GOLM METABOLOME DATABASE

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Details of cis-Aconitic acid

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Role	Metabolite
MPIMP ID	M000113
stereoisomer	Z-
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-IWQZZHSRSA-N
class	Acid (Tricarboxylic)
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%2770398f21-6d08-4f6f-8e72-7ad7efc52a8b%27)

Synonyms of cis-Aconitic acid

property	value
Beilstein	1725829
BRENDA	23413
CAS	585-84-2
ChEBI ID	ChEBI:32805
ChEBI ontology	is a aconitic acid
ChEBI ontology	is conjugate acid of cis-aconitate(3-)
ChemSpider ID	558863
MapMan	aconitate
PubChem CID	643757
PubChem SID	24890769
22 synonym(s)
Page of 3 Results per page:

Derivatives of cis-Aconitic acid

analyte	stereoisomer	isotopomer
Aconitic acid, cis- (3TMS)		ambient
1 analyte(s)

Reference substances of cis-Aconitic acid

reference substance	supplier	supplier code	lot
cis-Aconitic acid	Sigma	A3412	091K5302
cis-Aconitic acid	Aldrich	122750
cis-Aconitic acid	Sigma	A3412	107H5234
cis-Aconitic acid	Avocado	502-79821
cis-Aconitic acid	Sigma	A3412
5 reference substance(s)

Isotopomers and stereoisomers of cis-Aconitic acid

metabolite	stereoisomer	isotopomer
no hits!

Quantitative cis-Aconitic 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
Mining for metabolic responses to long-term salt stress: a case study on Arabidopsis thaliana Col-0 (C)	Arabidopsis	Salt	601.72	20.74
Mining for metabolic responses to long-term salt stress: a case study on Arabidopsis thaliana Col-0 (B)	Arabidopsis	Salt	590.24	9.28
metabolic changes during developmental senescence: a case study on Arabidopsis thaliana (single leaves)	Arabidopsis	Material, Time, Total Light	604.80	8.38
Inorganic Carbon Limitation in Cells of the Wild Type and Photorespiratory Mutants of the Cyanobacterium Synechocystis sp. Strain PCC 6803	Synechocystis.PCC	Germplasm, Time	466.63	6.75
Mining for metabolic responses to long-term salt stress: a case study on the model legume Lotus japonicus (A)	Lotus	Salt	315.21	4.78
Mining for metabolic responses to long-term salt stress: a case study on Arabidopsis thaliana Col-0 (A)	Arabidopsis	Salt	589.13	4.50
Mining for metabolic responses to long-term salt stress: a case study on the model legume Lotus japonicus (C)	Lotus	Salt	300.66	3.53
Metabolomic responses to long-term salt stress in related Lotus species (B)	Lotus	Germplasm, Salt	291.65	3.36
8 quantitative metabolite profile(s)

Qualitative cis-Aconitic acid Profile Data

species
Arabidopsis thaliana.Col-0
Lotus burtii.B303
Lotus corniculatus.San Gabriel
Lotus creticus
Lotus filicaulis
Lotus Japonicus.Gifu
Lotus japonicus.Gifu B129
Lotus japonicus.MG20
Lotus tenuis.La Esmeralda
Lotus uliginosus.LE G27
this metabolite was recorded in 13 species
Page of 2 Results per page:

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 9/24/2018 by Fehrle I., Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany
modified by users	Hummel J., Fehrle I.

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