KEGG   COMPOUND: C04300Help
Entry
C04300                      Compound                               

Name
Estradiol-17alpha 3-D-glucuronoside
Formula
C24H32O8
Exact mass
448.2097
Mol weight
448.5061
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Enzyme
Brite
Lipids [BR:br08002]
 ST  Sterol Lipids
  ST02 Steroids
   ST0201 C18 steroids (estrogens) and derivatives
    C04300  Estradiol-17alpha 3-D-glucuronoside
  ST05 Steroid conjugates
   ST0501 Glucuronides
    C04300  Estradiol-17alpha 3-D-glucuronoside
BRITE hierarchy
Other DBs
PubChem: 
ChEBI: 
LIPIDMAPS: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        32
            1   C1y C    32.9060  -16.2029
            2   C1y C    31.7201  -15.5175
            3   C1y C    34.0980  -15.5051
            4   C1x C    32.9184  -17.5742
            5   C8y C    30.5405  -16.2092
            6   C1x C    31.7448  -14.0907
            7   C1z C    34.1042  -14.1340
            8   C1x C    36.4819  -15.5175
            9   C1x C    31.7264  -18.2535
            10  C8y C    30.5405  -17.5679
            11  C8x C    29.3670  -15.5359
            12  C1x C    32.8997  -13.4484
            13  C1y C    35.2962  -13.4423
            14  C1a C    34.1042  -12.7011
            15  C1x C    36.4882  -14.1401
            16  C8x C    29.3670  -18.2535
            17  C8x C    28.1997  -16.2092
            18  O1a O    35.2838  -11.6759
            19  C8y C    28.1997  -17.5679
            20  O2a O    27.0325  -18.2349
            21  C1y C    25.8652  -18.9082
            22  O2x O    24.6917  -18.2349
            23  C1y C    25.8652  -20.2484
            24  C1y C    23.5306  -18.9082
            25  C1y C    24.6917  -20.9215
            26  O1a O    27.0325  -20.9215
            27  C1y C    23.5306  -20.2484
            28  C6a C    22.5177  -18.0250
            29  O1a O    24.6917  -22.2618
            30  O1a O    22.3817  -20.9215
            31  O6a O    22.7770  -16.7094
            32  O6a O    21.2453  -18.4634
BOND        36
            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     4   9 1
            9     5  10 2
            10    5  11 1
            11    6  12 1
            12    7  13 1
            13    7  14 1
            14    8  15 1
            15   10  16 1
            16   11  17 2
            17   13  18 1 #Down
            18   16  19 2
            19   19  20 1
            20   21  20 1 #Up
            21   21  22 1
            22   21  23 1
            23   22  24 1
            24   23  25 1
            25   23  26 1 #Down
            26   24  27 1
            27   24  28 1 #Up
            28   25  29 1 #Up
            29   27  30 1 #Down
            30   28  31 1
            31   28  32 2
            32    7  12 1
            33    9  10 1
            34   13  15 1
            35   17  19 1
            36   25  27 1

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