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Details of Alanine, N-(3-indolylacetyl)-

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Role	Metabolite
MPIMP ID	M000317
stereoisomer	L-
isotopomer	ambient
formula	C13H14N2O3
molecular mass	246.262
monoisotopic mass	246.10044
InChI	InChI=1S/C13H14N2O3/c1-8(13(17)18)15-12(16)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7-8,14H,6H2,1H3,(H,15,16)(H,17,18)/t8-/m0/s1
InChIKey	FBDCJLXTUCMFLF-QMMMGPOBSA-N
class	Conjugate (Indoylacetyl, Amino acid)
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%27b72a9998-c8f3-4803-baea-f3f6067aabe4%27)

Synonyms of Alanine, N-(3-indolylacetyl)-

property	value
CAS	57105-39-2
ChemSpider ID	559246
MAPMAN	N-(3-Indolylacetyl)-alanine
PubChem CID	644225
PubChem SID	92298666
synonym	Alanine, N-(3-indolylacetyl)-
synonym	Alanine, N-(3-indolylacetyl)-, L-
synonym	L-Alanine, N-(1H-indol-3-ylacetyl)- (9CI)
synonym	N-(3-Indolylacetyl)-alanine
synonym	N-(3-Indolylacetyl)-L-Alanine
10 synonym(s)

Derivatives of Alanine, N-(3-indolylacetyl)-

analyte	stereoisomer	isotopomer
Alanine, N-(3-indolylacetyl)- (3TMS)	L-	ambient
Alanine, N-(3-indolylacetyl)- (2TMS)		ambient
2 analyte(s)

Reference substances of Alanine, N-(3-indolylacetyl)-

reference substance	supplier	supplier code	lot
Alanine, N-(3-indolylacetyl)-	Aldrich	34,591-1	11906KR
1 reference substance(s)

Isotopomers and stereoisomers of Alanine, N-(3-indolylacetyl)-

metabolite	stereoisomer	isotopomer
Alanine, N-(3-indolylacetyl)-	DL-	ambient
1 metabolite(s)

Quantitative Alanine, N-(3-indolylacetyl)- 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, N-(3-indolylacetyl)- 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 2/1/2012 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
modified by users	Kopka J., Strehmel N., Hummel J.

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