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Details of 2,2 Di-n-propylacetic acid

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Role	Metabolite
MPIMP ID	M000448
stereoisomer
isotopomer	ambient
formula	C8H16O2.C7H17NO5
molecular mass	339.426
monoisotopic mass	339.22570
InChI	InChI=1S/C8H16O2.C7H17NO5/c1-3-5-7(6-4-2)8(9)10;1-8-2-4(10)6(12)7(13)5(11)3-9/h7H,3-6H2,1-2H3,(H,9,10);4-13H,2-3H2,1H3/t;4-,5+,6+,7+/m.0/s1
InChIKey	ZGZYLBZPKMNKGH-WZTVWXICSA-N
class	Acid (Fatty acid trimethylsilyl ester)
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%27cfbe24e6-cd89-49f7-b65d-4f0e8f171ff1%27)

Synonyms of 2,2 Di-n-propylacetic acid

property	value
Beilstein	1750447
CAS	99-66-1
ChemSpider ID	24534225
PubChem SID	92297830
synonym	2,2 Di-n-propylacetic acid
synonym	Pentanoic acid, 2-propyl-
synonym	Valproic acid
7 synonym(s)

Derivatives of 2,2 Di-n-propylacetic acid

analyte	stereoisomer	isotopomer
Pentanoic acid, 2-propyl- (1TMS)		ambient
1 analyte(s)

Reference substances of 2,2 Di-n-propylacetic acid

reference substance	supplier	supplier code	lot
2,2 Di-n-propylacetic acid	Avocado	12962	C2670A
1 reference substance(s)

Isotopomers and stereoisomers of 2,2 Di-n-propylacetic acid

metabolite	stereoisomer	isotopomer
no hits!

Quantitative 2,2 Di-n-propylacetic 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 2,2 Di-n-propylacetic 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 9/25/2018 by Fehrle I., Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany
modified by users	Hummel J., Fehrle I.

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