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

SystemsX.ch
The Swiss Initiative in Systems Biology

Feedback

diacetone alcohol

Properties

Image

Occurences in reactions

MNX_ID

MNXM50293

Image of MNXM50293

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

formula

C₆H₁₂O₂

charge

0

mass

116.08373

reference

InChIKey

SWXVUIWOUIDPGS-UHFFFAOYSA-N

InChI

InChI=1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3

SMILES

CC(=O)CC(C)(C)O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:55381 chebi:55381	diacetone alcohol 2-Methyl-2-pentanol-4-one 4-Hydroxy-2-keto-4-methylpentane 4-Hydroxy-4-methyl-2-pentanone 4-hydroxy-4-methylpentan-2-one Acetonyldimethylcarbinol Diacetonalkohol Diacetone-alcool Diacetonyl alcohol Dimethyl acetonyl carbinol
lipidmaps:LMFA12000071 lipidmapsM:LMFA12000071	4-Hydroxy-4-methylpentan-2-one 4-Hydroxy-4-methylpentan-2-one
hmdb:HMDB0031511	Diacetone alcohol (CH3)2C(OH)CH2C(O)CH3 2-Hydroxy-2-methyl-4-pentanone 2-Methyl-2-pentanol-4-one 2-Methyl-3-pentanol-4-one 4-Hydroxy-2-keto-4-methylpentane 4-Hydroxy-4-methyl pentan-2-one 4-Hydroxy-4-methyl-2-pentanone 4-Hydroxy-4-methyl-pentan-2-ON 4-Hydroxy-4-methylpentan-2-one 4-Hydroxy-4-methylpentanone 4-Hydroxy-4-methylpentanone-2 4-Idrossi-4-metil-pentan-2-one 4-Methyl-2-pentanon-4-ol 4-Methyl-4-hydroxy-2-pentanone 4-hydroxy-4-methylpentan-2-one Acetonyldimethylcarbinol Diacetonalcohol Diacetonalcool Diacetonalkohol Diacetone Diacetone-alcool Diacetonealcool Diacetonyl alcohol Diketone alcohol Dimethyl acetonyl carbinol Hydroxy-4-methyl-2-pentanone Pyranton Pyranton a Pyraton Tyranton diacetone alcohol
envipath:...fab1c3ac7cf5 envipathM:...fab1c3ac7cf5	compound 0285233
hmdb:HMDB31511	secondary/obsolete/fantasy identifier