(Q27102461)

Gene Ontology release 2020-05-02

Rhea release 113

indole-3-acetonitrile nitrilase activity

1 reference

reference URL

http://geneontology.org/external2go/rhea2go

1 February 2021

chemical structure

Indoleacetonitrile.svg
256 × 191; 5 KB

0 references

mass

156.068748±0 dalton

1 reference

3-Indoleacetonitrile (English)

5 October 2016

chemical formula

C₁₀H₈N₂

1 reference

3-Indoleacetonitrile (English)

5 October 2016

canonical SMILES

C1=CC=C2C(=C1)C(=CN2)CC#N

1 reference

3-Indoleacetonitrile (English)

5 October 2016

melting point

36.0 degree Celsius

1 reference

Jean-Claude Bradley Open Melting Point Dataset

found in taxon

Rorippa indica

1 reference

Glucosinolates of seven medicinal plants from Thailand

Eutrema halophilum

1 reference

Photochemical dimerization of wasalexins in UV-irradiated Thellungiella halophila and in vitro generates unique cruciferous phytoalexins

Brassica juncea

1 reference

Indoles in Edible Members of the Cruciferae

Brassica oleracea

4 references

Light-induced auxin-inhibiting substance from cabbage (Brassica oleacea L.) shoots

High-performance liquid chromatographic analysis of anticarcinogenic indoles in Brassica oleracea

Indoles in Edible Members of the Cruciferae

S-methyl methane thiosulfonate, a new antimutagenic compound isolated from Brassica oleracea L. var. botrytis.

Brassica rapa

1 reference

Indoles in Edible Members of the Cruciferae

Isatis tinctoria

4 references

A Novel Anthranilic Acid Derivative from Isatis tinctoria

Insecticidal and fungicidal compounds from Isatis tinctoria

Alkaloids from the root of Isatis indigotica

A comprehensive metabolite profiling of Isatis tinctoria leaf extracts

radish

1 reference

Three sulphur-containing stress metabolites from Japanese radish

Pisum sativum

2 references

Untersuchungen über die Wuchsstoffleitung bei verbänderten und unverbänderten Formen von Pisum sativum

Untersuchungen �ber den Tryptophangehalt verb�nderter und unverb�nderter Formen von Pisum sativum

Pseudomonas cichorii

1 reference

Antifungal compounds from Dioscorea batatas inoculated with Pseudomonas cichorii

Rorippa dubia

1 reference

Glucosinolates of seven medicinal plants from Thailand

Arabidopsis thaliana

2 references

Arabidopsis thaliana auxotrophs reveal a tryptophan-independent biosynthetic pathway for indole-3-acetic acid

Indole glucosinolate and auxin biosynthesis in Arabidopsis thaliana (L.) Heynh. glucosinolate mutants and the development of clubroot disease

1 reference

https://plantreactome.gramene.org/PathwayBrowser/#/R-OSA-2744345&DTAB=MT

Identifiers

InChI

InChI=1S/C10H8N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5H2

1 reference

3-Indoleacetonitrile (English)

5 October 2016

2 references

3-Indoleacetonitrile (English)

5 October 2016

ChEBI release 2020-09-01

2 references

indole-3-acetonitrile (English)

5 October 2016

https://commonchemistry.cas.org/detail?cas_rn=771-51-7

9 April 2021

1 reference

3-Indoleacetonitrile (English)

5 October 2016

2 references

3-Indoleacetonitrile (English)

5 October 2016

Reaxys registry number

125488

1 reference

indole-3-acetonitrile (English)

5 October 2016

ChEBI ID

17566

mapping relation type

2 references

indole-3-acetonitrile (English)

5 October 2016

International Chemical Identifier

InChI

InChI=1S/C10H8N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5H2

1 reference

CHEMBL1812654 (English)

5 October 2016

2 references

inferred from InChIKey

splash10-001i-0900000000-dba18a56ff6cbe01fe5c

1 reference

MassBank accession ID

MSBNK-RIKEN-PR010109

0 references

MSBNK-RIKEN-PR100049

0 references

MSBNK-RIKEN-PR100050

0 references

MSBNK-IPB_Halle-PB006044

0 references

MSBNK-IPB_Halle-PB006045

0 references

MSBNK-IPB_Halle-PB006046

0 references

MSBNK-Kazusa-KZ000215

0 references

MSBNK-Keio_Univ-KO001206

0 references

MSBNK-Keio_Univ-KO001207

0 references

MSBNK-Keio_Univ-KO001208

0 references

MSBNK-Keio_Univ-KO001209

0 references

MSBNK-Keio_Univ-KO001210

0 references

MSBNK-Keio_Univ-KO003202

0 references

MSBNK-Keio_Univ-KO003203

0 references

MSBNK-Keio_Univ-KO003204

0 references

MSBNK-Keio_Univ-KO003205

0 references

MSBNK-Keio_Univ-KO003206

0 references

SPLASH

0 references

splash10-00lr-0900000000-cc0c89a2abe2633a9003

0 references

splash10-004i-1930000000-26ddd3b2caf5e0b3a5b6

0 references

splash10-0a4i-0900000000-458b38914f7ddf5b481a

0 references

splash10-0a4i-4900000000-69f7e3dfc4f01efba464

0 references

splash10-056r-9300000000-7e44794a04e8de3d1daf

0 references

splash10-004i-9000000000-d454501befd7405d3a7c

0 references

splash10-004i-9000000000-e95beea8400e01e0632a

0 references

splash10-0a4i-0900000000-1d1a4eca72f57a9b927c

0 references

splash10-02ai-5900000000-bac26e180028ec3a808f

0 references

splash10-016r-7900000000-8ee8a1b5f235ed461d7a

0 references

splash10-014i-4900000000-3e3f0478af07473aa142

0 references

splash10-000i-9000000000-1af02646eabe1e90e482

0 references

splash10-00fr-9740000000-96b8f06c6fb07ce93a3c

0 references

splash10-067i-1900000000-f2f0a3ed466e76d4ced9

0 references

splash10-014l-6900000000-8f82445aa403d7f60efb

0 references

splash10-0a4i-0900000000-0e8f0ffd6c403143a007

0 references

splash10-004i-0930000000-32debced08db3d4bf8cb

0 references

splash10-0a4i-2900000000-be863c7acf7363ffeedc

0 references

splash10-004i-2950000000-640d53401ab5b06bad68

0 references

NMRShiftDB structure ID

20181307

1 reference

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

0 references

2 references

DSSTOX compound identifier

0 references

0 references

212-232-1

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.011.120

27 December 2018

ECHA Substance Infocard ID

Indol-3-ylacetonitrile (English)

quotation

CAS no.: 771-51-7 (English)

100.011.120

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.011.120

27 December 2018

Human Metabolome Database ID

Indol-3-ylacetonitrile (English)

quotation

CAS no.: 771-51-7 (English)

1 reference

HMDB0006524

2 references

based on heuristic

inferred from InChIKey

3 references

indole-3-acetonitrile (English)

5 October 2016

based on heuristic

inferred from InChIKey

UNII

AG97OFW8JW

1 reference