| Entry |
|
|---|
| Name |
Glucobrassicin;
Indolylmethyl glucosinolate
|
|---|
| Formula |
C16H20N2O9S2
|
|---|
| Exact mass |
448.061
|
|---|
| Mol weight |
448.468
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map01110 | Biosynthesis of secondary metabolites |
| map01210 | 2-Oxocarboxylic acid metabolism |
|
|---|
| Module |
| M00370 | Glucosinolate biosynthesis, tryptophan => glucobrassicin |
|
|---|
| Enzyme |
|
|---|
| Brite |
Phytochemical compounds [BR:br08003]
Amino acid related compounds
Glucosinolates
Glucosinolates derived from tryptophan
C05837 Glucobrassicin
Glycosides [BR:br08021]
S-glycosides
C05837 Glucobrassicin
Secondary metabolites in pathway maps [br08011.html]
Biosynthetic pathways and modules of secondary metabolites
C05837
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 29
1 C8y C 25.4125 -15.1221
2 C1b C 26.5587 -14.4479
3 C2c C 27.7110 -15.1160
4 S2a S 27.6988 -16.4462
5 N2b N 28.8572 -14.4418
6 C1y C 27.7171 -17.8865
7 O2a O 30.0035 -13.7676
8 O2x O 26.5587 -18.5547
9 C1y C 28.8695 -18.5607
10 S4a S 31.2539 -14.7052
11 C1y C 26.5587 -19.8846
12 C1y C 28.8634 -19.8909
13 O1a O 30.0158 -17.8988
14 O1d O 32.5532 -15.5206
15 O1d O 32.3326 -13.4855
16 O1d O 30.1445 -15.8576
17 C1y C 27.7110 -20.5528
18 C1b C 25.4063 -20.5713
19 O1a O 30.0096 -20.5651
20 O1a O 27.6988 -21.8890
21 O1a O 24.2418 -19.9154
22 C8y C 24.1261 -14.5618
23 C8y C 23.1957 -15.6121
24 N4x N 23.9071 -16.8215
25 C8x C 25.2772 -16.5187
26 C8x C 23.6826 -13.2339
27 C8x C 22.3109 -12.9540
28 C8x C 21.3806 -14.0043
29 C8x C 21.8240 -15.3322
BOND 31
1 1 2 1
2 2 3 1
3 3 4 1
4 3 5 2
5 6 4 1 #Up
6 5 7 1
7 6 8 1
8 6 9 1
9 7 10 1
10 8 11 1
11 9 12 1
12 9 13 1 #Down
13 10 14 1
14 10 15 2
15 10 16 2
16 11 17 1
17 11 18 1 #Up
18 12 19 1 #Up
19 17 20 1 #Down
20 18 21 1
21 12 17 1
22 1 22 1
23 22 23 1
24 23 24 1
25 24 25 1
26 1 25 2
27 22 26 2
28 26 27 1
29 27 28 2
30 28 29 1
31 23 29 2
|
|---|
