| Entry |
|
|---|
| Name |
Dhurrin;
(S)-4-Hydroxymandelonitrile beta-D-glucoside
|
|---|
| Formula |
C14H17NO7
|
|---|
| Exact mass |
311.1005
|
|---|
| Mol weight |
311.2873
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map01110 | Biosynthesis of secondary metabolites |
|
|---|
| Module |
| M00369 | Cyanogenic glycoside biosynthesis, tyrosine => dhurrin |
|
|---|
| Enzyme |
|
|---|
| Brite |
Phytochemical compounds [BR:br08003]
Amino acid related compounds
Cyanogenic glucosides
Cyanogenic glucosides derived from thyrosine
C05143 Dhurrin
Glycosides [BR:br08021]
O-glycosides
Cyanogenic glycosides
C05143 Dhurrin
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 22
1 C1y C 26.1968 -20.1418
2 O2a O 27.4033 -19.4359
3 O2x O 24.9776 -19.4424
4 C1y C 26.1968 -21.5536
5 C1c C 28.8472 -18.7429
6 C1y C 23.7646 -20.1418
7 C1y C 24.9776 -22.2660
8 O1a O 27.4098 -22.2468
9 C8y C 29.5337 -19.9622
10 C3b C 29.9958 -18.1526
11 C1y C 23.7646 -21.5536
12 C1b C 22.5583 -19.4424
13 O1a O 24.9711 -23.6586
14 C8x C 28.8215 -21.1685
15 C8x C 30.9200 -19.9814
16 N3a N 31.2343 -17.5172
17 O1a O 22.5518 -22.2468
18 O1a O 21.3518 -20.1418
19 C8x C 29.4952 -22.3879
20 C8x C 31.6065 -21.1942
21 C8y C 30.8943 -22.3944
22 O1a O 31.5809 -23.6135
BOND 23
1 1 2 1 #Up
2 1 3 1
3 1 4 1
4 2 5 1
5 3 6 1
6 4 7 1
7 4 8 1 #Down
8 5 9 1
9 5 10 1 #Down
10 6 11 1
11 6 12 1 #Up
12 7 13 1 #Up
13 9 14 1
14 9 15 2
15 10 16 3
16 11 17 1 #Down
17 12 18 1
18 14 19 2
19 15 20 1
20 19 21 1
21 21 22 1
22 7 11 1
23 20 21 2
|
|---|
