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Details of Ibuprofen

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Role	Metabolite
MPIMP ID	M001415
stereoisomer
isotopomer	ambient
formula	C13H18O2
molecular mass	206.281
monoisotopic mass	206.13068
InChI	InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)
InChIKey	HEFNNWSXXWATRW-UHFFFAOYSA-N
class
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%274d366459-3ade-4d0f-a844-0a615ccc0fea%27)

Synonyms of Ibuprofen

property	value
CAS	15687-27-1
ChEBI ID	ChEBI:5855
ChEBI ontology	has functional parent propionic acid
ChEBI ontology	has role antipyretic
ChEBI ontology	has role cyclooxygenase 1 inhibitor
ChEBI ontology	has role cyclooxygenase 2 inhibitor
ChEBI ontology	has role non-narcotic analgesic
ChEBI ontology	has role non-steroidal anti-inflammatory drug
ChEBI ontology	is a monocarboxylic acid
ChemSpider ID	3544
68 synonym(s)
Page of 7 Results per page:

Derivatives of Ibuprofen

analyte	stereoisomer	isotopomer
Ibuprofen (1TMS)		ambient
1 analyte(s)

Reference substances of Ibuprofen

reference substance	supplier	supplier code	lot
Ibuprofen	Sigma	I4883
1 reference substance(s)

Isotopomers and stereoisomers of Ibuprofen

metabolite	stereoisomer	isotopomer
no hits!

Quantitative Ibuprofen 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 Ibuprofen Profile Data

species
no qualitative metabolite profile data available!

compound timestamp information
deposited	at 9/14/2006 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
last changed	at 10/1/2012 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
modified by users	Hummel J.

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