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Details of Alanine, 3-cyano-

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Role	Metabolite
MPIMP ID	M000466
stereoisomer	D-
isotopomer	ambient
formula	C4H6N2O2
molecular mass	114.103
monoisotopic mass	114.04293
InChI	InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m1/s1
InChIKey	BXRLWGXPSRYJDZ-GSVOUGTGSA-N
class	Acid (Amino)
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%27459da313-1e7b-4dfd-af0b-aea8e3530351%27)

Synonyms of Alanine, 3-cyano-

property	value
CAS	6232-20-8
ChemSpider ID	4475324
PubChem CID	5316226
PubChem SID	92298323
synonym	Alanine, 3-cyano-
5 synonym(s)

Derivatives of Alanine, 3-cyano-

analyte	stereoisomer	isotopomer
no hits!

Reference substances of Alanine, 3-cyano-

reference substance	supplier	supplier code	lot
No Reference substances found!

Isotopomers and stereoisomers of Alanine, 3-cyano-

metabolite	stereoisomer	isotopomer
Alanine, 3-cyano-	D-	¹³C
Alanine, 3-cyano-	DL-	ambient
Alanine, 3-cyano-	L-	ambient
Alanine, 3-cyano-	DL-	¹³C
4 metabolite(s)

Quantitative Alanine, 3-cyano- 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 Alanine, 3-cyano- 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 8/11/2011 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
modified by users	Strehmel N., Hummel J.

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