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Details of 2-Ethylcaproic acid

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Role Metabolite
MPIMP IDM000432
stereoisomer 
isotopomerambient
formulaC8H16O2
molecular mass144.212
monoisotopic mass144.11503
InChIInChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
InChIKeyOBETXYAYXDNJHR-UHFFFAOYSA-N
classAcid (Fatty acid trimethylsilyl ester)
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%2718feb650-7573-4ea0-b0cd-9d8bed766547%27)

Synonyms of 2-Ethylcaproic acid

propertyvalue
Beilstein1721433
BRENDA26173
CAS149-57-5
ChemSpider ID8373
PubChem CID8697
PubChem SID92298238
synonym2-Ethylcaproic acid
synonym2-Ethyl-capronsäure
synonym2-Ethylhexanoic acid
synonymCaproic acid, 2-ethyl-
11 synonym(s)

Derivatives of 2-Ethylcaproic acid

Reference substances of 2-Ethylcaproic acid

reference substancesuppliersupplier codelot
2-Ethylcaproic acidWako056-01283 
2-Ethylcaproic acidFluka03300361200/1 31997
2 reference substance(s)

Isotopomers and stereoisomers of 2-Ethylcaproic acid

Quantitative 2-Ethylcaproic 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 2-Ethylcaproic 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 5/21/2012 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
modified by users Fehrle I., Hummel J.
service last updated 17/02/2017 © 2008-2014 Golm Metabolome Database - All rights reserved
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