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

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The Swiss Initiative in Systems Biology

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Methylacetoacetic acid

Properties

Image

Occurences in reactions

MNX_ID

MNXM61723

Image of MNXM61723

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₅H₈O₃

charge

0

mass

116.04734

reference

InChIKey

WRQNANDWMGAFTP-UHFFFAOYSA-N

InChI

InChI=1S/C5H8O3/c1-4(6)3-5(7)8-2/h3H2,1-2H3

SMILES

COC(=O)CC(C)=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:166454 chebi:166454	Methylacetoacetic acid methyl 3-oxobutanoate
sabiork.compound:27924 sabiorkM:27924	Methyl acetoacetate
hmdb:HMDB0000310	Methylacetoacetic acid 1-Methoxybutane-1,3-dione 3-Oxobutanoate 3-Oxobutanoic acid 3-Oxobutanoic acid methyl ester 3-Oxobutyric acid methyl ester 3-oxo-Butanoate 3-oxo-Butanoic acid 3-oxo-Butanoic acid methyl ester Acetoacetate methyl ester Acetoacetic acid methyl ester Acetoacetic methyl ester Methyl 3-oxobutanoate Methyl 3-oxobutanoic acid Methyl 3-oxobutyrate Methyl acetoacetate Methyl acetylacetate Methyl acetylacetonate Methylacetoacetate methyl 3-oxobutanoate methyl acetoacetate
hmdb:HMDB00310	secondary/obsolete/fantasy identifier