KEGG   COMPOUND: C05504Help
Entry
C05504                      Compound                               

Name
16-Glucuronide-estriol;
16alpha,17beta-Estriol 16-(beta-D-glucuronide)
Formula
C24H32O9
Exact mass
464.2046
Mol weight
464.5055
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Steroid hormone biosynthesis
Enzyme
Brite
Lipids [BR:br08002]
 ST  Sterol Lipids
  ST02 Steroids
   ST0201 C18 steroids (estrogens) and derivatives
    C05504  16alpha,17beta-Estriol 16-(beta-D-glucuronide)
  ST05 Steroid conjugates
   ST0501 Glucuronides
    C05504  16alpha,17beta-Estriol 16-(beta-D-glucuronide)
BRITE hierarchy
Other DBs
CAS: 
1852-50-2
PubChem: 
ChEBI: 
LIPIDMAPS: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        33
            1   C1y C    25.3048  -20.9322
            2   C1y C    24.0990  -21.6372
            3   C1z C    25.3048  -19.5341
            4   C1x C    27.7165  -20.9381
            5   C1y C    22.8933  -20.9439
            6   C1x C    24.1049  -23.0293
            7   C1y C    26.5223  -18.8351
            8   C1x C    24.0932  -18.8467
            9   C1a C    25.2001  -18.1186
            10  C1y C    27.7224  -19.5400
            11  C8y C    21.6991  -21.6429
            12  C1x C    22.9049  -19.4817
            13  C1x C    22.8990  -23.7167
            14  O1a O    26.5223  -17.4779
            15  O2a O    28.9107  -18.8700
            16  C8y C    21.6991  -23.0236
            17  C8x C    20.4990  -20.9731
            18  C1y C    30.0874  -19.5400
            19  C8x C    20.4990  -23.7226
            20  C8x C    19.3224  -21.6429
            21  O2x O    31.2700  -18.8759
            22  C1y C    30.0815  -20.8972
            23  C8y C    19.3224  -23.0236
            24  C1y C    32.4409  -19.5517
            25  C1y C    31.2524  -21.5846
            26  O1a O    28.8990  -21.5730
            27  O1a O    18.1339  -23.6993
            28  C1y C    32.4292  -20.9089
            29  C6a C    33.6175  -18.8876
            30  O1a O    31.2467  -22.9361
            31  O1a O    33.6001  -21.5963
            32  O6a O    34.7826  -19.5633
            33  O6a O    33.6058  -17.5302
BOND        37
            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 #Up
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13    7  14 1 #Up
            14   10  15 1 #Down
            15   11  16 2
            16   11  17 1
            17   18  15 1 #Down
            18   16  19 1
            19   17  20 2
            20   18  21 1
            21   18  22 1
            22   19  23 2
            23   21  24 1
            24   22  25 1
            25   22  26 1 #Up
            26   23  27 1
            27   24  28 1
            28   24  29 1 #Down
            29   25  30 1 #Down
            30   28  31 1 #Up
            31   29  32 1
            32   29  33 2
            33    7  10 1
            34    8  12 1
            35   13  16 1
            36   20  23 1
            37   25  28 1

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