Details Caffeine

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Role	Reference Substance
name	Caffeine
MPIMP ID	R002313
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
purity
solubility
general
amount
amount unit
store temperature 1
store temperature 2
store dry
store under argon
store in dark
contributing author	Kusano, 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+xml	http://gmd-dev.mpimp-golm.mpg.de/REST/gmd.svc/ReferenceSubstance(guid%276f382797-2ab1-442b-9e03-caaf91717432%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:

metabolite	stereoisomer	isotopomer
Caffeine	no	ambient
1 metabolite(s)

reference substance	supplier	supplier code	lot
Caffeine	Sigma	C0750	014K0034
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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