH2COCH3 2-Methyl-5-Hexanone 2-hexanone-5-methyl 5-Methyl-2-Hexanone 5-Methylhexan-2-one 5-Methylhexan-2-one [UN2302] [Flammable liquid] 5-methylhexan-2-one Isoamyl methyl ketone Isobutylacetone Isopentyl methyl ketone Ketone, methyl isoamyl MIAK Methyl isoamyl ketone Methyl isopentyl ketone
sabiork.compound:31482 sabiorkM:31482 FFWSICBKRCICMR-UHFFFAOYSA-N	5-Methyl-2-hexanone
hmdb:HMDB0031549 FFWSICBKRCICMR-UHFFFAOYSA-N	5-Methyl-2-hexanone (CH3)2chch2ch2coch3 2-Hexanone-5-methyl 2-Methyl-5-hexanone 5-Methylhexan-2-one 5-methyl-2-hexanone 5-methylhexan-2-one Isoamyl methyl ketone Isobutylacetone Isopentyl methyl ketone Ketone, methyl isoamyl MIAK Methyl isoamyl ketone Methyl isopentyl ketone
lipidmaps:LMFA12000037 lipidmapsM:LMFA12000037 FFWSICBKRCICMR-UHFFFAOYSA-N	5-Methylhexan-2-one 5-Methylhexan-2-one
envipath:...c1403d308a56 envipathM:...c1403d308a56 FFWSICBKRCICMR-UHFFFAOYSA-N	compound 0047304
hmdb:HMDB31549	secondary/obsolete/fantasy identifier