GOLM METABOLOME DATABASE

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Details of Caffeine

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Role	Metabolite
MPIMP ID	M000541
stereoisomer	no
isotopomer	ambient
formula	C8H10N4O2
molecular mass	194.191
monoisotopic mass	194.08037
InChI	InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
InChIKey	RYYVLZVUVIJVGH-UHFFFAOYSA-N
class	Purine
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%2707e4fb58-fd79-4175-8e3d-05bf96954522%27)

Synonyms of Caffeine

property	value
BRENDA	25530
CAS	58-08-2
ChEBI ID	ChEBI:27732
ChEBI ontology	has role central nervous system stimulant
ChEBI ontology	has role mutagen
ChEBI ontology	has role phosphodiesterase inhibitor
ChEBI ontology	has role ryanodine receptor modulator
ChEBI ontology	is a trimethylxanthine
ChemSpider ID	2424
MetaCyc	1-3-7-TRIMETHYLXANTHINE
34 synonym(s)
Page of 4 Results per page:

Derivatives of Caffeine

analyte	stereoisomer	isotopomer
Caffeine	no	ambient
1 analyte(s)

Reference substances of Caffeine

reference substance	supplier	supplier code	lot
Caffeine	Sigma	C0750
Caffeine	Sigma	C0750	014K0034
2 reference substance(s)

Isotopomers and stereoisomers of Caffeine

metabolite	stereoisomer	isotopomer
no hits!

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.

Name	Organism	Factor	Heatmap	Box plot	Variance	Anova 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.

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