KEGG   COMPOUND: C17079
Entry
C17079                      Compound                               
Name
3-Bromo-tyrosine;
3-Bromotyrosine
Formula
C9H10BrNO3
Exact mass
258.9844
Mol weight
260.0846
Structure
Other DBs
CAS: 54788-30-6
PubChem: 96023556
ChEBI: 80911
NIKKAJI: J678.997H
LinkDB
KCF data

ATOM        14
            1   C8y C    23.4500  -17.4300
            2   C8x C    23.4500  -18.8300
            3   C8x C    24.6400  -19.5300
            4   C8y C    25.8300  -18.8300
            5   C8y C    25.8300  -17.4300
            6   C8x C    24.6400  -16.7300
            7   C1b C    22.1900  -16.7300
            8   O1a O    27.0900  -19.6000
            9   C1c C    21.0000  -17.4300
            10  C6a C    19.8100  -16.7300
            11  O6a O    18.6200  -17.4300
            12  O6a O    19.8100  -15.3300
            13  N1a N    21.0000  -18.8300
            14  X   Br   27.0453  -16.7349
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     1   7 1
            8     4   8 1
            9     7   9 1
            10    9  10 1
            11   10  11 1
            12   10  12 2
            13    9  13 1
            14    5  14 1

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