Entry |
|
Name |
|
Formula |
C16H21N3O8S
|
Exact mass |
415.1049
|
Mol weight |
415.42
|
Structure |

|
Reaction |
|
Pathway |
map00311 | Penicillin and cephalosporin biosynthesis |
map01110 | Biosynthesis of secondary metabolites |
map07012 | Cephalosporins - parenteral agents |
|
Enzyme |
|
Brite |
Compounds with biological roles [BR:br08001]
Antibiotics
beta-Lactams
Cephems
C00916 Cephalosporin C
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 28
1 N1y N 29.8961 -19.2045
2 C1y C 29.8961 -17.8311
3 C2y C 31.0805 -19.9163
4 C5x C 28.5228 -19.2045
5 C1y C 28.5228 -17.8311
6 S2x S 31.0805 -17.1446
7 C2y C 32.2836 -19.2170
8 C6a C 31.0679 -21.2895
9 O5x O 27.5528 -20.1682
10 N1b N 26.3872 -17.2578
11 C1x C 32.2836 -17.8311
12 C1b C 33.4680 -19.8975
13 O6a O 29.8773 -21.9574
14 O6a O 32.2522 -21.9763
15 C5a C 25.2031 -16.5775
16 O7a O 34.6586 -19.2107
17 C1b C 24.0187 -17.2578
18 O5a O 25.2031 -15.2042
19 C7a C 35.8429 -19.8975
20 C1b C 22.8281 -16.5775
21 C1a C 37.0273 -19.2107
22 O6a O 35.8493 -21.2643
23 C1b C 21.6438 -17.2578
24 C1c C 20.4594 -16.5775
25 C6a C 19.2688 -17.2578
26 N1a N 20.4594 -15.2042
27 O6a O 18.0845 -16.5713
28 O6a O 19.2751 -18.6313
BOND 29
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
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
|