KEGG   COMPOUND: C02938
Entry
C02938                      Compound                               
Name
3-Indoleacetonitrile;
Indol-3-ylacetonitrile;
Indole-3-acetonitrile;
(Indol-3-yl)acetonitrile
Formula
C10H8N2
Exact mass
156.0687
Mol weight
156.18
Structure
Reaction
R03093 R04020 R04093 R04094
Pathway
map00380  Tryptophan metabolism
map01100  Metabolic pathways
Enzyme
3.2.1.147       3.5.5.1         4.2.1.84        4.8.1.3
Other DBs
CAS: 771-51-7
PubChem: 5857
ChEBI: 17566
KNApSAcK: C00000107
PDB-CCD: 3BO[PDBj]
NIKKAJI: J1.733G
LinkDB
KCF data

ATOM        12
            1   C8x C    16.0300  -18.0600
            2   C8x C    16.0300  -19.4600
            3   C8x C    17.2424  -20.1600
            4   C8y C    18.4549  -19.4600
            5   C8y C    18.4549  -18.0600
            6   C8x C    17.2424  -17.3600
            7   N4x N    19.7864  -19.8926
            8   C8x C    20.6093  -18.7600
            9   C8y C    19.7864  -17.6274
            10  C1b C    20.2175  -16.3006
            11  C3b C    21.5969  -16.0074
            12  N3a N    22.9492  -15.6451
BOND        13
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 2
            10    5   9 1
            11    9  10 1
            12   10  11 1
            13   11  12 3

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