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Details Theophylline

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Role Reference Substance
nameTheophylline
MPIMP IDR002746
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
supplierSigma
supplier codeT1633
lot 
purity 
solubility 
general 
amount 
amount unit 
store temperature 1 
store temperature 2 
store dry 
store under argon 
store in dark 
contributing authorIzumikawa, RIKEN Plant Service Center, Metabolome Analysis Research Team, 1-7-22 Suehiro-cho, Tsurumi-ku, Yokohama, Kanagawa, 230-0045, JAPAN
date of order 
date in 
date out 
date expired 
box number 
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/ReferenceSubstance(guid%2766b7b16a-0bfe-4eca-be1c-55f9f1139f41%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)

Metabolites mapped to Theophylline

Replica of Theophylline

reference substancesuppliersupplier codelot
TheophyllineSigmaT1633093K0122
1 reference substance(s)
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.
service last updated 04/12/2020 © 2008-2014 Golm Metabolome Database - All rights reserved
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