| Entry |
|
|---|
| Name |
Cilofungin (USAN/INN) |
|---|
| Formula |
C49H71N7O17
|
|---|
| Exact mass |
1029.4906
|
|---|
| Mol weight |
1030.12
|
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| Structure |
|
|---|
| Simcomp |
|
|---|
| Efficacy |
Antifungal, Cell wall biosynthesis inhibitor |
|---|
| Comment |
Echinocandins
|
|---|
| Target |
beta-1,3-glucan synthase [KO: K00706] |
|---|
| Pathway |
| ko00500 | Starch and sucrose metabolism |
|
|---|
| Brite |
Antimicrobials [BR:br08307]
Antifungals
Cell membrane function inhibitor
Echinocandin
D03500 Cilofungin (USAN/INN)
|
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| Other DBs |
|
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| LinkDB |
|
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| KCF data |
ATOM 73
1 N1y N 9.5900 -18.1300
2 C5a C 10.7800 -18.8300
3 C1c C 12.0400 -18.1300
4 C5a C 12.0400 -15.9600
5 N1b N 13.2300 -18.8300
6 C5a C 14.4200 -18.1300
7 C1c C 14.4200 -15.9600
8 N1b N 13.2300 -15.2600
9 C1c C 15.6800 -18.8300
10 C1b C 16.8700 -18.1300
11 N1b N 16.8700 -15.9600
12 C5a C 15.6800 -15.2600
13 C1c C 18.0600 -18.8300
14 C1c C 19.3200 -18.1300
15 C5a C 19.3200 -15.9600
16 C1c C 18.0600 -15.2600
17 N1b N 20.5100 -18.8300
18 C5a C 21.7000 -18.1300
19 C1y C 21.7000 -15.9600
20 N1y N 20.5100 -15.2600
21 O5a O 15.6800 -13.8600
22 C1c C 18.0600 -11.9700
23 C1a C 19.2500 -11.2700
24 O1a O 16.8700 -11.2700
25 O5a O 19.3200 -17.3600
26 C1y C 22.7500 -15.0500
27 C1y C 22.1900 -13.7200
28 C1x C 20.7900 -13.7200
29 O1a O 24.1500 -15.3300
30 C1c C 14.4200 -13.3700
31 O1a O 15.6100 -12.6700
32 C1c C 13.2300 -12.6700
33 O1a O 12.0400 -13.3700
34 C8y C 13.2300 -11.2700
35 C8x C 14.4200 -10.5700
36 C8x C 14.4200 -9.1700
37 C8y C 13.2300 -8.4700
38 C8x C 11.9700 -9.1700
39 C8x C 11.9700 -10.5700
40 O1a O 13.2300 -7.0700
41 O5a O 22.8900 -18.8300
42 N1b N 15.6800 -23.1700
43 O5a O 14.4200 -16.7300
44 C5a C 16.8700 -23.8700
45 C8y C 18.0600 -23.1700
46 O5a O 16.8700 -25.2700
47 O5a O 10.7800 -20.2300
48 C1c C 12.0400 -20.8600
49 C1a C 10.8500 -21.5600
50 O1a O 13.2300 -21.5600
51 O5a O 12.0400 -17.3600
52 C1y C 9.5900 -15.9600
53 C1x C 8.2585 -15.5274
54 C1y C 7.4356 -17.0800
55 C1x C 8.2585 -18.5626
56 O1a O 6.0201 -17.0937
57 C1a C 22.9053 -12.5166
58 O1a O 18.0428 -20.2299
59 O1a O 19.3200 -19.5300
60 C8x C 19.2724 -23.8700
61 C8x C 20.4849 -23.1700
62 C8y C 20.4849 -21.7700
63 C8x C 19.2724 -21.0700
64 C8x C 18.0600 -21.7700
65 O2a O 21.7160 -21.0590
66 C1b C 22.9212 -21.7547
67 C1b C 24.1035 -21.0719
68 C1b C 25.2975 -21.7612
69 C1b C 26.4854 -21.0752
70 C1b C 27.6724 -21.7700
71 C1b C 28.8849 -21.0700
72 C1b C 30.0973 -21.7700
73 C1a C 31.3097 -21.0700
BOND 77
1 1 2 1
2 2 3 1
3 3 5 1 #Down
4 5 6 1
5 7 8 1 #Down
6 4 8 1
7 6 9 1
8 9 10 1
9 11 12 1
10 7 12 1
11 10 13 1
12 13 14 1
13 15 16 1
14 11 16 1
15 14 17 1
16 17 18 1
17 18 19 1
18 19 20 1
19 15 20 1
20 12 21 2
21 16 22 1
22 22 23 1
23 22 24 1 #Down
24 15 25 2
25 19 26 1
26 26 27 1
27 27 28 1
28 20 28 1
29 26 29 1 #Down
30 7 30 1
31 30 31 1 #Up
32 30 32 1
33 32 33 1 #Up
34 32 34 1
35 34 35 2
36 35 36 1
37 36 37 2
38 37 38 1
39 38 39 2
40 34 39 1
41 37 40 1
42 18 41 2
43 9 42 1 #Down
44 6 43 2
45 42 44 1
46 44 46 2
47 2 47 2
48 3 48 1
49 48 49 1
50 48 50 1 #Down
51 4 51 2
52 1 52 1
53 52 53 1
54 53 54 1
55 54 55 1
56 1 55 1
57 52 4 1
58 54 56 1 #Down
59 44 45 1
60 27 57 1 #Down
61 13 58 1 #Down
62 14 59 1 #Down
63 45 60 2
64 60 61 1
65 61 62 2
66 62 63 1
67 63 64 2
68 45 64 1
69 62 65 1
70 68 69 1
71 65 66 1
72 66 67 1
73 67 68 1
74 69 70 1
75 70 71 1
76 71 72 1
77 72 73 1
|
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