KEGG   COMPOUND: C21893
Entry
C21893                      Compound                               

Name
3-[(Z)-2-Isocyanoethenyl]-1H-indole
Formula
C11H8N2
Exact mass
168.0687
Mol weight
168.1946
Structure
Reaction
Enzyme
1.14.20.11      2.5.1.146
Other DBs
PDB-CCD: 8XL[PDBj]
KCF data

ATOM        13
            1   C8x C    15.4550  -16.0825
            2   C8x C    15.4550  -17.4111
            3   C8x C    16.6438  -18.1103
            4   C8y C    17.8325  -17.4111
            5   C8y C    17.8325  -16.0825
            6   C8x C    16.6438  -15.3832
            7   N4x N    19.1612  -17.8307
            8   C8x C    19.9303  -16.7818
            9   C8y C    19.1612  -15.6628
            10  C2b C    21.0493  -14.4043
            11  C2b C    19.7206  -14.4041
            12  N3a N    21.8886  -15.4531 #+
            13  C3a C    21.8886  -17.3412 #-
BOND        14
            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   10  11 2
            12    9  11 1
            13   12  13 3
            14   10  12 1

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