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Details of beta-indole-3-acetonitrile

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Role	Metabolite
MPIMP ID	M000593
stereoisomer	no
isotopomer	ambient
formula	C10H8N2
molecular mass	156.184
monoisotopic mass	156.06875
InChI	InChI=1S/C10H8N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5H2
InChIKey	DMCPFOBLJMLSNX-UHFFFAOYSA-N
class	Indole
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%2771c17b3a-ca19-4822-a4e7-d424f7074b4c%27)

Synonyms of beta-indole-3-acetonitrile

property	value
BRENDA	1961
CAS	771-51-7
ChEBI ID	ChEBI:17566
ChEBI ontology	has functional parent acetonitrile
ChEBI ontology	has role auxin
ChEBI ontology	has role phytohormone
ChEBI ontology	has role plant growth hormone
ChEBI ontology	is a indoles
ChemSpider ID	312357
MAPMAN	beta-Indole-3-acetonitrile
24 synonym(s)
Page of 3 Results per page:

Derivatives of beta-indole-3-acetonitrile

analyte	stereoisomer	isotopomer
Indole-3-acetonitrile (1TMS)		ambient
1 analyte(s)

Reference substances of beta-indole-3-acetonitrile

reference substance	supplier	supplier code	lot
beta-indole-3-acetonitrile	Sigma	I3375	104H0105
beta-indole-3-acetonitrile	Aldrich	12,945-3
beta-indole-3-acetonitrile	Sigma	36557	3027X
3 reference substance(s)

Isotopomers and stereoisomers of beta-indole-3-acetonitrile

metabolite	stereoisomer	isotopomer
no hits!

Quantitative beta-indole-3-acetonitrile 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
metabolic changes during developmental senescence: a case study on Arabidopsis thaliana (single leaves)	Arabidopsis	Material, Time, Total Light			830.59	19.07
1 quantitative metabolite profile(s)

Qualitative beta-indole-3-acetonitrile Profile Data

species
Arabidopsis thaliana.Col-0
this metabolite was recorded in 1 species

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 8/7/2013 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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