Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:142138 - 4-hydroxy-indole-3-carbonyl nitrile
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
4-hydroxy-indole-3-carbonyl nitrile
ChEBI ID
CHEBI:142138
Definition
A member of the class of hydroxyindoles that is 1
H
-indol-4-ol which is substituted by a nitriloacetyl group at the 3 position.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Harold Drabkin
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C10H6N2O2
Net Charge
0
Average Mass
186.167
Monoisotopic Mass
186.04293
InChI
InChI=1S/C10H6N2O2/c11-4-9(14)6-5-12-7-2-1-3-8(13)10(6)7/h1-3,5,12-13H
InChIKey
KVUDODPZCDAFRS-UHFFFAOYSA-N
SMILES
C=1C2=C(C(=CC1)O)C(=CN2)C(C#N)=O
Metabolite of Species
Details
Arabidopsis thaliana
(NCBI:txid3702)
See:
PubMed
Roles Classification
Biological Role
(s):
Arabidopsis thaliana metabolite
Any plant metabolite that is produced by
Arabidopsis thaliana
.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
4-hydroxy-indole-3-carbonyl nitrile (
CHEBI:142138
)
has role
Arabidopsis thaliana
metabolite (
CHEBI:140602
)
4-hydroxy-indole-3-carbonyl nitrile (
CHEBI:142138
)
is a
α-ketonitrile (
CHEBI:51852
)
4-hydroxy-indole-3-carbonyl nitrile (
CHEBI:142138
)
is a
hydroxyindoles (
CHEBI:84729
)
IUPAC Name
4-hydroxy-1
H
-indole-3-carbonyl cyanide
Synonyms
Sources
2-(4-hydroxy-1
H
-indol-3-yl)-2-keto-acetonitrile
ChEBI
2-(4-hydroxy-1
H
-indol-3-yl)-2-oxoacetonitrile
ChEBI
4-hydroxy-α-oxo-1
H
-indole-3-acetonitrile
ChEBI
4-hydroxy-indole-3-carbonyl nitrile
UniProt
4-OH-ICN
ChEBI
Citation
Type
Source
26352477
PubMed citation
SUBMITTER
Last Modified
05 October 2018