KEGG   COMPOUND: C04264
Entry
C04264                      Compound                               
Name
3-[(4-Bromophenyl)sulfanyl]-2-oxopropanoate;
S-(4-Bromophenyl)-mercaptopyruvate
Formula
C9H7BrO3S
Exact mass
273.9299
Mol weight
275.1191
Structure
Reaction
Enzyme
Other DBs
PubChem: 6929
ChEBI: 17468 8934
3DMET: B00696
NIKKAJI: J367.684F
KCF data

ATOM        14
            1   C5a C    28.8856  -15.2947
            2   C6a C    30.0825  -15.9886
            3   C1b C    27.6825  -15.9886
            4   O5a O    28.8856  -13.9131
            5   O6a O    30.0762  -17.5153
            6   O6a O    31.2793  -15.2947
            7   S2a S    26.4856  -15.3011
            8   C8y C    25.2952  -16.0076
            9   C8x C    24.0921  -15.3201
            10  C8x C    25.2443  -17.4018
            11  C8x C    22.8826  -16.0331
            12  C8x C    24.1111  -18.1148
            13  C8y C    22.8826  -17.4272
            14  X   Br   21.6857  -18.1275
BOND        14
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     7   8 1
            8     8   9 2
            9     8  10 1
            10    9  11 1
            11   10  12 2
            12   11  13 2
            13   13  14 1
            14   12  13 1

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