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Details Caffeine

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Role Reference Substance
nameCaffeine
MPIMP IDR002313
stereoisomerno
isotopomerambient
formulaC8H10N4O2
molecular mass194.191
monoisotopic mass194.08037
InChIInChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
InChIKeyRYYVLZVUVIJVGH-UHFFFAOYSA-N
supplierSigma
supplier codeC0750
lot 
purity 
solubility 
general 
amount 
amount unit 
store temperature 1 
store temperature 2 
store dry 
store under argon 
store in dark 
contributing authorKusano, 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%276f382797-2ab1-442b-9e03-caaf91717432%27)

Synonyms of Caffeine

propertyvalue
BRENDA25530
CAS58-08-2
ChEBI IDChEBI:27732
ChEBI ontologyhas role central nervous system stimulant
ChEBI ontologyhas role mutagen
ChEBI ontologyhas role phosphodiesterase inhibitor
ChEBI ontologyhas role ryanodine receptor modulator
ChEBI ontologyis a trimethylxanthine
ChemSpider ID2424
MetaCyc1-3-7-TRIMETHYLXANTHINE
34 synonym(s)
    of 4    

Metabolites mapped to Caffeine

metabolitestereoisomerisotopomer
Caffeineno ambient
1 metabolite(s)

Replica of Caffeine

reference substancesuppliersupplier codelot
CaffeineSigmaC0750014K0034
1 reference substance(s)
compound timestamp information
deposited at 7/16/2007 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
last changed at 11/26/2013 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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