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Details Caffeine

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Role	Reference Substance
name	Caffeine
MPIMP ID	R001600
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
supplier	Sigma
supplier code	C0750
lot	014K0034
purity
solubility
general	harmful
amount	25
amount unit	G
store temperature 1	RT
store temperature 2	RT
store dry	False
store under argon	False
store in dark	False
contributing author	Kunert 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 order	2005-03-01
date in	2005-04-01
date out
date expired
box number	84
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/ReferenceSubstance(guid%276f89dea4-8925-4685-9f02-cf5872636fff%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:

Metabolites mapped to Caffeine

metabolite	stereoisomer	isotopomer
Caffeine	no	ambient
1 metabolite(s)

Replica of Caffeine

reference substance	supplier	supplier code	lot
Caffeine	Sigma	C0750
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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