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Details of Mesaconic acid

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Role Metabolite
MPIMP IDM000411
stereoisomerE-
isotopomerambient
formulaC5H6O4
molecular mass130.099
monoisotopic mass130.02661
InChIInChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2+
InChIKeyHNEGQIOMVPPMNR-NSCUHMNNSA-N
classAcid (Dicarboxylic)
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%27fb1827e3-2a34-43a5-bddc-481fc6606513%27)

Synonyms of Mesaconic acid

propertyvalue
BRENDA20985
CAS498-24-8
ChEBI IDCHEBI:16600
ChEBI ontologyhas functional parent fumaric acid
ChEBI ontologyhas role secondary metabolite
ChEBI ontologyis a dicarboxylic acid
ChEBI ontologyis conjugate acid of mesaconate(2-)
ChemSpider ID10289044
PubChem CID638129
PubChem SID92297796
20 synonym(s)
    of 2    

Derivatives of Mesaconic acid

Reference substances of Mesaconic acid

reference substancesuppliersupplier codelot
Mesaconic acidAldrich13,104-4 
Mesaconic acidAldrich13,104-0S02029-044
Mesaconic acidAldrich13,104-0S02029-343
3 reference substance(s)

Isotopomers and stereoisomers of Mesaconic acid

Quantitative Mesaconic 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.

Qualitative Mesaconic acid Profile Data

species
Arabidopsis thaliana.Col-0
this metabolite was recorded in 1 species
compound timestamp information
deposited at 8/29/2006 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, 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 Hummel J.
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