KEGG   COMPOUND: C05141Help
Entry
C05141                      Compound                               

Name
Estriol;
1,3,5(10)-Estratriene-3,16-alpha,17beta-triol
Formula
C18H24O3
Exact mass
288.1725
Mol weight
288.3814
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Comment
Estrogen
Reaction
Pathway
Steroid hormone biosynthesis
Metabolic pathways
Progesterone, androgen and estrogen receptor agonists/antagonists
Enzyme
1.1.1.62        1.14.14.1       2.4.1.17
Brite
Compounds with biological roles [BR:br08001]
 Steroids
  18-Carbon atoms
   Estrane and derivatives
    C05141  Estriol
 Hormones and transmitters
  Steroid hormones
   Estrogens
    C05141  Estriol
Lipids [BR:br08002]
 ST  Sterol Lipids
  ST02 Steroids
   ST0201 C18 steroids (estrogens) and derivatives
    C05141  Estriol
BRITE hierarchy
Other DBs
CAS: 
50-27-1
PubChem: 
ChEBI: 
LIPIDMAPS: 
LipidBank: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        21
            1   C1y C    23.5304  -17.3600
            2   C1y C    22.3397  -18.0510
            3   C1z C    23.5304  -15.9842
            4   C1x C    25.9056  -17.3661
            5   C1y C    21.1551  -17.3723
            6   C1x C    22.3460  -19.4205
            7   C1y C    24.7273  -15.2932
            8   C1x C    22.3336  -15.3055
            9   C1a C    23.4255  -14.5838
            10  C1y C    25.9119  -15.9904
            11  C8y C    19.9768  -18.0572
            12  C1x C    21.1675  -15.9287
            13  C1x C    21.1614  -20.0992
            14  O1a O    24.7273  -13.9544
            15  O1a O    27.0779  -15.3241
            16  C8y C    19.9768  -19.4145
            17  C8x C    18.7985  -17.3908
            18  C8x C    18.7985  -20.1054
            19  C8x C    17.6386  -18.0572
            20  C8y C    17.6386  -19.4145
            21  O1a O    16.4726  -20.0807
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    7  14 1 #Up
            14   10  15 1 #Down
            15   11  16 2
            16   11  17 1
            17   16  18 1
            18   17  19 2
            19   18  20 2
            20   20  21 1
            21    7  10 1
            22    8  12 1
            23   13  16 1
            24   19  20 1

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