Entry |
|
Name |
17beta-Estradiol 17-(beta-D-glucuronide);
Estradiol-17beta-glucuronide;
Glucuronosylestradiol
|
Formula |
C24H32O8
|
Exact mass |
448.2097
|
Mol weight |
448.5061
|
Structure |
|
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)
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Other DBs |
|
KCF data |
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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