KEGG   COMPOUND: C11061Help
Entry
C11061                      Compound                               

Name
all-trans-Retinoyl-beta-glucuronide;
Retinoyl glucuronide
Formula
C26H36O8
Exact mass
476.241
Mol weight
476.5592
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Retinol metabolism
Enzyme
Other DBs
CAS: 
401-10-5
PubChem: 
ChEBI: 
LIPIDMAPS: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        34
            1   C2y C    18.5948  -21.4074
            2   C1z C    18.5948  -22.8281
            3   C2y C    17.3648  -20.7064
            4   C2b C    19.8000  -20.7007
            5   C1x C    17.3648  -23.5408
            6   C1a C    19.2782  -24.0276
            7   C1a C    19.9311  -23.1779
            8   C1x C    16.1525  -21.4074
            9   C1a C    17.3590  -19.3046
            10  C2b C    21.0182  -21.4017
            11  C1x C    16.1525  -22.8281
            12  C2c C    22.2304  -20.6947
            13  C2b C    23.4358  -21.3957
            14  C1a C    22.2876  -19.2988
            15  C2b C    24.6482  -20.6890
            16  C2b C    25.8593  -21.3840
            17  C2c C    27.0715  -20.6832
            18  C2b C    28.2897  -21.3783
            19  C1a C    27.0656  -19.2871
            20  C7a C    29.4950  -20.6773
            21  O7a O    30.7075  -21.3783
            22  O6a O    29.4833  -19.2812
            23  C1y C    31.9151  -20.6813
            24  O2x O    33.1201  -21.3820
            25  C1y C    34.3278  -20.6851
            26  C1y C    34.3302  -19.2871
            27  C1y C    33.1249  -18.5861
            28  C1y C    31.9101  -19.2831
            29  O1a O    33.1272  -17.1882
            30  C6a C    35.5401  -21.3861
            31  O6a O    35.5378  -22.7840
            32  O6a O    36.7549  -20.6891
            33  O1a O    30.7029  -18.5853
            34  O1a O    35.5448  -18.5902
BOND        35
            1    12  13 2
            2    12  14 1
            3    13  15 1
            4    15  16 2
            5    16  17 1
            6    17  18 2
            7    17  19 1
            8    18  20 1
            9    20  21 1
            10   20  22 2
            11    8  11 1
            12   23  21 1 #Up
            13    1   2 1
            14    1   3 2
            15    1   4 1
            16    2   5 1
            17    2   6 1
            18   23  24 1
            19   24  25 1
            20   25  26 1
            21   26  27 1
            22   27  28 1
            23   28  23 1
            24    2   7 1
            25   27  29 1 #Up
            26    3   8 1
            27   25  30 1 #Up
            28    3   9 1
            29   30  31 1
            30    4  10 2
            31   30  32 2
            32    5  11 1
            33   28  33 1 #Down
            34   10  12 1
            35   26  34 1 #Down

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