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Substance
ID:1820589
Structure
Similarity
Functional Group
Text
ID:74538
indole-3-acetonitrile
Chemical Entities of Biological Interest
ID: CHEBI:17566
Names and Identifiers
IUPAC Traditional name
indole-3-acetonitrile
IUPAC name
2-(1H-indol-3-yl)acetonitrile
Synonyms
indole-3-acetonitrile
(Indol-3-yl)acetonitrile
(Indole-3-yl)acetonitrile
(indol-3-yl)acetonitrile
3-(cyanomethyl)indole
3-Indoleacetonitrile
3-indolylacetonitrile
Indol-3-ylacetonitrile
Indole-3-acetonitrile
Registration numbers
CAS Number
771-51-7
Beilstein Number
125488
PubChem CID
351795
KEGG ID
C02938
KNApSAcK Database
C00000107
MetaCyc Database
INDOLEYL-CPD
PubMed Citation Links
11867093
2342128
24837382
21619597
20649646
Reaxys Registry
125488
BKMS React Database
166283
162437
144454
36138
3396
106303
BRENDA Database
3.5.5.1
3.5.5.5
4.2.1.84
1.14.14.44
3.5.1.4
4.8.1.3
4.8.1.2
4.8.1.4
3.5.5.7
BRENDA Ligand Database
3396
144454
162437
36138
166283
106303
CHEMBL
CHEMBL1812654
CompTox Database
DTXSID5061118
MetaboLights Database
MTBLS606
MTBLS662
MTBLS926
MTBLS1693
MTBLS2878
MTBLS1071
MTBLS129
MTBLS1642
MTBLS1622
MTBLS338
MTBLS2980
MTBLS375
MTBLS3935
MTBLS4099
MTBLS40
MTBLS379
MTBLS3854
MTBLS1906
Protein Data Bank
6elg
SABIO-RK Database
3820
SureChEMBL Database
SCHEMBL149254
UniProt Database
P32962
P46010
P46011
Q5A0E5
P42760
Q9FR37
O49342
Q500U1
P32961
IntEnz Database
EC 4.99.1.6
EC 3.5.5.1
Rhea Database
RHEA:23156
RHEA:45776
HMDB Database
HMDB0006524
Golm Database
342828fe-8a54-481c-b246-1ed0b928f433
8b44b97c-c598-4a44-b7b6-22c146fd3466
f72739b4-b337-4b59-8b0e-7c2fa8ac59f8
20d7dbbf-56a2-4347-a9c6-874903b15d3f
da9699ef-2f43-48ef-a286-a3a2c5c93619
a791c903-018f-4de7-b044-a8a9b7bce46d
NMRShiftDB Database
20181307
EnzymePortal Database
O49342
BindingDB Database
50350241
CHEBI ID
CHEBI:17566
CHEBI:24804
CHEBI:11841
CHEBI:1559
PubChem SID
8144099
Properties
No Data Available
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Molecule Details
A nitrile that is acetonitrile where one of the methyl hydrogens is substituted by a 1H-indol-3-yl group.
Molecular Spectra
No Data Available
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References
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