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 search
Reaction
Pathway
map00860  Porphyrin and chlorophyll metabolism
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Enzyme
1.-.-.-         2.4.1.17        2.4.1.95        3.2.1.31
Other DBs
CAS: 17459-92-6
PubChem: 8082
ChEBI: 18392
ChEMBL: CHEMBL1743142
3DMET: B01895
NIKKAJI: J345.141K
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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