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Details of 2-Ethylcaproic acid

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Role	Metabolite
MPIMP ID	M000432
stereoisomer
isotopomer	ambient
formula	C8H16O2
molecular mass	144.212
monoisotopic mass	144.11503
InChI	InChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
InChIKey	OBETXYAYXDNJHR-UHFFFAOYSA-N
class	Acid (Fatty acid trimethylsilyl ester)
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%2718feb650-7573-4ea0-b0cd-9d8bed766547%27)

Synonyms of 2-Ethylcaproic acid

property	value
Beilstein	1721433
BRENDA	26173
CAS	149-57-5
ChemSpider ID	8373
PubChem CID	8697
PubChem SID	92298238
synonym	2-Ethylcaproic acid
synonym	2-Ethyl-capronsäure
synonym	2-Ethylhexanoic acid
synonym	Caproic acid, 2-ethyl-
11 synonym(s)
Page of 2 Results per page:

Derivatives of 2-Ethylcaproic acid

analyte	stereoisomer	isotopomer
Hexanoic acid, 2-ethyl- (1TMS)		ambient
Hexanoic acid, 2-ethyl- (1TBS)		ambient
2 analyte(s)

Reference substances of 2-Ethylcaproic acid

reference substance	supplier	supplier code	lot
2-Ethylcaproic acid	Wako	056-01283
2-Ethylcaproic acid	Fluka	03300	361200/1 31997
2 reference substance(s)

Isotopomers and stereoisomers of 2-Ethylcaproic acid

metabolite	stereoisomer	isotopomer
no hits!

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.

Name	Organism	Factor	Heatmap	Box plot	Variance	Anova 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.

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