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Details of Theophylline

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Role Metabolite
MPIMP IDM001025
stereoisomer 
isotopomerambient
formulaC7H8N4O2
molecular mass180.164
monoisotopic mass180.06472
InChIInChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
InChIKeyZFXYFBGIUFBOJW-UHFFFAOYSA-N
class 
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%27a3133d49-aab6-49a1-b60b-b5198f327d3f%27)

Synonyms of Theophylline

propertyvalue
BRENDA26765
CAS58-55-9
ChemSpider ID2068
MetaCycCPD-12479
PubChem CID2153
PubChem SID24277677
PubChem SID92298352
synonym1,3-Dimethylxanthine
synonym3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione
synonymTheophylline
11 synonym(s)
    of 2    

Derivatives of Theophylline

Reference substances of Theophylline

reference substancesuppliersupplier codelot
TheophyllineSigmaT1633 
TheophyllineSigmaT1633093K0122
2 reference substance(s)

Isotopomers and stereoisomers of Theophylline

Quantitative Theophylline 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 Theophylline Profile Data

species
no qualitative metabolite profile data available!
compound timestamp information
deposited at 4/15/2009 by Strehmel N., 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 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.
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service last updated 31/08/2021 © 2008-2014 Golm Metabolome Database - All rights reserved
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