Entry |
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Name |
17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide);
Estradiol 17beta-glucuronide 3-sulfate
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Formula |
C24H32O11S
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Exact mass |
528.1665
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Mol weight |
528.5693
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Structure |
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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)
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Other DBs |
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LinkDB |
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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
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