Entry |
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Name |
17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside
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Formula |
C32H45NO13
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Exact mass |
651.2891
|
Mol weight |
651.6986
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Structure |
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Reaction |
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Enzyme |
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Brite |
Lipids [BR:br08002]
ST Sterol lipids
ST02 Steroids
ST0201 C18 steroids (estrogens) and derivatives
C04806 17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside
ST05 Steroid conjugates
ST0501 Glucuronides
C04806 17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside
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Other DBs |
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LinkDB |
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KCF data |
ATOM 46
1 C1y C 32.4090 -18.6644
2 C1y C 31.2136 -19.3581
3 C1z C 32.4151 -17.2832
4 C1x C 34.7996 -18.6705
5 C1y C 30.0244 -18.6768
6 C1x C 31.2260 -20.7331
7 C1y C 33.6104 -16.5895
8 C1x C 31.2073 -16.6019
9 C1a C 32.4083 -15.7347
10 C1x C 34.8059 -17.2895
11 C8y C 28.8476 -19.3642
12 C1x C 30.0492 -17.2399
13 C1x C 30.0368 -21.4143
14 O2a O 33.5486 -14.9234
15 C8y C 28.8476 -20.7270
16 C8x C 27.6646 -18.6953
17 C1y C 34.7811 -14.5705
18 C8x C 27.6646 -21.4206
19 C8x C 26.4941 -19.3642
20 C1y C 34.7811 -13.2078
21 O2x O 35.9641 -15.2455
22 C8y C 26.4941 -20.7270
23 C1y C 35.9641 -12.5204
24 N1b N 33.6228 -12.3036
25 C1y C 37.1285 -14.5705
26 O2a O 25.3233 -21.3958
27 C1y C 37.1285 -13.2078
28 O1a O 35.9702 -11.1702
29 C5a C 32.0434 -12.9229
30 C1b C 38.2991 -15.2455
31 C1y C 24.1591 -20.7207
32 O1a O 38.2991 -12.5389
33 C1a C 30.8792 -12.2479
34 O5a O 32.0558 -14.2298
35 O1a O 38.2991 -16.5895
36 O2x O 22.9761 -21.3958
37 C1y C 24.1591 -19.3581
38 C1y C 21.8117 -20.7207
39 C1y C 22.9761 -18.6705
40 O1a O 25.3233 -18.4538
41 C1y C 21.8117 -19.3581
42 C6a C 20.6473 -21.3958
43 O1a O 22.9761 -17.3265
44 O1a O 20.6412 -18.6892
45 O6a O 20.6473 -22.7397
46 O6a O 19.4767 -20.7207
BOND 51
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1
8 3 9 1
9 4 10 1
10 5 11 1
11 5 12 1
12 6 13 1
13 7 14 1 #Down
14 11 15 2
15 11 16 1
16 17 14 1 #Up
17 15 18 1
18 16 19 2
19 17 20 1
20 17 21 1
21 18 22 2
22 20 23 1
23 20 24 1 #Down
24 21 25 1
25 22 26 1
26 23 27 1
27 23 28 1 #Up
28 24 29 1
29 25 30 1 #Up
30 31 26 1 #Down
31 27 32 1 #Down
32 29 33 1
33 29 34 2
34 30 35 1
35 31 36 1
36 31 37 1
37 36 38 1
38 37 39 1
39 37 40 1 #Up
40 38 41 1
41 38 42 1 #Down
42 39 43 1 #Down
43 41 44 1 #Up
44 42 45 1
45 42 46 2
46 7 10 1
47 8 12 1
48 13 15 1
49 19 22 1
50 25 27 1
51 39 41 1
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