| Entry |
|
|---|
| Name |
Glucoiberverin;
3-Methylthiopropyl glucosinolate
|
|---|
| Formula |
C11H21NO9S3
|
|---|
| Exact mass |
407.0378
|
|---|
| Mol weight |
407.4807
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map01110 | Biosynthesis of secondary metabolites |
| map01210 | 2-Oxocarboxylic acid metabolism |
|
|---|
| Enzyme |
2.8.2.-
|
|---|
| Brite |
Phytochemical compounds [BR:br08003]
Amino acid related compounds
Glucosinolates
Glucosinolates derived from methionine
C08412 3-Methylthiopropyl glucosinolate
Glycosides [BR:br08021]
S-glycosides
C08412 Glucoiberverin
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 24
1 C1y C 21.6545 -16.6028
2 O2x O 20.5010 -17.2705
3 C1y C 22.8078 -17.2762
4 S2a S 21.6368 -15.1566
5 C1y C 20.5010 -18.5937
6 C1y C 22.8019 -18.5996
7 O1a O 23.9556 -16.6146
8 C2c C 21.6485 -13.8275
9 C1y C 21.6485 -19.2670
10 C1b C 19.3416 -19.2847
11 O1a O 23.9497 -19.2788
12 N2b N 22.7962 -13.1483
13 C1b C 20.3838 -13.1014
14 O1a O 21.6368 -20.6020
15 O1a O 18.1823 -18.6347
16 O2a O 23.9439 -12.4750
17 C1b C 19.1191 -13.8216
18 S4a S 25.1969 -13.4176
19 C1b C 17.8427 -13.0955
20 O1d O 26.2743 -12.1939
21 O1d O 24.0902 -14.5711
22 O1d O 26.4967 -14.2315
23 S2a S 16.6499 -13.7939
24 C1a C 15.4201 -13.0941
BOND 24
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 3 6 1
6 3 7 1 #Down
7 4 8 1
8 5 9 1
9 5 10 1 #Up
10 6 11 1 #Up
11 8 12 2
12 8 13 1
13 9 14 1 #Down
14 10 15 1
15 12 16 1
16 13 17 1
17 16 18 1
18 17 19 1
19 18 20 2
20 18 21 2
21 18 22 1
22 6 9 1
23 19 23 1
24 23 24 1
|
|---|
