KEGG   COMPOUND: C03077
Entry
C03077                      Compound                               
Name
4-Chlorophenylacetate;
4-Chlorophenylacetic acid
Formula
C8H7ClO2
Exact mass
170.0135
Mol weight
170.593
Structure
Reaction
R03306 R04140 R05473 R05474
Pathway
map00350  Tyrosine metabolism
map00621  Dioxin degradation
map01120  Microbial metabolism in diverse environments
Enzyme
1.14.12.9       3.5.5.5
Other DBs
CAS: 1878-66-6
PubChem: 5975
ChEBI: 16237 30749
3DMET: B00536
NIKKAJI: J7.798D
LinkDB
KCF data

ATOM        11
            1   C8y C    28.8111  -16.2269
            2   C8x C    28.8111  -17.6246
            3   C8x C    27.6005  -15.5251
            4   C1b C    30.0217  -15.5309
            5   C8x C    27.6005  -18.3264
            6   C8x C    26.3841  -16.2269
            7   C6a C    31.2323  -16.2269
            8   C8y C    26.3841  -17.6246
            9   O6a O    32.4487  -15.5309
            10  O6a O    31.2323  -17.6305
            11  X   Cl   25.1735  -18.3264
BOND        11
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     3   6 1
            6     4   7 1
            7     5   8 1
            8     7   9 1
            9     7  10 2
            10    8  11 1
            11    6   8 2

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