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Details of 1,7-Dimethylxanthine

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Role Metabolite
MPIMP IDM001428
stereoisomer 
isotopomerambient
formulaC7H8N4O2
molecular mass180.164
monoisotopic mass180.06472
InChIInChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13)
InChIKeyQUNWUDVFRNGTCO-UHFFFAOYSA-N
class 
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%27933399f0-e066-4da0-8799-a5f2b2594a81%27)

Synonyms of 1,7-Dimethylxanthine

propertyvalue
CAS611-59-6
ChEBI IDChEBI:25858
ChEBI IDCHEBI:34067
ChEBI ontologyhas role central nervous system stimulant
ChEBI ontologyhas role metabolite
ChEBI ontologyis a dimethylxanthine
ChemSpider ID4525
MetaCyc1-7-DIMETHYLXANTHINE
PubChem CID4687
PubChem SID24277678
17 synonym(s)

Derivatives of 1,7-Dimethylxanthine

Reference substances of 1,7-Dimethylxanthine

Isotopomers and stereoisomers of 1,7-Dimethylxanthine

Quantitative 1,7-Dimethylxanthine 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.
NameOrganismFactorHeatmapBox plotVarianceAnova F score
no metabolite profile(s) found.

Qualitative 1,7-Dimethylxanthine Profile Data

species
no qualitative metabolite profile data available!
compound timestamp information
deposited at 9/14/2006 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
last changed at 8/7/2013 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
modified by users Strehmel N., Hummel J.
service last updated 17/02/2017 © 2008-2014 Golm Metabolome Database - All rights reserved
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