| Entry |
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| Name |
Estrone glucuronide;
Estrone 3-glucuronide;
Estrone beta-D-glucuronide
|
|---|
| Formula |
C24H30O8
|
|---|
| Exact mass |
446.1941
|
|---|
| Mol weight |
446.49
|
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| Structure |
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| Reaction |
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| Pathway |
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| Enzyme |
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| Brite |
Lipids [BR:br08002]
ST Sterol lipids
ST02 Steroids
ST0201 C18 steroids (estrogens) and derivatives
C11133 Estrone 3-glucuronide
ST05 Steroid conjugates
ST0501 Glucuronides
C11133 Estrone 3-glucuronide
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 32
1 C1y C 25.8695 -18.7221
2 O2x O 24.6811 -18.0361
3 C1y C 23.4978 -18.7184
4 C1y C 23.4956 -20.0797
5 C1y C 24.6769 -20.7659
6 C1y C 25.9303 -20.0836
7 C1y C 34.1772 -15.2912
8 C1y C 32.9755 -15.9950
9 C1z C 34.1830 -13.9080
10 C1x C 36.5781 -15.2400
11 C1y C 31.7750 -15.3100
12 C1x C 32.9521 -17.3678
13 C1x C 32.9638 -13.2216
14 C5x C 35.3895 -13.2159
15 C1a C 34.0881 -12.4287
16 C1x C 36.5839 -13.9197
17 C8y C 30.5920 -16.0080
18 C1x C 31.7633 -13.9256
19 C1x C 31.7867 -18.0599
20 O5x O 35.3895 -11.8547
21 C8y C 30.5920 -17.3736
22 C8x C 29.4033 -15.3275
23 C8x C 29.4033 -18.0658
24 C8x C 28.2320 -16.0080
25 C8y C 28.2320 -17.3736
26 O2a O 27.0549 -18.0482
27 C6a C 22.3166 -18.0322
28 O1a O 24.6747 -22.1343
29 O1a O 27.0486 -20.7696
30 O1a O 22.3122 -20.7621
31 O6a O 22.3188 -16.6638
32 O6a O 21.1332 -18.7147
BOND 36
1 1 2 1
2 7 8 1
3 7 9 1
4 7 10 1
5 8 11 1
6 8 12 1
7 9 13 1
8 9 14 1
9 9 15 1 #Up
10 10 16 1
11 11 17 1
12 11 18 1
13 12 19 1
14 14 20 2
15 17 21 2
16 17 22 1
17 21 23 1
18 22 24 2
19 23 25 2
20 25 26 1
21 13 18 1
22 14 16 1
23 19 21 1
24 24 25 1
25 1 26 1 #Up
26 2 3 1
27 3 27 1 #Up
28 3 4 1
29 5 28 1 #Up
30 4 5 1
31 6 29 1 #Down
32 5 6 1
33 4 30 1 #Down
34 6 1 1
35 27 31 2
36 27 32 1
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