KEGG   COMPOUND: C11237Help
Entry
C11237                      Compound                               

Name
17beta-Estradiol 17-(beta-D-glucuronide);
Estradiol-17beta-glucuronide;
Glucuronosylestradiol
Formula
C24H32O8
Exact mass
448.2097
Mol weight
448.5061
Structure
Mol fileKCF fileDB search
Brite
Lipids [BR:br08002]
 ST  Sterol Lipids
  ST02 Steroids
   ST0201 C18 steroids (estrogens) and derivatives
    C11237  17beta-Estradiol 17-(beta-D-glucuronide)
  ST05 Steroid conjugates
   ST0501 Glucuronides
    C11237  17beta-Estradiol 17-(beta-D-glucuronide)
BRITE hierarchy
Other DBs
CAS: 1806-98-0
PubChem: 13416
ChEBI: 791
ChEMBL: CHEMBL1697724
LIPIDMAPS: LMST05010025
3DMET: B04213
NIKKAJI: J386.923G
LinkDB All DBs
KCF data Show

ATOM        32
            1   C1y C    29.5880  -18.3267
            2   C1y C    29.5880  -19.6997
            3   O2x O    30.7843  -20.3826
            4   C1y C    31.9663  -19.6997
            5   C1y C    31.9663  -18.3267
            6   C1y C    30.7843  -17.6366
            7   O1a O    30.7860  -16.2636
            8   C6a C    33.1600  -20.3817
            9   O1a O    33.1600  -17.6376
            10  O1a O    28.4021  -17.6361
            11  O2a O    28.3247  -20.3621
            12  C8x C    21.2385  -24.4622
            13  C8y C    21.2385  -25.8352
            14  C8x C    22.4347  -26.5181
            15  C8x C    22.4347  -23.7721
            16  C8y C    23.6168  -24.4622
            17  C8y C    23.6107  -25.8352
            18  C1x C    24.8010  -26.5233
            19  C1x C    25.9902  -25.8455
            20  O1a O    20.0526  -26.5187
            21  C1y C    24.8130  -23.7773
            22  C1y C    25.9903  -24.4754
            23  C1x C    26.0132  -21.7366
            24  C1x C    24.8244  -22.4080
            25  C1z C    27.1976  -22.4276
            26  C1y C    27.1807  -23.7928
            27  C1x C    29.5395  -23.8219
            28  C1x C    29.5563  -22.4569
            29  C1y C    28.3854  -21.7562
            30  C1a C    27.2160  -21.0656
            31  O6a O    34.3458  -19.6978
            32  O6a O    33.1610  -21.7547
BOND        36
            1     2   3 1
            2     5   9 1 #Down
            3    16  17 2
            4    17  18 1
            5    18  19 1
            6    19  22 1
            7    21  16 1
            8     3   4 1
            9    13  20 1
            10    1  10 1 #Down
            11    4   5 1
            12    2  11 1 #Up
            13    5   6 1
            14   21  22 1
            15   22  26 1
            16   25  23 1
            17   23  24 1
            18   24  21 1
            19    6   1 1
            20    6   7 1 #Up
            21   12  13 1
            22   13  14 2
            23   25  26 1
            24   27  28 1
            25   28  29 1
            26   29  25 1
            27   26  27 1
            28   14  17 1
            29   25  30 1 #Up
            30   29  11 1 #Up
            31   16  15 1
            32    8  31 1
            33   15  12 2
            34    8  32 2
            35    1   2 1
            36    4   8 1 #Up

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