KEGG   COMPOUND: C05302Help
Entry
C05302                      Compound                               

Name
2-Methoxy-17beta-estradiol;
2-Methoxyestradiol-17beta
Formula
C19H26O3
Exact mass
302.1882
Mol weight
302.4079
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Steroid hormone biosynthesis
Enzyme
2.1.1.6         2.4.1.17        2.8.2.15
Brite
Compounds with biological roles [BR:br08001]
 Steroids
  18-Carbon atoms
   Estrane derivatives
    C05302  2-Methoxyestradiol-17beta
Lipids [BR:br08002]
 ST  Sterol Lipids
  ST02 Steroids
   ST0201 C18 steroids (estrogens) and derivatives
    C05302  2-Methoxyestradiol-17beta
BRITE hierarchy
Other DBs
CAS: 
362-07-2
PubChem: 
ChEBI: 
LIPIDMAPS: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        22
            1   C1y C    28.8985  -17.3191
            2   C1y C    30.0740  -18.0150
            3   C8y C    27.7114  -18.0033
            4   C1x C    28.9102  -15.9624
            5   C1y C    31.2552  -17.3366
            6   C1x C    30.0740  -19.3776
            7   C8y C    27.7054  -19.3659
            8   C8x C    26.5300  -17.3191
            9   C1x C    30.0974  -15.2898
            10  C1z C    31.2611  -15.9799
            11  C1x C    33.6003  -17.3658
            12  C1x C    28.8868  -20.0501
            13  C8x C    26.5300  -20.0443
            14  C8y C    25.3545  -18.0033
            15  C1y C    32.4483  -15.3132
            16  C1a C    31.2552  -14.6173
            17  C1x C    33.6178  -16.0090
            18  C8y C    25.3488  -19.3659
            19  O2a O    24.1440  -17.3015
            20  O1a O    32.4423  -13.9447
            21  O1a O    24.1616  -20.0443
            22  C1a C    24.1440  -15.9039
BOND        25
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11    6  12 1
            12    7  13 1
            13    8  14 2
            14   10  15 1
            15   10  16 1 #Up
            16   11  17 1
            17   13  18 2
            18   14  19 1
            19   15  20 1 #Up
            20   18  21 1
            21   19  22 1
            22    7  12 1
            23    9  10 1
            24   14  18 1
            25   15  17 1

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