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Details Caffeine

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Role Reference Substance
nameCaffeine
MPIMP IDR001600
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
lot014K0034
purity 
solubility 
generalharmful
amount25
amount unitG
store temperature 1RT
store temperature 2RT
store dryFalse
store under argonFalse
store in darkFalse
contributing authorKunert A, Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany
date of order2005-03-01
date in2005-04-01
date out 
date expired 
box number84
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/ReferenceSubstance(guid%276f89dea4-8925-4685-9f02-cf5872636fff%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)

Metabolites mapped to Caffeine

metabolitestereoisomerisotopomer
Caffeineno ambient
1 metabolite(s)

Replica of Caffeine

reference substancesuppliersupplier codelot
CaffeineSigmaC0750 
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.
service last updated 17/02/2017 © 2008-2014 Golm Metabolome Database - All rights reserved
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