KEGG   COMPOUND: C21889
Entry
C21889                      Compound                               
Name
(2S)-3-(4-Hydroxyphenyl)-2-isocyanopropanoate;
L-Tyrosine isonitrile
Formula
C10H9NO3
Exact mass
191.0582
Mol weight
191.18
Structure
Reaction
R12076 R12081 R12150
Pathway
map00997  Biosynthesis of various other secondary metabolites
Enzyme
1.14.20.9       1.14.20.10      4.1.99.24
Other DBs
PDB-CCD: I3J[PDBj]
LinkDB
KCF data

ATOM        14
            1   C8x C    13.7900  -17.5700
            2   C8y C    13.7900  -18.9700
            3   C8x C    15.0024  -19.6700
            4   C8x C    16.2149  -18.9700
            5   C8y C    16.2149  -17.5700
            6   C8x C    15.0024  -16.8700
            7   O1a O    12.5776  -19.6700
            8   C1c C    18.6397  -17.5700
            9   C1b C    17.4273  -16.8700
            10  O6a O    21.0646  -17.5700
            11  C6a C    19.8522  -16.8700
            12  O6a O    19.8522  -15.4700
            13  N3a N    18.6397  -18.9700 #+
            14  C3a C    18.6397  -20.7900 #-
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     2   7 1
            8     8   9 1
            9     5   9 1
            10   10  11 1
            11    8  11 1
            12   11  12 2
            13    8  13 1 #Up
            14   13  14 3

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