KEGG   COMPOUND: C03935
Entry
C03935                      Compound                               
Name
6beta-Hydroxy-17beta-estradiol;
6beta-Hydroxyestradiol-17beta
Formula
C18H24O3
Exact mass
288.1725
Mol weight
288.3814
Structure
Reaction
Pathway
map00140  Steroid hormone biosynthesis
Enzyme
Brite
Compounds with biological roles [BR:br08001]
 Steroids
  18-Carbon atoms
   Estrane derivatives
    C03935  6beta-Hydroxyestradiol-17beta
Lipids [BR:br08002]
 ST  Sterol lipids
  ST02 Steroids
   ST0201 C18 steroids (estrogens) and derivatives
    C03935  6beta-Hydroxyestradiol-17beta
Other DBs
PubChem: 6661
ChEBI: 16784
LIPIDMAPS: LMST02010031
3DMET: B01701
NIKKAJI: J824.125B
LinkDB
KCF data

ATOM        21
            1   C1y C    19.5491  -15.1553
            2   C1y C    18.3562  -14.4718
            3   C1y C    20.7485  -14.4593
            4   C1x C    19.5554  -16.5410
            5   C8y C    17.1692  -15.1677
            6   C1x C    18.3437  -13.0860
            7   C1z C    20.7485  -13.0736
            8   C1x C    23.1406  -14.4655
            9   C1y C    18.3623  -17.2182
            10  C8y C    17.1692  -16.5347
            11  C8x C    15.9824  -14.4903
            12  C1x C    19.5430  -12.3901
            13  C1y C    21.9539  -12.3840
            14  C1a C    20.7190  -11.8541
            15  C1x C    23.1470  -13.0860
            16  O1a O    18.3499  -18.6366
            17  C8x C    15.9824  -17.2245
            18  C8x C    14.8142  -15.1677
            19  O1a O    21.9477  -11.0292
            20  C8y C    14.8142  -16.5347
            21  O1a O    13.6398  -17.2058
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     4   9 1
            9     5  10 2
            10    5  11 1
            11    6  12 1
            12    7  13 1
            13    7  14 1 #Up
            14    8  15 1
            15    9  16 1 #Up
            16   10  17 1
            17   11  18 2
            18   13  19 1 #Up
            19   17  20 2
            20   20  21 1
            21    7  12 1
            22    9  10 1
            23   13  15 1
            24   18  20 1

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