| Entry |
|
|---|
| Name |
all-trans-Retinoyl-beta-glucuronide;
Retinoyl glucuronide
|
|---|
| Formula |
C26H36O8
|
|---|
| Exact mass |
476.2410
|
|---|
| Mol weight |
476.56
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
|
|---|
| Enzyme |
|
|---|
| Brite |
Lipids [BR:br08002]
PR Prenol lipids
PR01 Isoprenoids
PR0109 Retinoids
C11061 all-trans-Retinoyl-beta-glucuronide
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 34
1 C2y C 18.5948 -21.4074
2 C1z C 18.5948 -22.8281
3 C2y C 17.3648 -20.7064
4 C2b C 19.8000 -20.7007
5 C1x C 17.3648 -23.5408
6 C1a C 19.2782 -24.0276
7 C1a C 19.9311 -23.1779
8 C1x C 16.1525 -21.4074
9 C1a C 17.3590 -19.3046
10 C2b C 21.0182 -21.4017
11 C1x C 16.1525 -22.8281
12 C2c C 22.2304 -20.6947
13 C2b C 23.4358 -21.3957
14 C1a C 22.2876 -19.2988
15 C2b C 24.6482 -20.6890
16 C2b C 25.8593 -21.3840
17 C2c C 27.0715 -20.6832
18 C2b C 28.2897 -21.3783
19 C1a C 27.0656 -19.2871
20 C7a C 29.4950 -20.6773
21 O7a O 30.7075 -21.3783
22 O6a O 29.4833 -19.2812
23 C1y C 31.9151 -20.6813
24 O2x O 33.1201 -21.3820
25 C1y C 34.3278 -20.6851
26 C1y C 34.3302 -19.2871
27 C1y C 33.1249 -18.5861
28 C1y C 31.9101 -19.2831
29 O1a O 33.1272 -17.1882
30 C6a C 35.5401 -21.3861
31 O6a O 35.5378 -22.7840
32 O6a O 36.7549 -20.6891
33 O1a O 30.7029 -18.5853
34 O1a O 35.5448 -18.5902
BOND 35
1 12 13 2
2 12 14 1
3 13 15 1
4 15 16 2
5 16 17 1
6 17 18 2
7 17 19 1
8 18 20 1
9 20 21 1
10 20 22 2
11 8 11 1
12 23 21 1 #Up
13 1 2 1
14 1 3 2
15 1 4 1
16 2 5 1
17 2 6 1
18 23 24 1
19 24 25 1
20 25 26 1
21 26 27 1
22 27 28 1
23 28 23 1
24 2 7 1
25 27 29 1 #Up
26 3 8 1
27 25 30 1 #Up
28 3 9 1
29 30 31 1
30 4 10 2
31 30 32 2
32 5 11 1
33 28 33 1 #Down
34 10 12 1
35 26 34 1 #Down
|
|---|
