CHEBI:17566 - indole-3-acetonitrile

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ChEBI Name indole-3-acetonitrile
ChEBI ID CHEBI:17566
Definition A nitrile that is acetonitrile where one of the methyl hydrogens is substituted by a 1H-indol-3-yl group.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:24804, CHEBI:11841, CHEBI:1559
Supplier Information
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Formulae C10H8N2
C10H8N2
Net Charge 0
Average Mass 156.184
Monoisotopic Mass 156.069
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
SMILES C1=2C(=CNC1=CC=CC2)CC#N
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
plant hormone
A plant growth regulator that modulates the formation of stems, leaves and flowers, as well as the development and ripening of fruit. The term includes endogenous and non-endogenous compounds (e.g. active compounds produced by bacteria on the leaf surface) as well as semi-synthetic and fully synthetic compounds.
auxin
Any of a group of compounds, both naturally occurring and synthetic, that induce cell elongation in plant stems (from Greek alphaupsilonxialphanuomega, "to grow").
View more via ChEBI Ontology
ChEBI Ontology
Outgoing indole-3-acetonitrile (CHEBI:17566) has functional parent acetonitrile (CHEBI:38472)
indole-3-acetonitrile (CHEBI:17566) has role auxin (CHEBI:22676)
indole-3-acetonitrile (CHEBI:17566) has role human xenobiotic metabolite (CHEBI:76967)
indole-3-acetonitrile (CHEBI:17566) has role plant hormone (CHEBI:37848)
indole-3-acetonitrile (CHEBI:17566) has role plant metabolite (CHEBI:76924)
indole-3-acetonitrile (CHEBI:17566) is a indoles (CHEBI:24828)
indole-3-acetonitrile (CHEBI:17566) is a nitrile (CHEBI:18379)
Incoming γGluCys(IAN) (CHEBI:65022) has functional parent indole-3-acetonitrile (CHEBI:17566)
γGluCys(IAN)Glu (CHEBI:64978) has functional parent indole-3-acetonitrile (CHEBI:17566)
γGluCys(IAN)Gly (CHEBI:64980) has functional parent indole-3-acetonitrile (CHEBI:17566)
L-Cys(IAN) (CHEBI:64988) has functional parent indole-3-acetonitrile (CHEBI:17566)
Cys(IAN)-Gly (CHEBI:137676) has functional parent indole-3-acetonitrile (CHEBI:17566)
IUPAC Name
1H-indol-3-ylacetonitrile
Synonyms Sources
(indol-3-yl)acetonitrile UniProt
(Indol-3-yl)acetonitrile KEGG COMPOUND
(Indole-3-yl)acetonitrile KEGG COMPOUND
3-(cyanomethyl)indole NIST Chemistry WebBook
3-Indoleacetonitrile KEGG COMPOUND
3-indolylacetonitrile ChemIDplus
Indol-3-ylacetonitrile KEGG COMPOUND
Indole-3-acetonitrile KEGG COMPOUND
Database Links Databases
C00000107 KNApSAcK
C02938 KEGG COMPOUND
HMDB0006524 HMDB
INDOLEYL-CPD MetaCyc
View more database links
Registry Numbers Types Sources
125488 Beilstein Registry Number Beilstein
125488 Reaxys Registry Number Reaxys
771-51-7 CAS Registry Number KEGG COMPOUND
771-51-7 CAS Registry Number NIST Chemistry WebBook
771-51-7 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
11867093 PubMed citation Europe PMC
20649646 PubMed citation Europe PMC
21619597 PubMed citation Europe PMC
2342128 PubMed citation Europe PMC
24837382 PubMed citation Europe PMC
Last Modified
14 November 2017