KEGG   COMPOUND: C02537Help
Entry
C02537                      Compound                               

Name
Estradiol-17alpha;
17alpha-Estradiol
Formula
C18H24O2
Exact mass
272.1776
Mol weight
272.382
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Reaction
Pathway
Steroid hormone biosynthesis
Enzyme
Brite
Compounds with biological roles [BR:br08001]
 Steroids
  18-Carbon atoms
   Estrane derivatives
    C02537  Estradiol-17alpha
Lipids [BR:br08002]
 ST  Sterol Lipids
  ST02 Steroids
   ST0201 C18 steroids (estrogens) and derivatives
    C02537  Estradiol-17alpha
BRITE hierarchy
Other DBs
CAS: 
57-91-0
PubChem: 
ChEBI: 
LIPIDMAPS: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        20
            1   C1y C    31.1532  -17.4922
            2   C1y C    29.9968  -18.1631
            3   C1z C    31.1532  -16.1562
            4   C1x C    33.4595  -17.4981
            5   C1y C    28.8467  -17.5042
            6   C1x C    30.0029  -19.4930
            7   C1x C    29.9909  -15.4972
            8   C1y C    32.3153  -15.4852
            9   C1a C    31.1052  -14.7724
            10  C1x C    33.4655  -16.1622
            11  C8y C    27.7023  -18.1751
            12  C1x C    28.8707  -16.1202
            13  C1x C    28.8526  -20.1520
            14  O1a O    32.3033  -13.7719
            15  C8y C    27.7023  -19.4871
            16  C8x C    26.5581  -17.5220
            17  C8x C    26.5581  -20.1581
            18  C8x C    25.4320  -18.1751
            19  C8y C    25.4320  -19.4871
            20  O1a O    24.2996  -20.1341
BOND        23
            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 #Down
            14   11  15 2
            15   11  16 1
            16   15  17 1
            17   16  18 2
            18   17  19 2
            19   19  20 1
            20    7  12 1
            21    8  10 1
            22   13  15 1
            23   18  19 1

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