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Details of Aconitic acid, trans-

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Role	Metabolite
MPIMP ID	M000600
stereoisomer	E-
isotopomer	ambient
formula	C6H6O6
molecular mass	174.108
monoisotopic mass	174.01644
InChI	InChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/b3-1+
InChIKey	GTZCVFVGUGFEME-HNQUOIGGSA-N
class	Acid (Tricarboxylic)
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%273e5fe8f1-643f-407e-841a-8ff4e837f331%27)

Synonyms of Aconitic acid, trans-

property	value
Beilstein	1725830
CAS	4023-65-8
ChEBI ID	ChEBI:32806
ChEBI ontology	is a aconitic acid
ChEBI ontology	is conjugate acid of trans-aconitate(3-)
ChemSpider ID	392201
PubChem CID	444212
PubChem SID	92298172
synonym	(1E)-1-propene-1,2,3-tricarboxylic acid
synonym	(1E)-prop-1-ene-1,2,3-tricarboxylic acid
13 synonym(s)
Page of 2 Results per page:

Derivatives of Aconitic acid, trans-

analyte	stereoisomer	isotopomer
TRANS-ACONITIC ACID, TBS 4X		ambient
Aconitic acid, trans- (3TMS)		ambient
2 analyte(s)

Reference substances of Aconitic acid, trans-

reference substance	supplier	supplier code	lot
No Reference substances found!

Isotopomers and stereoisomers of Aconitic acid, trans-

metabolite	stereoisomer	isotopomer
no hits!

Quantitative Aconitic acid, trans- 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	Heatmap	Box plot	Variance	Anova F score
no metabolite profile(s) found.

Qualitative Aconitic acid, trans- Profile Data

species
no qualitative metabolite profile data available!

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 9/6/2011 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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