KEGG   COMPOUND: C05787Help
Entry
C05787                      Compound                               

Name
Bilirubin beta-diglucuronide;
Bilirubin-bisglucuronoside
Formula
C45H52N4O18
Exact mass
936.3277
Mol weight
936.9104
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Porphyrin and chlorophyll metabolism
Enzyme
1.-.-.-         2.4.1.17        2.4.1.95        3.2.1.31
Other DBs
CAS: 
17459-92-6
PubChem: 
ChEBI: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        67
            1   C1y C    22.3715  -12.4128
            2   C1y C    21.6880  -13.6175
            3   C1y C    22.3874  -14.8160
            4   C1y C    23.7716  -14.8062
            5   C1y C    24.4624  -13.6016
            6   O2x O    23.7620  -12.4066
            7   O7a O    25.8502  -13.5948
            8   O1a O    21.7054  -16.0288
            9   C6a C    21.6751  -11.2153
            10  O1a O    20.3002  -13.6259
            11  O1a O    24.4766  -16.0098
            12  O6a O    22.3595  -10.0110
            13  O6a O    20.2874  -11.2224
            14  C1y C    35.4903  -14.5724
            15  C1y C    36.1853  -13.3701
            16  C1y C    35.4830  -12.1621
            17  C1y C    34.0988  -12.1668
            18  C1y C    33.4109  -13.3760
            19  O2x O    34.0998  -14.5736
            20  O7a O    32.0230  -13.3777
            21  O1a O    36.1767  -10.9590
            22  C6a C    36.1892  -15.7723
            23  O1a O    37.5731  -13.3667
            24  O1a O    33.4053  -10.9676
            25  O6a O    35.4935  -16.9742
            26  O6a O    37.5771  -15.7704
            27  C2y C    34.8544  -21.0211
            28  C2y C    35.9241  -21.8281
            29  N1x N    35.3025  -19.7527
            30  C2y C    37.0354  -21.0583
            31  C5x C    36.6413  -19.7823
            32  C2y C    23.1597  -21.0686
            33  C2y C    22.0704  -21.8583
            34  N1x N    22.7445  -19.7884
            35  C2y C    20.9015  -21.1315
            36  C1a C    22.0542  -23.2442
            37  C5x C    21.3341  -19.8560
            38  O5x O    20.7638  -18.6015
            39  C8y C    30.3383  -21.0510
            40  C8y C    30.7453  -19.7734
            41  C1b C    28.9722  -21.7370
            42  N4x N    31.4199  -21.8303
            43  C8y C    32.0872  -19.7734
            44  C1b C    30.3908  -18.4669
            45  C8y C    27.6362  -21.0510
            46  C8y C    32.5013  -21.0510
            47  C1a C    32.7498  -18.6034
            48  C1b C    30.7396  -17.1602
            49  C8y C    27.2151  -19.7850
            50  N4x N    26.5466  -21.8490
            51  C2b C    33.6540  -21.7195
            52  C7a C    30.3791  -15.8418
            53  C8y C    25.8852  -19.7850
            54  C1b C    27.5593  -18.4844
            55  C8y C    25.4593  -21.0510
            56  O6a O    29.5987  -15.8534
            57  C1a C    25.2050  -18.6150
            58  C1b C    27.2034  -17.1778
            59  C2b C    24.3067  -21.7370
            60  C7a C    27.5407  -15.8708
            61  O6a O    28.4099  -15.8534
            62  C2b C    35.8937  -23.2155
            63  C2a C    37.0792  -23.9391
            64  C2b C    19.5786  -21.5528
            65  C2a C    19.2856  -22.9079
            66  C1a C    38.3466  -21.5141
            67  O5x O    37.4826  -18.6768
BOND        72
            1    16  17 1
            2    17  18 1
            3    18  19 1
            4    32  33 1
            5    32  34 1
            6    33  35 2
            7    33  36 1
            8    34  37 1
            9    37  38 2
            10   35  37 1
            11   19  14 1
            12    3   4 1
            13   18  20 1 #Up
            14    2  10 1 #Down
            15   16  21 1 #Up
            16    4   5 1
            17   14  22 1 #Up
            18    4  11 1 #Down
            19   15  23 1 #Down
            20    5   6 1
            21   17  24 1 #Down
            22    9  12 1
            23   22  25 1
            24    6   1 1
            25   22  26 2
            26    9  13 2
            27    5   7 1 #Up
            28    1   2 1
            29    3   8 1 #Up
            30   27  28 1
            31   27  29 1
            32   28  30 2
            33   39  40 2
            34   39  41 1
            35   39  42 1
            36   40  43 1
            37   40  44 1
            38   41  45 1
            39   42  46 1
            40   43  47 1
            41   44  48 1
            42   45  49 2
            43   45  50 1
            44   46  51 1
            45   48  52 1
            46   49  53 1
            47   49  54 1
            48   50  55 1
            49   52  20 1
            50   52  56 2
            51   53  57 1
            52   54  58 1
            53   55  59 1
            54   58  60 1
            55   59  32 2
            56   60   7 1
            57   60  61 2
            58   43  46 2
            59   53  55 2
            60   51  27 2
            61   29  31 1
            62   28  62 1
            63   30  31 1
            64   62  63 2
            65    2   3 1
            66   35  64 1
            67    1   9 1 #Up
            68   64  65 2
            69   14  15 1
            70   30  66 1
            71   15  16 1
            72   31  67 2

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