| Entry |
|
|---|
| Name |
7a-Hydroxy-O-carbamoyl-deacetylcephalosporin C
|
|---|
| Formula |
C15H20N4O9S
|
|---|
| Exact mass |
432.0951
|
|---|
| Mol weight |
432.4057
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map00311 | Penicillin and cephalosporin biosynthesis |
| map01110 | Biosynthesis of secondary metabolites |
|
|---|
| Module |
| M00673 | Cephamycin C biosynthesis, aminoadipate + cycteine + valine => cephamycin C |
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 29
1 C1y C 26.4785 -22.0962
2 N1y N 26.4785 -23.4853
3 C1z C 25.0893 -22.0962
4 S2x S 27.6808 -21.4017
5 C2y C 27.6808 -24.1800
6 C5x C 25.0893 -23.4912
7 N1b N 23.6885 -22.0904
8 O1a O 25.0777 -20.7012
9 C1x C 28.8832 -22.1021
10 C2y C 28.8773 -23.4912
11 C6a C 27.6691 -25.6099
12 O5x O 23.8402 -24.1916
13 C5a C 22.4746 -21.3900
14 C1b C 30.1205 -24.1974
15 O6a O 26.4201 -26.3220
16 O6a O 28.9066 -26.3277
17 C1b C 21.2663 -22.0904
18 O5a O 22.4629 -19.9951
19 O7a O 31.3228 -23.4912
20 C1b C 20.0581 -21.3900
21 C7a C 32.5369 -24.1857
22 C1b C 18.8557 -22.0904
23 N1a N 33.7452 -23.4795
24 O6a O 32.5427 -25.5808
25 C1c C 17.6475 -21.3900
26 C6a C 16.4452 -22.0904
27 N1a N 17.6417 -19.9951
28 O6a O 15.2311 -21.3900
29 O6a O 16.4452 -23.4853
BOND 30
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 2 6 1
6 3 7 1 #Up
7 3 8 1 #Down
8 4 9 1
9 5 10 2
10 5 11 1
11 6 12 2
12 7 13 1
13 10 14 1
14 11 15 1
15 11 16 2
16 13 17 1
17 13 18 2
18 14 19 1
19 17 20 1
20 19 21 1
21 20 22 1
22 21 23 1
23 21 24 2
24 22 25 1
25 25 26 1
26 25 27 1 #Down
27 26 28 1
28 26 29 2
29 3 6 1
30 9 10 1
|
|---|
