Entry |
|
Name |
2-Methoxyestrone 3-glucuronide
|
Formula |
C25H32O9
|
Exact mass |
476.2046
|
Mol weight |
476.51
|
Structure |
|
Reaction |
|
Pathway |
|
Enzyme |
|
Brite |
Lipids [BR:br08002]
ST Sterol lipids
ST02 Steroids
ST0201 C18 steroids (estrogens) and derivatives
C11132 2-Methoxyestrone 3-glucuronide
ST05 Steroid conjugates
ST0501 Glucuronides
C11132 2-Methoxyestrone 3-glucuronide
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 34
1 C1y C 26.0202 -18.4526
2 O2x O 24.8070 -17.7543
3 C1y C 23.5958 -18.4558
4 C1y C 23.5976 -19.8556
5 C1y C 24.8107 -20.5539
6 C1y C 26.0221 -19.8524
7 C1y C 31.9926 -15.0037
8 C1y C 33.2140 -15.6473
9 C8y C 30.8571 -15.6611
10 C1x C 31.9788 -13.6252
11 C1y C 34.4003 -14.9840
12 C1x C 33.2140 -17.0190
13 C8y C 30.8446 -17.0376
14 C8x C 29.6359 -14.9840
15 C1x C 33.1595 -12.9560
16 C1z C 34.4003 -13.6437
17 C1x C 32.0598 -17.7286
18 C8x C 29.6359 -17.7206
19 C8y C 28.4680 -15.6611
20 C8y C 28.4680 -17.0526
21 O2a O 27.3139 -14.9690
22 O2a O 27.2338 -17.7680
23 C1a C 27.3496 -13.6042
24 O1a O 27.2324 -20.5491
25 O1a O 22.3890 -20.5556
26 O1a O 24.8126 -21.9505
27 C6a C 22.3852 -17.7592
28 O6a O 22.3835 -16.3626
29 O6a O 21.1767 -18.4590
30 C1x C 36.8252 -14.9840
31 C1x C 36.8252 -13.6437
32 C5x C 35.6127 -12.9437
33 C1a C 34.4003 -12.2437
34 O5x O 35.6128 -11.5501
BOND 38
1 3 4 1
2 7 8 1
3 7 9 1
4 7 10 1
5 8 11 1
6 8 12 1
7 9 13 2
8 9 14 1
9 10 15 1
10 11 16 1
11 12 17 1
12 13 18 1
13 14 19 2
14 18 20 2
15 19 21 1
16 20 22 1
17 21 23 1
18 13 17 1
19 15 16 1
20 19 20 1
21 1 22 1 #Up
22 4 5 1
23 6 24 1 #Down
24 5 6 1
25 4 25 1 #Down
26 6 1 1
27 5 26 1 #Up
28 3 27 1 #Up
29 1 2 1
30 27 28 1
31 2 3 1
32 27 29 2
33 11 30 1
34 30 31 1
35 31 32 1
36 16 32 1
37 16 33 1 #Up
38 32 34 2
|