KEGG   COMPOUND: C08359Help
Entry
C08359                      Compound                               

Name
2-Methoxyestradiol-17beta 3-sulfate
Formula
C19H26O6S
Exact mass
382.145
Mol weight
382.4711
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
    C08359  2-Methoxyestradiol-17beta 3-sulfate
  ST05 Steroid conjugates
   ST0502 Sulfates
    C08359  2-Methoxyestradiol-17beta 3-sulfate
BRITE hierarchy
Other DBs
PubChem: 
ChEBI: 
LIPIDMAPS: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        26
            1   C1y C    32.6683  -16.6473
            2   C1y C    31.4874  -17.3255
            3   C1z C    32.6742  -15.2910
            4   C1x C    35.0127  -16.6707
            5   C1y C    30.3123  -16.6239
            6   C1x C    31.4874  -18.6818
            7   C1x C    31.5108  -14.6011
            8   C1y C    33.8610  -14.6245
            9   C1a C    32.6683  -13.9230
            10  C1x C    35.0302  -15.3144
            11  C8y C    29.1256  -17.3138
            12  C1x C    30.3240  -15.2676
            13  C1x C    30.3006  -19.3600
            14  O1a O    33.8551  -13.2565
            15  C8y C    29.1196  -18.6701
            16  C8x C    27.9445  -16.6239
            17  C8x C    27.9445  -19.3483
            18  C8y C    26.7694  -17.3138
            19  C8y C    26.7637  -18.6701
            20  O2a O    25.5535  -16.6122
            21  O2a O    25.5769  -19.3483
            22  C1a C    25.5535  -15.2150
            23  S4a S    24.1678  -19.3425
            24  O1d O    24.1620  -17.9452
            25  O1d O    24.1620  -20.7397
            26  O1d O    22.7706  -19.3425
BOND        29
            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    8  14 1 #Up
            14   11  15 2
            15   11  16 1
            16   15  17 1
            17   16  18 2
            18   17  19 2
            19   18  20 1
            20   19  21 1
            21   20  22 1
            22   21  23 1
            23   23  24 1
            24   23  25 2
            25   23  26 2
            26    7  12 1
            27    8  10 1
            28   13  15 1
            29   18  19 1

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