GOLM METABOLOME DATABASE

Details of Acetoacetic acid

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Role Metabolite
MPIMP IDM000887
stereoisomer 
isotopomerambient
formulaC4H6O3
molecular mass102.089
monoisotopic mass102.03170
InChIInChI=1S/C4H6O3/c1-3(5)2-4(6)7/h2H2,1H3,(H,6,7)
InChIKeyWDJHALXBUFZDSR-UHFFFAOYSA-N
class 
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%27a6dba337-e696-4022-a9f9-1757e3cdbfae%27)

Synonyms of Acetoacetic acid

propertyvalue
BRENDA48725
CAS541-50-4
ChEBI IDChEBI:15344
ChEBI ontologyhas functional parent butyric acid
ChEBI ontologyhas role secondary metabolite
ChEBI ontologyis a 3-oxo monocarboxylic acid
ChEBI ontologyis a short-chain fatty acid
ChEBI ontologyis a straight-chain saturated fatty acid
ChEBI ontologyis conjugate acid of acetoacetate
ChemSpider ID94
18 synonym(s)

Derivatives of Acetoacetic acid

Reference substances of Acetoacetic acid

reference substancesuppliersupplier codelot
No Reference substances found!

Isotopomers and stereoisomers of Acetoacetic acid

Quantitative Acetoacetic acid Profile Data

Each graph visualises metabolite concentrations across a single metabolite profiling experiment. Each box plot represents relative (normalised) metabolite concentrations for single replica groups in the specific metabolite profiling experiment.
NameOrganismFactorHeatmapBox plotVarianceAnova F score
no metabolite profile(s) found.

Qualitative Acetoacetic acid Profile Data

species
no qualitative metabolite profile data available!
compound timestamp information
deposited at 4/8/2009 by Strehmel N., Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany
last changed at 10/1/2012 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
modified by users Strehmel N., Hummel J.
service last updated 17/02/2017 © 2008-2014 Golm Metabolome Database - All rights reserved
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