KEGG   COMPOUND: C11375
Entry
C11375                      Compound                               
Name
SN38 glucuronide carboxylate form
Formula
C28H29N2O12
Exact mass
585.172
Mol weight
585.5361
Structure
Other DBs
PubChem: 13549
ChEBI: 8991
NIKKAJI: J2.774.245I
LinkDB
KCF data

ATOM        42
            1   O2a O    21.8498  -14.5645
            2   C1y C    20.5476  -15.1951
            3   O2x O    19.3623  -14.5119
            4   C1y C    20.5476  -16.5732
            5   C1y C    18.1653  -15.1951
            6   C1y C    19.3623  -17.2622
            7   O1a O    21.7389  -17.2622
            8   C1y C    18.1653  -16.5732
            9   C6a C    16.9742  -14.5119
            10  O1a O    19.3682  -18.6402
            11  O1a O    16.9742  -17.2679
            12  O6a O    16.9099  -13.1338
            13  O6a O    15.7829  -15.1951
            14  C8y C    31.3445  -15.8925
            15  C8x C    29.8609  -18.2985
            16  C8y C    31.9922  -17.2308
            17  O5x O    32.2655  -14.8477
            18  C8y C    31.1823  -18.2911
            19  C1b C    33.3824  -17.2221
            20  C1d C    31.7533  -19.7065
            21  C6a C    33.1361  -19.7415
            22  C1b C    30.3053  -19.5455
            23  O1a O    31.8015  -21.1668
            24  O6a O    33.7523  -21.1879
            25  C1a C    29.4412  -20.7283
            26  C8y C    29.2129  -17.0231
            27  N4y N    30.0225  -15.8875
            28  C1x C    29.1950  -14.7649
            29  C8y C    27.8800  -16.6025
            30  C8y C    27.8706  -15.2107
            31  C8y C    26.6643  -14.5300
            32  N5x N    26.6831  -17.3066
            33  C8y C    25.4768  -16.6258
            34  C8y C    25.4605  -15.2383
            35  C8x C    24.2581  -14.5525
            36  C8y C    23.0646  -15.2542
            37  C8x C    23.0738  -16.6416
            38  C8x C    24.2764  -17.3274
            39  C1b C    26.6518  -13.1330
            40  C1a C    25.4356  -12.4455
            41  O6a O    34.0271  -18.6015 #-
            42  O1a O    34.1334  -16.1140
BOND        46
            1     5   9 1 #Up
            2     6  10 1 #Up
            3     8  11 1 #Down
            4     9  12 1
            5     9  13 2
            6     6   8 1
            7     2   1 1 #Up
            8     2   3 1
            9     2   4 1
            10    3   5 1
            11    4   6 1
            12    4   7 1 #Down
            13   26  27 1
            14   27  28 1
            15   28  30 1
            16   29  26 1
            17   14  16 1
            18   14  17 2
            19   15  18 1
            20   16  19 1
            21   29  30 2
            22   30  31 1
            23   31  34 2
            24   33  32 2
            25   32  29 1
            26   18  20 1
            27   20  21 1
            28   20  22 1 #Down
            29   20  23 1 #Up
            30   21  24 2
            31   33  34 1
            32   34  35 1
            33   35  36 2
            34   36  37 1
            35   37  38 2
            36   38  33 1
            37   22  25 1
            38   16  18 2
            39   41  21 1
            40   27  14 1
            41   36   1 1
            42   31  39 1
            43   26  15 2
            44   39  40 1
            45    5   8 1
            46   19  42 1

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