KEGG   COMPOUND: C14869Help
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
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
map00980  Metabolism of xenobiotics by cytochrome P450
map05204  Chemical carcinogenesis
Enzyme
Other DBs
CAS: 97-25-6
PubChem: 17395867
ChEBI: 35021
NIKKAJI: J4.728G
KCF data Show

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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