KEGG   COMPOUND: C08357Help
Entry
C08357                      Compound                               

Name
Estradiol-17beta 3-sulfate
Formula
C18H24O5S
Exact mass
352.1344
Mol weight
352.4452
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Steroid hormone biosynthesis
Bile secretion
Enzyme
Brite
Lipids [BR:br08002]
 ST  Sterol Lipids
  ST02 Steroids
   ST0201 C18 steroids (estrogens) and derivatives
    C08357  Estradiol-17beta 3-sulfate
  ST05 Steroid conjugates
   ST0502 Sulfates
    C08357  Estradiol-17beta 3-sulfate
BRITE hierarchy
Other DBs
PubChem: 
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LIPIDMAPS: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        24
            1   C1y C    31.4576  -17.2962
            2   C1y C    30.2825  -16.6005
            3   C1y C    32.6387  -16.6179
            4   C1x C    31.4576  -18.6585
            5   C8y C    29.0956  -17.2845
            6   C1x C    30.2942  -15.2441
            7   C1z C    32.6445  -15.2615
            8   C1x C    34.9831  -16.5771
            9   C1x C    30.2708  -19.3308
            10  C8y C    29.0898  -18.6468
            11  C8x C    27.9147  -16.6005
            12  C1x C    31.4810  -14.5716
            13  C1y C    33.8313  -14.5950
            14  C1a C    32.6387  -13.8994
            15  C1x C    35.0007  -15.2907
            16  C8x C    27.9147  -19.3250
            17  C8x C    26.7395  -17.2845
            18  O1a O    33.8256  -13.2269
            19  C8y C    26.7336  -18.6468
            20  O2a O    25.5467  -19.3250
            21  S4a S    24.1435  -19.3191
            22  O1d O    24.1318  -17.9159
            23  O1d O    24.1318  -20.7163
            24  O1d O    22.7405  -19.3191
BOND        27
            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 #Up
            14    8  15 1
            15   10  16 1
            16   11  17 2
            17   13  18 1 #Up
            18   16  19 2
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   21  23 2
            23   21  24 2
            24    7  12 1
            25    9  10 1
            26   13  15 1
            27   17  19 1

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