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Details of Ibuprofen

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Role Metabolite
MPIMP IDM001415
stereoisomer 
isotopomerambient
formulaC13H18O2
molecular mass206.281
monoisotopic mass206.13068
InChIInChI=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)
InChIKeyHEFNNWSXXWATRW-UHFFFAOYSA-N
class 
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%274d366459-3ade-4d0f-a844-0a615ccc0fea%27)

Synonyms of Ibuprofen

propertyvalue
CAS15687-27-1
ChEBI IDChEBI:5855
ChEBI ontologyhas functional parent propionic acid
ChEBI ontologyhas role antipyretic
ChEBI ontologyhas role cyclooxygenase 1 inhibitor
ChEBI ontologyhas role cyclooxygenase 2 inhibitor
ChEBI ontologyhas role non-narcotic analgesic
ChEBI ontologyhas role non-steroidal anti-inflammatory drug
ChEBI ontologyis a monocarboxylic acid
ChemSpider ID3544
68 synonym(s)

Derivatives of Ibuprofen

Reference substances of Ibuprofen

reference substancesuppliersupplier codelot
IbuprofenSigmaI4883 
1 reference substance(s)

Isotopomers and stereoisomers of Ibuprofen

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.
NameOrganismFactorHeatmapBox plotVarianceAnova 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.
service last updated 04/12/2020 © 2008-2014 Golm Metabolome Database - All rights reserved
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