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

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hexan-2-one

	Properties	Image
MNX_ID	MNXM35398
reference	chebi:89206
formula	C₆H₁₂O
global charge	0
mol weight	100.161
InChIKey	QQZOPKMRPOGIEB-UHFFFAOYSA-N
InChI	InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3
SMILES	CCCCC(C)=O

MNX internals

InChI (mnx)	InChI=1/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3
SMILES (mnx)	[CH3:1][CH2:3][CH2:4][CH2:5][C:6]([CH3:2])=[O:7]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:89206 chebi:89206 QQZOPKMRPOGIEB-UHFFFAOYSA-N	hexan-2-one 2-Hexanone 2-Hexanone Methyl N-butyl ketone 2-Oxohexane Butyl methyl ketone Hexan-2-one MNBK Methyl N-butyl ketone Methyl butyl ketone N-Butyl methyl ketone N-C4H9COCH3 Propylacetone
sabiork.compound:25794 sabiorkM:25794	2-Hexanone
hmdb:HMDB0005842 QQZOPKMRPOGIEB-UHFFFAOYSA-N	2-Oxohexane 2 Hexanone 2-Hexanone 2-Hexanone methyl N-butyl ketone Butyl methyl ketone Butylmethyl ketone Hexan 2 one Hexan-2-one Ketone, butylmethyl Ketone, methyl N-butyl MBK MNBK Methyl N butyl ketone Methyl butyl ketone Methyl n-butyl ketone N-Butyl ketone, methyl N-C4H9COCH3 Propylacetone hexan-2-one hexanone n-Butyl methyl ketone
lipidmaps:LMFA12000048 lipidmapsM:LMFA12000048 QQZOPKMRPOGIEB-UHFFFAOYSA-N	Hexan-2-one Hexan-2-one
envipath:...0a94946bb6bb envipathM:...0a94946bb6bb QQZOPKMRPOGIEB-UHFFFAOYSA-N	compound 0058254
hmdb:HMDB05842	secondary/obsolete/fantasy identifier