| Entry |
|
|---|
| Name |
Isonocardicin A;
1-Azetidineacetic acid
|
|---|
| Formula |
C23H24N4O9
|
|---|
| Exact mass |
500.1543
|
|---|
| Mol weight |
500.46
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map01110 | Biosynthesis of secondary metabolites |
|
|---|
| Module |
| M00736 | Nocardicin A biosynthesis, L-pHPG + arginine + serine => nocardicin A |
|
|---|
| Enzyme |
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 36
1 C1y C 30.5317 -20.9410
2 C5x C 30.5331 -22.3354
3 N1y N 31.8533 -22.3266
4 C1x C 31.9147 -20.9361
5 O5x O 29.5520 -23.3292
6 N1b N 29.8296 -19.7251
7 C5a C 28.6238 -20.4365
8 C2c C 27.4072 -19.7342
9 C8y C 26.1907 -20.4365
10 O5a O 28.6305 -21.8412
11 N2b N 27.4072 -18.3298
12 C1c C 33.0858 -23.0398
13 C8y C 34.2989 -22.3394
14 C8x C 35.5119 -23.0398
15 C6a C 33.0852 -24.4402
16 O6a O 31.8555 -25.1496
17 O6a O 34.2816 -25.1319
18 C8x C 36.7249 -22.3394
19 C8y C 36.7249 -20.9388
20 C8x C 35.5119 -20.2383
21 C8x C 34.2989 -20.9388
22 O1a O 37.9231 -20.2468
23 C8x C 24.9777 -19.7362
24 C8x C 23.7646 -20.4365
25 C8y C 23.7646 -21.8372
26 C8x C 24.9777 -22.5377
27 C8x C 26.1907 -21.8372
28 O2a O 22.5359 -22.5496
29 C1b C 21.3229 -21.8492
30 C1b C 20.1098 -22.5496
31 C1c C 18.8969 -21.8492
32 C6a C 17.6838 -22.5496
33 N1a N 18.8969 -20.4485
34 O6a O 16.4500 -21.8369
35 O6a O 17.6837 -23.9499
36 O1b O 28.6401 -17.6176
BOND 38
1 1 2 1
2 2 3 1
3 3 4 1
4 1 4 1
5 2 5 2
6 1 6 1 #Up
7 6 7 1
8 7 8 1
9 8 9 1
10 7 10 2
11 8 11 2
12 3 12 1
13 12 13 1
14 13 14 1
15 12 15 1 #Down
16 15 16 2
17 15 17 1
18 14 18 2
19 18 19 1
20 19 20 2
21 20 21 1
22 13 21 2
23 19 22 1
24 9 23 2
25 23 24 1
26 24 25 2
27 25 26 1
28 26 27 2
29 9 27 1
30 25 28 1
31 28 29 1
32 29 30 1
33 30 31 1
34 31 32 1
35 31 33 1 #Up
36 32 34 1
37 32 35 2
38 11 36 1
|
|---|
