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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
Lotus Japonicus.Gifu
this metabolite was recorded in 1 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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