| Entry |
|
|---|
| Name |
Bilirubin beta-diglucuronide;
Bilirubin-bisglucuronoside
|
|---|
| Formula |
C45H52N4O18
|
|---|
| Exact mass |
936.3277
|
|---|
| Mol weight |
936.9104
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map01110 | Biosynthesis of secondary metabolites |
|
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| Enzyme |
|
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| Other DBs |
|
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| KCF data |
ATOM 67
1 C1y C 22.3715 -12.4128
2 C1y C 21.6880 -13.6175
3 C1y C 22.3874 -14.8160
4 C1y C 23.7716 -14.8062
5 C1y C 24.4624 -13.6016
6 O2x O 23.7620 -12.4066
7 O7a O 25.8502 -13.5948
8 O1a O 21.7054 -16.0288
9 C6a C 21.6751 -11.2153
10 O1a O 20.3002 -13.6259
11 O1a O 24.4766 -16.0098
12 O6a O 22.3595 -10.0110
13 O6a O 20.2874 -11.2224
14 C1y C 35.4903 -14.5724
15 C1y C 36.1853 -13.3701
16 C1y C 35.4830 -12.1621
17 C1y C 34.0988 -12.1668
18 C1y C 33.4109 -13.3760
19 O2x O 34.0998 -14.5736
20 O7a O 32.0230 -13.3777
21 O1a O 36.1767 -10.9590
22 C6a C 36.1892 -15.7723
23 O1a O 37.5731 -13.3667
24 O1a O 33.4053 -10.9676
25 O6a O 35.4935 -16.9742
26 O6a O 37.5771 -15.7704
27 C2y C 34.8544 -21.0211
28 C2y C 35.9241 -21.8281
29 N1x N 35.3025 -19.7527
30 C2y C 37.0354 -21.0583
31 C5x C 36.6413 -19.7823
32 C2y C 23.1597 -21.0686
33 C2y C 22.0704 -21.8583
34 N1x N 22.7445 -19.7884
35 C2y C 20.9015 -21.1315
36 C1a C 22.0542 -23.2442
37 C5x C 21.3341 -19.8560
38 O5x O 20.7638 -18.6015
39 C8y C 30.3383 -21.0510
40 C8y C 30.7453 -19.7734
41 C1b C 28.9722 -21.7370
42 N4x N 31.4199 -21.8303
43 C8y C 32.0872 -19.7734
44 C1b C 30.3908 -18.4669
45 C8y C 27.6362 -21.0510
46 C8y C 32.5013 -21.0510
47 C1a C 32.7498 -18.6034
48 C1b C 30.7396 -17.1602
49 C8y C 27.2151 -19.7850
50 N4x N 26.5466 -21.8490
51 C2b C 33.6540 -21.7195
52 C7a C 30.3791 -15.8418
53 C8y C 25.8852 -19.7850
54 C1b C 27.5593 -18.4844
55 C8y C 25.4593 -21.0510
56 O6a O 29.5987 -15.8534
57 C1a C 25.2050 -18.6150
58 C1b C 27.2034 -17.1778
59 C2b C 24.3067 -21.7370
60 C7a C 27.5407 -15.8708
61 O6a O 28.4099 -15.8534
62 C2b C 35.8937 -23.2155
63 C2a C 37.0792 -23.9391
64 C2b C 19.5786 -21.5528
65 C2a C 19.2856 -22.9079
66 C1a C 38.3466 -21.5141
67 O5x O 37.4826 -18.6768
BOND 72
1 16 17 1
2 17 18 1
3 18 19 1
4 32 33 1
5 32 34 1
6 33 35 2
7 33 36 1
8 34 37 1
9 37 38 2
10 35 37 1
11 19 14 1
12 3 4 1
13 18 20 1 #Up
14 2 10 1 #Down
15 16 21 1 #Up
16 4 5 1
17 14 22 1 #Up
18 4 11 1 #Down
19 15 23 1 #Down
20 5 6 1
21 17 24 1 #Down
22 9 12 1
23 22 25 1
24 6 1 1
25 22 26 2
26 9 13 2
27 5 7 1 #Up
28 1 2 1
29 3 8 1 #Up
30 27 28 1
31 27 29 1
32 28 30 2
33 39 40 2
34 39 41 1
35 39 42 1
36 40 43 1
37 40 44 1
38 41 45 1
39 42 46 1
40 43 47 1
41 44 48 1
42 45 49 2
43 45 50 1
44 46 51 1
45 48 52 1
46 49 53 1
47 49 54 1
48 50 55 1
49 52 20 1
50 52 56 2
51 53 57 1
52 54 58 1
53 55 59 1
54 58 60 1
55 59 32 2
56 60 7 1
57 60 61 2
58 43 46 2
59 53 55 2
60 51 27 2
61 29 31 1
62 28 62 1
63 30 31 1
64 62 63 2
65 2 3 1
66 35 64 1
67 1 9 1 #Up
68 64 65 2
69 14 15 1
70 30 66 1
71 15 16 1
72 31 67 2
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