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Details of Caffeine

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Role Metabolite
MPIMP IDM000541
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
classPurine
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%2707e4fb58-fd79-4175-8e3d-05bf96954522%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)

Derivatives of Caffeine

analytestereoisomerisotopomer
Caffeineno ambient
1 analyte(s)

Reference substances of Caffeine

reference substancesuppliersupplier codelot
CaffeineSigmaC0750 
CaffeineSigmaC0750014K0034
2 reference substance(s)

Isotopomers and stereoisomers of Caffeine

Quantitative Caffeine 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 Caffeine Profile Data

species
no qualitative metabolite profile data available!
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 04/12/2020 © 2008-2014 Golm Metabolome Database - All rights reserved
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