| Entry |
|
|---|
| Name |
Staphylopine;
(2S)-4-{[(1R)-1-Carboxy-2-(1H-imidazol-4-yl)ethyl]amino}-2-[(1-carboxyethyl)amino]butanoate
|
|---|
| Formula |
C13H20N4O6
|
|---|
| Exact mass |
328.1383
|
|---|
| Mol weight |
328.3211
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
|
|---|
| Module |
| M00949 | Staphylopine biosynthesis, L-histidine => staphylopine |
|
|---|
| Enzyme |
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 23
1 C1c C 21.1795 -16.1700
2 C6a C 21.1795 -14.7700
3 O6a O 19.9670 -14.0700
4 C1b C 22.3919 -16.8700
5 C8y C 23.6044 -16.1700
6 C8x C 23.6044 -14.7700
7 O6a O 22.3919 -14.0700
8 N5x N 24.9358 -16.6026
9 C8x C 25.7588 -15.4700
10 N4x N 24.9358 -14.3374
11 C1c C 16.3297 -16.1700
12 C6a C 16.3297 -14.7700
13 C1b C 17.5422 -16.8700
14 C1b C 18.7546 -16.1700
15 O6a O 17.5422 -14.0700
16 N1b N 19.9670 -16.8700
17 O6a O 15.1173 -14.0700
18 O6a O 11.4800 -16.1700
19 C6a C 12.6924 -16.8700
20 C1c C 13.9049 -16.1700
21 N1b N 15.1173 -16.8700
22 O6a O 12.6924 -18.2700
23 C1a C 13.9049 -14.7700
BOND 23
1 1 2 1
2 2 3 2
3 1 4 1
4 4 5 1
5 5 6 2
6 2 7 1
7 5 8 1
8 8 9 2
9 9 10 1
10 6 10 1
11 11 12 1
12 11 13 1
13 13 14 1
14 12 15 1
15 14 16 1
16 12 17 2
17 18 19 1
18 19 20 1
19 20 21 1
20 19 22 2
21 11 21 1 #Down
22 1 16 1 #Up
23 20 23 1
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|---|
