KEGG   COMPOUND: C04806
Entry
C04806                      Compound                               
Name
17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside
Formula
C32H45NO13
Exact mass
651.2891
Mol weight
651.6986
Structure
Reaction
Enzyme
Brite
Lipids [BR:br08002]
 ST  Sterol lipids
  ST02 Steroids
   ST0201 C18 steroids (estrogens) and derivatives
    C04806  17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside
  ST05 Steroid conjugates
   ST0501 Glucuronides
    C04806  17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside
Other DBs
PubChem: 7368
ChEBI: 16129 182943
LIPIDMAPS: LMST05010027
3DMET: B04961
NIKKAJI: J1.128.988F
KCF data

ATOM        46
            1   C1y C    32.4090  -18.6644
            2   C1y C    31.2136  -19.3581
            3   C1z C    32.4151  -17.2832
            4   C1x C    34.7996  -18.6705
            5   C1y C    30.0244  -18.6768
            6   C1x C    31.2260  -20.7331
            7   C1y C    33.6104  -16.5895
            8   C1x C    31.2073  -16.6019
            9   C1a C    32.4083  -15.7347
            10  C1x C    34.8059  -17.2895
            11  C8y C    28.8476  -19.3642
            12  C1x C    30.0492  -17.2399
            13  C1x C    30.0368  -21.4143
            14  O2a O    33.5486  -14.9234
            15  C8y C    28.8476  -20.7270
            16  C8x C    27.6646  -18.6953
            17  C1y C    34.7811  -14.5705
            18  C8x C    27.6646  -21.4206
            19  C8x C    26.4941  -19.3642
            20  C1y C    34.7811  -13.2078
            21  O2x O    35.9641  -15.2455
            22  C8y C    26.4941  -20.7270
            23  C1y C    35.9641  -12.5204
            24  N1b N    33.6228  -12.3036
            25  C1y C    37.1285  -14.5705
            26  O2a O    25.3233  -21.3958
            27  C1y C    37.1285  -13.2078
            28  O1a O    35.9702  -11.1702
            29  C5a C    32.0434  -12.9229
            30  C1b C    38.2991  -15.2455
            31  C1y C    24.1591  -20.7207
            32  O1a O    38.2991  -12.5389
            33  C1a C    30.8792  -12.2479
            34  O5a O    32.0558  -14.2298
            35  O1a O    38.2991  -16.5895
            36  O2x O    22.9761  -21.3958
            37  C1y C    24.1591  -19.3581
            38  C1y C    21.8117  -20.7207
            39  C1y C    22.9761  -18.6705
            40  O1a O    25.3233  -18.4538
            41  C1y C    21.8117  -19.3581
            42  C6a C    20.6473  -21.3958
            43  O1a O    22.9761  -17.3265
            44  O1a O    20.6412  -18.6892
            45  O6a O    20.6473  -22.7397
            46  O6a O    19.4767  -20.7207
BOND        51
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13    7  14 1 #Down
            14   11  15 2
            15   11  16 1
            16   17  14 1 #Up
            17   15  18 1
            18   16  19 2
            19   17  20 1
            20   17  21 1
            21   18  22 2
            22   20  23 1
            23   20  24 1 #Down
            24   21  25 1
            25   22  26 1
            26   23  27 1
            27   23  28 1 #Up
            28   24  29 1
            29   25  30 1 #Up
            30   31  26 1 #Down
            31   27  32 1 #Down
            32   29  33 1
            33   29  34 2
            34   30  35 1
            35   31  36 1
            36   31  37 1
            37   36  38 1
            38   37  39 1
            39   37  40 1 #Up
            40   38  41 1
            41   38  42 1 #Down
            42   39  43 1 #Down
            43   41  44 1 #Up
            44   42  45 1
            45   42  46 2
            46    7  10 1
            47    8  12 1
            48   13  15 1
            49   19  22 1
            50   25  27 1
            51   39  41 1

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