GOLM METABOLOME DATABASE

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Details of Octanoic acid methyl ester (FAME MIX)

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Role	Metabolite
MPIMP ID	M000733
stereoisomer	n-
isotopomer	ambient
formula	C9H18O2
molecular mass	158.238
monoisotopic mass	158.13068
InChI	InChI=1S/C9H18O2/c1-3-4-5-6-7-8-9(10)11-2/h3-8H2,1-2H3
InChIKey	JGHZJRVDZXSNKQ-UHFFFAOYSA-N
class	Acid (Fatty acid methyl ester)
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%271a56ee3e-501f-4327-a796-0b21c0cbd8bf%27)

Synonyms of Octanoic acid methyl ester (FAME MIX)

property	value
BRENDA	27955
CAS	111-11-5
ChemSpider ID	7800
Method [J Kopka]	Methylation
PubChem CID	8091
PubChem SID	92297478
synonym	Octanoic acid methyl ester
synonym	Octanoic acid methyl ester, n-
synonym	Octanoic acid, methyl ester
9 synonym(s)

Derivatives of Octanoic acid methyl ester (FAME MIX)

analyte	stereoisomer	isotopomer
Octanoic acid methyl ester (FAME MIX)	n-	ambient
1 analyte(s)

Reference substances of Octanoic acid methyl ester (FAME MIX)

reference substance	supplier	supplier code	lot
Octanoic acid methyl ester (FAME MIX)	Fernie AR, Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany
1 reference substance(s)

Isotopomers and stereoisomers of Octanoic acid methyl ester (FAME MIX)

metabolite	stereoisomer	isotopomer
no hits!

Quantitative Octanoic acid methyl ester (FAME MIX) 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 Octanoic acid methyl ester (FAME MIX) Profile Data

species
no qualitative metabolite profile data available!

compound timestamp information
deposited	at 7/16/2007 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	Strehmel N., Kopka J., Hummel J.

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