| Entry |
|
|---|
| Name |
Coumermycin A1;
Coumermycin
|
|---|
| Formula |
C55H59N5O20
|
|---|
| Exact mass |
1109.3753
|
|---|
| Mol weight |
1110.0785
|
|---|
| Structure |
|
|---|
| Remark |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map01110 | Biosynthesis of secondary metabolites |
|
|---|
| Brite |
Glycosides [BR:br08021]
O-glycosides
Coumarin glycosides
C05073 Coumermycin A1
Secondary metabolites in pathway maps [br08011.html]
Biosynthetic pathways and modules of secondary metabolites
C05073
Antimicrobials [BR:br08307]
Antibacterials
Nucleic acid synthesis inhibitor
Other quinolone
D02333 Coumermycin (USAN)
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 80
1 C8y C 44.4186 -24.9855
2 C8y C 44.4186 -26.3562
3 C8x C 45.5838 -27.0416
4 C8x C 46.8175 -26.3562
5 C8y C 46.8175 -24.9855
6 C8y C 45.5838 -24.3001
7 O7x O 43.2535 -24.3001
8 C8y C 42.0198 -24.9855
9 C8y C 42.0198 -26.3562
10 C8y C 43.2535 -27.0416
11 O1a O 43.2535 -28.4124
12 O6a O 40.8547 -24.3001
13 C1a C 45.5838 -22.9293
14 O2a O 47.9826 -24.3001
15 N1b N 40.8547 -27.0416
16 C5a C 39.6895 -26.3562
17 C8y C 38.5244 -27.0416
18 O5a O 39.6895 -24.9855
19 C8y C 37.4278 -26.2192
20 C8y C 36.2626 -27.0416
21 C8x C 36.6738 -28.3438
22 N4x N 38.0446 -28.3438
23 C1a C 37.4278 -24.8484
24 C5a C 35.0975 -26.3562
25 N1b N 33.9323 -27.0416
26 C8y C 32.6986 -26.3562
27 C8y C 31.5335 -27.0416
28 O5a O 35.0975 -24.9855
29 C8y C 32.6986 -24.9855
30 O7x O 31.5335 -24.3001
31 C8y C 30.3683 -24.9855
32 C8y C 30.3683 -26.3562
33 O6a O 33.8638 -24.3001
34 O1a O 31.5335 -28.4124
35 C8y C 29.1347 -24.3001
36 C8y C 27.9695 -24.9855
37 C8x C 27.9695 -26.3562
38 C8x C 29.1347 -27.0416
39 C1a C 29.1347 -22.9293
40 O2a O 26.8044 -24.3001
41 C1y C 26.8044 -21.9698
42 C1y C 27.9914 -21.2844
43 C1y C 27.9914 -19.9137
44 C1y C 26.8044 -19.2283
45 C1z C 25.6173 -19.9137
46 O2x O 25.6173 -21.2844
47 O2a O 26.8044 -17.8575
48 C1a C 24.4468 -19.2377
49 C1a C 24.4301 -20.5990
50 C1a C 25.6173 -17.1722
51 C1y C 47.9826 -21.9013
52 O2x O 49.1697 -21.2844
53 C1z C 49.1697 -19.9137
54 C1y C 47.9826 -19.2283
55 C1y C 46.7955 -19.9137
56 C1y C 46.7955 -21.2844
57 C1a C 50.3402 -19.2377
58 C1a C 50.3403 -20.5896
59 O2a O 47.9826 -17.8575
60 C1a C 49.1697 -17.1722
61 O1a O 29.1786 -21.9698
62 O6a O 30.7769 -21.2844
63 C7a C 30.7769 -19.9137
64 O7a O 29.3842 -19.2283
65 O7a O 45.4028 -19.2283
66 C7a C 44.0100 -19.9137
67 O6a O 44.0100 -21.2844
68 O1a O 45.6084 -21.9698
69 C8y C 31.9661 -19.2271
70 C8y C 42.8209 -19.2271
71 C8x C 31.9661 -17.8564
72 C8x C 42.8209 -17.8564
73 N4x N 33.2698 -19.6508
74 C8y C 34.0755 -18.5417
75 C8x C 33.2698 -17.4328
76 C8x C 41.5173 -17.4328
77 C8y C 40.7116 -18.5417
78 N4x N 41.5173 -19.6507
79 C1a C 35.4402 -18.5417
80 C1a C 39.3468 -18.5417
BOND 88
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 1 7 1
8 7 8 1
9 8 9 1
10 9 10 2
11 2 10 1
12 10 11 1
13 8 12 2
14 6 13 1
15 5 14 1
16 9 15 1
17 15 16 1
18 16 17 1
19 16 18 2
20 17 19 2
21 19 20 1
22 20 21 2
23 21 22 1
24 17 22 1
25 19 23 1
26 20 24 1
27 24 25 1
28 25 26 1
29 26 27 2
30 24 28 2
31 26 29 1
32 29 30 1
33 30 31 1
34 31 32 1
35 27 32 1
36 29 33 2
37 27 34 1
38 31 35 2
39 35 36 1
40 36 37 2
41 37 38 1
42 32 38 2
43 35 39 1
44 36 40 1
45 41 40 1 #Down
46 41 42 1
47 42 43 1
48 43 44 1
49 44 45 1
50 45 46 1
51 41 46 1
52 44 47 1 #Down
53 45 48 1
54 45 49 1
55 47 50 1
56 51 14 1 #Up
57 51 52 1
58 52 53 1
59 53 54 1
60 54 55 1
61 55 56 1
62 51 56 1
63 53 57 1
64 53 58 1
65 54 59 1 #Up
66 59 60 1
67 42 61 1 #Up
68 62 63 2
69 63 64 1
70 43 64 1 #Up
71 55 65 1 #Down
72 65 66 1
73 66 67 2
74 56 68 1 #Down
75 63 69 1
76 66 70 1
77 69 71 2
78 70 72 2
79 69 73 1
80 73 74 1
81 74 75 2
82 71 75 1
83 72 76 1
84 76 77 2
85 77 78 1
86 70 78 1
87 74 79 1
88 77 80 1
|
|---|
