| Entry |
|
|---|
| Name |
Phylloquinol;
Vitamin K1 hydroquinone;
Phytonadiol
|
|---|
| Formula |
C31H48O2
|
|---|
| Exact mass |
452.3654
|
|---|
| Mol weight |
452.7116
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map00130 | Ubiquinone and other terpenoid-quinone biosynthesis |
| map01110 | Biosynthesis of secondary metabolites |
|
|---|
| Module |
| M00932 | Phylloquinone biosynthesis, chorismate (+ phytyl-PP) => phylloquinol |
|
|---|
| Enzyme |
|
|---|
| Brite |
Lipids [BR:br08002]
PR Prenol lipids
PR02 Quinones and hydroquinones
PR0203 Vitamin K
C03313 Phylloquinol
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 33
1 C8y C 8.7625 -14.1360
2 C8y C 8.7625 -15.5433
3 C8y C 9.9862 -13.4153
4 C8x C 7.5457 -13.4358
5 C8y C 9.9998 -16.2502
6 C8x C 7.5457 -16.2569
7 C8y C 11.2166 -14.1224
8 O1a O 9.9795 -12.0216
9 C8x C 6.3356 -14.1360
10 C8y C 11.1963 -15.6180
11 O1a O 9.9931 -17.6439
12 C8x C 6.3356 -15.5433
13 C1b C 12.4200 -13.4222
14 C1a C 12.4336 -16.2433
15 C2b C 13.6368 -14.1155
16 C2c C 14.8402 -13.4086
17 C1b C 16.0502 -14.1019
18 C1a C 14.8333 -12.0149
19 C1b C 17.2534 -13.4019
20 C1b C 18.4635 -14.0952
21 C1c C 19.6669 -13.3883
22 C1b C 20.8768 -14.0816
23 C1a C 19.6600 -11.9946
24 C1b C 22.0802 -13.3814
25 C1b C 23.2903 -14.0680
26 C1c C 24.5003 -13.3678
27 C1b C 25.7104 -14.0611
28 C1a C 24.4934 -11.9741
29 C1b C 26.9136 -13.3610
30 C1b C 28.1237 -14.0475
31 C1c C 29.3271 -13.3474
32 C1a C 30.5372 -14.0408
33 C1a C 29.3202 -11.9538
BOND 34
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 2
7 3 8 1
8 4 9 2
9 5 10 2
10 5 11 1
11 6 12 2
12 7 13 1
13 10 14 1
14 13 15 1
15 15 16 2
16 16 17 1
17 16 18 1
18 17 19 1
19 19 20 1
20 20 21 1
21 21 22 1
22 21 23 1 #Down
23 22 24 1
24 24 25 1
25 25 26 1
26 26 27 1
27 26 28 1 #Down
28 27 29 1
29 29 30 1
30 30 31 1
31 31 32 1
32 31 33 1
33 7 10 1
34 9 12 1
|
|---|
