KEGG   COMPOUND: C11289
Entry
C11289                      Compound                               
Name
17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);
Estradiol 17beta-glucuronide 3-sulfate
Formula
C24H32O11S
Exact mass
528.1665
Mol weight
528.5693
Structure
Brite
Lipids [BR:br08002]
 ST  Sterol lipids
  ST02 Steroids
   ST0201 C18 steroids (estrogens) and derivatives
    C11289  17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide)
  ST05 Steroid conjugates
   ST0501 Glucuronides
    C11289  17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide)
   ST0502 Sulfates
    C11289  17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide)
Other DBs
PubChem: 13464
ChEBI: 792
LIPIDMAPS: LMST05010018
3DMET: B04218
NIKKAJI: J743.341G
LinkDB
KCF data

ATOM        36
            1   O2a O    21.4169  -25.7966
            2   S4a S    20.0181  -25.7906
            3   O1d O    20.0064  -24.3919
            4   O1d O    20.0064  -27.1835
            5   O1d O    18.6194  -25.7906
            6   C1y C    30.9542  -17.6029
            7   C1y C    30.9542  -18.9762
            8   O2x O    32.1507  -19.6592
            9   C1y C    33.3330  -18.9762
            10  C1y C    33.3330  -17.6029
            11  C1y C    32.1507  -16.9127
            12  O1a O    32.1524  -15.5394
            13  C6a C    34.5269  -19.6583
            14  O1a O    34.5269  -16.9137
            15  O1a O    29.7680  -16.9121
            16  O2a O    29.6906  -19.6387
            17  C8x C    22.6030  -23.7396
            18  C8y C    22.6030  -25.1129
            19  C8x C    23.7995  -25.7959
            20  C8x C    23.7995  -23.0493
            21  C8y C    24.9818  -23.7396
            22  C8y C    24.9757  -25.1129
            23  C1x C    26.1663  -25.8011
            24  C1x C    27.3556  -25.1232
            25  C1y C    26.1783  -23.0546
            26  C1y C    27.3558  -23.7528
            27  C1x C    27.3786  -21.0135
            28  C1x C    26.1896  -21.6850
            29  C1z C    28.5633  -21.7046
            30  C1y C    28.5464  -23.0701
            31  C1x C    30.9057  -23.0992
            32  C1x C    30.9224  -21.7339
            33  C1y C    29.7513  -21.0331
            34  C1a C    28.5817  -20.3424
            35  O6a O    35.7129  -18.9743
            36  O6a O    34.5279  -21.0316
BOND        40
            1     2   5 2
            2     1   2 1
            3     2   3 1
            4     2   4 2
            5     7   8 1
            6    10  14 1 #Down
            7    21  22 2
            8    22  23 1
            9    23  24 1
            10   24  26 1
            11   25  21 1
            12    8   9 1
            13   18   1 1
            14    6  15 1 #Down
            15    9  10 1
            16    7  16 1 #Up
            17   10  11 1
            18   25  26 1
            19   26  30 1
            20   29  27 1
            21   27  28 1
            22   28  25 1
            23   11   6 1
            24   11  12 1 #Up
            25   17  18 1
            26   18  19 2
            27   29  30 1
            28   31  32 1
            29   32  33 1
            30   33  29 1
            31   30  31 1
            32   19  22 1
            33   29  34 1 #Up
            34   33  16 1 #Up
            35   21  20 1
            36   13  35 1
            37   20  17 2
            38   13  36 2
            39    6   7 1
            40    9  13 1 #Up

» Japanese version

DBGET integrated database retrieval system