Entry |
|
Name |
2-Methylpropyl glucosinolate;
Isobutyl glucosinolate
|
Formula |
C11H21NO9S2
|
Exact mass |
375.0658
|
Mol weight |
375.42
|
Structure |
|
Pathway |
map01110 | Biosynthesis of secondary metabolites |
map01210 | 2-Oxocarboxylic acid metabolism |
|
Brite |
Phytochemical compounds [BR:br08003]
Amino acid related compounds
Glucosinolates
Glucosinolates derived from leucine
C17256 2-Methylpropyl glucosinolate
Glycosides [BR:br08021]
S-glycosides
C17256 2-Methylpropyl glucosinolate
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 23
1 C1y C 18.1197 -16.3512
2 O2x O 16.9645 -17.0199
3 C1y C 19.2749 -17.0256
4 S2a S 18.1020 -14.9027
5 C1y C 16.9645 -18.3451
6 C1y C 19.2690 -18.3509
7 O1a O 20.4244 -16.3630
8 C2c C 18.1137 -13.5717
9 C1y C 18.1137 -19.0195
10 C1b C 15.8032 -19.0372
11 O1a O 20.4185 -19.0313
12 N2b N 19.2633 -12.8913
13 C1b C 16.8471 -12.8444
14 O1a O 18.1020 -20.3565
15 O1a O 14.6422 -18.3862
16 O2a O 20.4127 -12.2169
17 C1c C 15.5805 -13.5658
18 S4a S 21.6676 -13.1611
19 O1d O 22.7467 -11.9354
20 O1d O 20.5593 -14.3164
21 O1d O 22.9694 -13.9761
22 C1a C 14.3764 -12.8611
23 C1a C 15.6421 -14.9911
BOND 23
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 18 19 2
19 18 20 2
20 18 21 1
21 6 9 1
22 17 22 1
23 17 23 1
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