KEGG   COMPOUND: C14869
Entry
C14869                      Compound                               
Name
Trichloroethanol glucuronide;
Urochloralic acid;
2,2,2-Trichloroethyl beta-D-glucopyranosiduronic acid
Formula
C8H11Cl3O7
Exact mass
323.957
Mol weight
325.5277
Structure
Reaction
R07106
Pathway
map00980  Metabolism of xenobiotics by cytochrome P450
Enzyme
2.4.1.17
Other DBs
CAS: 97-25-6
PubChem: 17395867
ChEBI: 35021
NIKKAJI: J4.728G
LinkDB
KCF data

ATOM        18
            1   C1y C    22.8200  -15.4700
            2   C1y C    22.8200  -16.8700
            3   O2x O    21.6300  -14.7700
            4   C6a C    24.0100  -14.8400
            5   C1y C    21.6300  -17.5700
            6   O1a O    24.0100  -17.5700
            7   C1y C    20.3700  -15.4700
            8   O6a O    25.0600  -15.7500
            9   O6a O    24.0100  -13.4400
            10  C1y C    20.3700  -16.8700
            11  O1a O    21.6300  -18.9700
            12  O2a O    19.1800  -14.7700
            13  O1a O    19.1800  -17.5700
            14  C1d C    16.7300  -14.7700
            15  C1b C    17.9900  -15.4700
            16  X   Cl   15.5400  -15.4700
            17  X   Cl   16.7300  -13.3700
            18  X   Cl   16.7300  -16.1700
BOND        18
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 1
            5     2   6 1 #Up
            6     3   7 1
            7     4   8 1
            8     4   9 2
            9     5  10 1
            10    5  11 1 #Down
            11    7  12 1 #Down
            12   10  13 1 #Up
            13    7  10 1
            14   14  15 1
            15   14  16 1
            16   14  17 1
            17   14  18 1
            18   15  12 1

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