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Details of Acetylsalicylic acid

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Role Metabolite
MPIMP IDM000310
stereoisomerno
isotopomerambient
formulaC9H8O4
molecular mass180.158
monoisotopic mass180.04226
InChIInChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
InChIKeyBSYNRYMUTXBXSQ-UHFFFAOYSA-N
classAcid (Aromatic, Acetyl)
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%27d41527a7-a9eb-472d-a7fc-312821130549%27)

Synonyms of Acetylsalicylic acid

propertyvalue
BRENDA28315
CAS50-78-2
ChEBI IDChEBI:15365
ChEBI ontologyhas functional parent salicylic acid
ChEBI ontologyhas role anticoagulant
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
42 synonym(s)
    of 5    

Derivatives of Acetylsalicylic acid

Reference substances of Acetylsalicylic acid

reference substancesuppliersupplier codelot
Acetylsalicylic acidSigmaA5376 
Acetylsalicylic acidSigmaA5376033K0026
2 reference substance(s)

Isotopomers and stereoisomers of Acetylsalicylic acid

Quantitative Acetylsalicylic acid 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 Acetylsalicylic acid Profile Data

species
no qualitative metabolite profile data available!
compound timestamp information
deposited at 8/29/2006 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 Strehmel N., Hummel J.
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