KEGG   COMPOUND: C05301Help
Entry
C05301                      Compound                               

Name
2-Hydroxyestradiol;
2-Hydroxyestradiol-17beta;
2-OH-Estradiol
Formula
C18H24O3
Exact mass
288.1725
Mol weight
288.3814
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Steroid hormone biosynthesis
Ovarian steroidogenesis
Enzyme
1.14.14.1       2.1.1.6
Brite
Compounds with biological roles [BR:br08001]
 Steroids
  18-Carbon atoms
   Estrane derivatives
    C05301  2-Hydroxyestradiol
Lipids [BR:br08002]
 ST  Sterol Lipids
  ST02 Steroids
   ST0201 C18 steroids (estrogens) and derivatives
    C05301  2-Hydroxyestradiol-17beta
BRITE hierarchy
Other DBs
CAS: 
362-05-0
PubChem: 
ChEBI: 
LIPIDMAPS: 
PDB-CCD: 
NIKKAJI: 
KCF data Show

ATOM        21
            1   C1y C    31.1877  -17.4067
            2   C1y C    30.0374  -18.0673
            3   C1z C    31.1933  -16.0856
            4   C1x C    33.5391  -17.4351
            5   C1y C    28.8928  -17.3895
            6   C1x C    30.0374  -19.3939
            7   C1x C    30.0602  -15.4136
            8   C1y C    32.3492  -15.4364
            9   C1a C    31.1877  -14.6225
            10  C1x C    33.5582  -16.1140
            11  C8y C    27.7369  -18.0559
            12  C1x C    28.9042  -16.0684
            13  C1x C    28.8814  -20.0488
            14  O1a O    32.3436  -13.8314
            15  C8y C    27.7313  -19.3825
            16  C8x C    26.5867  -17.3895
            17  C8x C    26.5867  -20.0430
            18  C8y C    25.3740  -18.0559
            19  C8y C    25.3664  -19.3825
            20  O1a O    24.2804  -20.0430
            21  O1a O    24.2064  -17.4012
BOND        24
            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   19  20 1
            20    7  12 1
            21    8  10 1
            22   13  15 1
            23   18  19 1
            24   18  21 1

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