GOLM METABOLOME DATABASE

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Details of Itaconic acid

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Role	Metabolite
MPIMP ID	M000455
stereoisomer
isotopomer	ambient
formula	C5H6O4
molecular mass	130.099
monoisotopic mass	130.02661
InChI	InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h1-2H2,(H,6,7)(H,8,9)
InChIKey	LVHBHZANLOWSRM-UHFFFAOYSA-N
class	Acid (Dicarboxylic)
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%27858f9fa0-263f-48ad-9ec6-c51a118599a1%27)

Synonyms of Itaconic acid

property	value
Beilstein	1759501
BRENDA	20983
CAS	97-65-4
ChEBI ID	ChEBI:30838
ChEBI ontology	has functional parent succinic acid
ChEBI ontology	is a dicarboxylic acid
ChEBI ontology	is conjugate acid of itaconate(2-)
ChemSpider ID	789
MapMan	itaconate
PubChem CID	811
19 synonym(s)
Page of 2 Results per page:

Derivatives of Itaconic acid

analyte	stereoisomer	isotopomer
Itaconic acid (2TMS)		ambient
Itaconic acid (2TBS)		ambient
2 analyte(s)

Reference substances of Itaconic acid

reference substance	supplier	supplier code	lot
Itaconic acid	Wako	095-02352
Itaconic acid	Fluka	59950	35701/1 64096
Itaconic acid	Fluka	59950	395113/1 21300
3 reference substance(s)

Isotopomers and stereoisomers of Itaconic acid

metabolite	stereoisomer	isotopomer
no hits!

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.

Name	Organism	Factor	Variance	Anova F score
metabolic changes during developmental senescence: a case study on Arabidopsis thaliana (single leaves)	Arabidopsis	Material, Time, Total Light	658.77	3.27
Mining for metabolic responses to long-term salt stress: a case study on the model legume Lotus japonicus (A)	Lotus	Salt	176.67	2.65
Mining for metabolic responses to long-term salt stress: a case study on the model legume Lotus japonicus (B)	Lotus	Salt	225.20	1.70
Mining for metabolic responses to long-term salt stress: a case study on the model legume Lotus japonicus (C)	Lotus	Salt	225.67	0.53
4 quantitative metabolite profile(s)

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.

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