KEGG   COMPOUND: C16643Help
Entry
C16643                      Compound                               

Name
Morphine-3-glucuronide
Formula
C23H27NO9
Exact mass
461.1686
Mol weight
461.4618
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Drug metabolism - cytochrome P450
Bile secretion
Enzyme
Other DBs
CAS: 
20290-09-9
PubChem: 
ChEBI: 
NIKKAJI: 
KCF data Show

ATOM        33
            1   C1y C    17.5129  -21.5219
            2   O2x O    18.7118  -20.8268
            3   C1y C    17.5129  -22.8992
            4   C6a C    16.4672  -20.6100
            5   C1y C    19.9233  -21.5154
            6   C1y C    18.7118  -23.6005
            7   O1a O    16.3205  -23.6005
            8   O6a O    16.7349  -19.2454
            9   O6a O    15.1537  -21.0627
            10  C1y C    19.9233  -22.8992
            11  O1a O    18.7118  -24.9844
            12  O1a O    21.1285  -23.6005
            13  C1z C    25.5248  -24.0073
            14  C8y C    25.5248  -22.6968
            15  C1y C    26.6973  -24.6969
            16  C1y C    24.4212  -24.6280
            17  C1x C    26.6973  -23.3865
            18  C8y C    24.4212  -22.0760
            19  C8y C    26.6973  -22.0760
            20  C1y C    27.8009  -24.0073
            21  C2x C    26.6973  -25.9384
            22  O2x O    23.1108  -23.3174
            23  C1y C    24.4212  -25.9384
            24  C1x C    28.9043  -23.3865
            25  C8y C    24.4212  -20.7655
            26  C1x C    27.8009  -22.7657
            27  C8x C    26.6973  -20.7655
            28  N1y N    28.9043  -24.6969
            29  C2x C    25.5248  -26.6282
            30  O1a O    23.3177  -26.6282
            31  C8x C    25.5938  -20.1449
            32  O2a O    23.3177  -20.1449
            33  C1a C    30.2890  -24.6969
BOND        38
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     3   6 1
            6     3   7 1 #Down
            7     4   8 1
            8     4   9 2
            9     5  10 1
            10    6  11 1 #Up
            11   10  12 1 #Down
            12    6  10 1
            13   13  14 1
            14   13  15 1
            15   13  16 1
            16   13  17 1 #Up
            17   14  18 2
            18   14  19 1
            19   15  20 1
            20   15  21 1
            21   16  22 1 #Down
            22   16  23 1
            23   17  24 1
            24   18  25 1
            25   19  26 1
            26   19  27 2
            27   20  28 1 #Up
            28   21  29 2
            29   23  30 1 #Down
            30   25  31 2
            31   25  32 1
            32   18  22 1
            33   20  26 1
            34   23  29 1
            35   24  28 1
            36   27  31 1
            37   28  33 1
            38    5  32 1 #Up

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