| Entry |
|
|---|
| Name |
O-Carbamoyl-deacetylcephalosporin C
|
|---|
| Formula |
C15H20N4O8S
|
|---|
| Exact mass |
416.1002
|
|---|
| Mol weight |
416.4063
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map00311 | Penicillin and cephalosporin biosynthesis |
| map01110 | Biosynthesis of secondary metabolites |
|
|---|
| Module |
| M00673 | Cephamycin C biosynthesis, aminoadipate + cycteine + valine => cephamycin C |
|
|---|
| Enzyme |
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 28
1 N1y N 26.4845 -23.4796
2 C1y C 26.4904 -22.0902
3 C2y C 27.6872 -24.1684
4 C5x C 25.1011 -23.4853
5 C1y C 25.0951 -22.0902
6 S2x S 27.6929 -21.3897
7 C2y C 28.8896 -23.4796
8 C6a C 27.7512 -25.5986
9 O5x O 23.8517 -24.1801
10 N1b N 23.6941 -22.0785
11 C1x C 28.8896 -22.0902
12 C1b C 30.1271 -24.1918
13 O6a O 26.4320 -26.3108
14 O6a O 28.9130 -26.3225
15 C5a C 22.4799 -21.3839
16 O7a O 31.3355 -23.4853
17 C1b C 21.2715 -22.0785
18 O5a O 22.4742 -19.9886
19 C7a C 32.5439 -24.1742
20 C1b C 20.0690 -21.3839
21 N1a N 33.7523 -23.4679
22 O6a O 32.5556 -25.5752
23 C1b C 18.8606 -22.0785
24 C1c C 17.6580 -21.3839
25 C6a C 16.4496 -22.0785
26 N1a N 17.6463 -19.9886
27 O6a O 15.2354 -21.3839
28 O6a O 16.4496 -23.4796
BOND 29
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1 #Up
6 3 7 2
7 3 8 1
8 4 9 2
9 5 10 1 #Up
10 6 11 1
11 7 12 1
12 8 13 1
13 8 14 2
14 10 15 1
15 12 16 1
16 15 17 1
17 15 18 2
18 16 19 1
19 17 20 1
20 19 21 1
21 19 22 2
22 20 23 1
23 23 24 1
24 24 25 1
25 24 26 1 #Down
26 25 27 1
27 25 28 2
28 4 5 1
29 7 11 1
|
|---|
