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Details of Itaconic acid

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Role Metabolite
MPIMP IDM000455
stereoisomer 
isotopomerambient
formulaC5H6O4
molecular mass130.099
monoisotopic mass130.02661
InChIInChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h1-2H2,(H,6,7)(H,8,9)
InChIKeyLVHBHZANLOWSRM-UHFFFAOYSA-N
classAcid (Dicarboxylic)
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%27858f9fa0-263f-48ad-9ec6-c51a118599a1%27)

Synonyms of Itaconic acid

propertyvalue
Beilstein1759501
BRENDA20983
CAS97-65-4
ChEBI IDChEBI:30838
ChEBI ontologyhas functional parent succinic acid
ChEBI ontologyis a dicarboxylic acid
ChEBI ontologyis conjugate acid of itaconate(2-)
ChemSpider ID789
MapManitaconate
PubChem CID811
19 synonym(s)

Derivatives of Itaconic acid

Reference substances of Itaconic acid

reference substancesuppliersupplier codelot
Itaconic acidWako095-02352 
Itaconic acidFluka5995035701/1 64096
Itaconic acidFluka59950395113/1 21300
3 reference substance(s)

Isotopomers and stereoisomers of Itaconic acid

Quantitative Itaconic 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 Itaconic acid Profile Data

species
Arabidopsis thaliana.Col-0
Lotus Japonicus.Gifu
this metabolite was recorded in 2 species
compound timestamp information
deposited at 6/11/2009 by Kuczmierczyk M., 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 5/21/2012 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
modified by users Kopka J., Hummel J.
service last updated 17/02/2017 © 2008-2014 Golm Metabolome Database - All rights reserved
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