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Details of Mandelic acid

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Role Metabolite
MPIMP IDM000222
stereoisomerDL-
isotopomerambient
formulaC8H8O3
molecular mass152.148
monoisotopic mass152.04735
InChIInChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)
InChIKeyIWYDHOAUDWTVEP-UHFFFAOYSA-N
classAcid (Aromatic)
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%2714a53e4a-8315-42a7-9d60-de06ccbb1af9%27)

Synonyms of Mandelic acid

propertyvalue
CAS90-64-2
ChEBI IDChEBI:35825
ChEBI ontologyhas functional parent acetic acid
ChEBI ontologyis a 2-hydroxy monocarboxylic acid
ChEBI ontologyis conjugate acid of mandelate
ChemSpider ID1253
MAPMANMandelate
note611-72-3
notesearch for CAS-ID
PubChem CID1292
20 synonym(s)
    of 2    

Derivatives of Mandelic acid

Reference substances of Mandelic acid

reference substancesuppliersupplier codelot
Mandelic acidMerck8.06913.1000 
Mandelic acidMerck8.06913.1000 
2 reference substance(s)

Isotopomers and stereoisomers of Mandelic acid

Quantitative Mandelic 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 Mandelic 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 9/6/2011 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
modified by users Kopka J., Strehmel N., Hummel J.
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