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 search
Reaction
Pathway
map00140  Steroid hormone biosynthesis
map04913  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: 7685
ChEBI: 28744
ChEMBL: CHEMBL467987
LIPIDMAPS: LMST02010027
PDB-CCD: ECS[PDBj]
NIKKAJI: J108.138A
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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