Entry
Name
Caspofungin (INN); Cancidas (TN)
Formula
C52H88N10O15
Exact mass
1092.6431
Mol weight
1093.31
Structure
Mol file KCF file DB search
Simcomp
Neighbor
Remark
Product (DG00636): D02501<JP /US >
Efficacy
Antifungal, Cell wall biosynthesis inhibitor
Comment
Echinocandins
Target
beta-1,3-glucan synthase [KO:
K00706 ]
Pathway
ko00500 Starch and sucrose metabolism
Interaction
DDI search
Structure map
Other map
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303 ]
J ANTIINFECTIVES FOR SYSTEMIC USE
J02 ANTIMYCOTICS FOR SYSTEMIC USE
J02A ANTIMYCOTICS FOR SYSTEMIC USE
J02AX Other antimycotics for systemic use
J02AX04 Caspofungin
D07626 Caspofungin (INN)
Antimicrobials [BR:br08307 ]
Antifungals
Cell membrane function inhibitor
Echinocandin
D07626 Caspofungin (INN)
Antimicrobials abbreviations [BR:br08327 ]
Antifungals
Cell membrane function inhibitor
Echinocandin
DG00636 Caspofungin
BRITE hierarchy
Other DBs
LinkDB
All DBs
KCF data
Show ATOM 77
1 C8x C 44.6600 -17.7100
2 C8x C 44.6600 -19.1100
3 C8y C 45.8500 -19.8100
4 C8x C 47.1100 -19.1100
5 C8x C 47.1100 -17.7100
6 C8y C 45.8500 -17.0100
7 O1a O 45.8500 -15.6100
8 C1c C 45.8500 -21.2100
9 C1c C 44.6600 -21.9100
10 O1a O 47.0400 -21.9100
11 C1c C 43.4000 -21.2100
12 N1b N 43.4000 -19.8100
13 C5a C 42.2100 -21.9100
14 N1b N 42.2100 -23.3100
15 O5a O 41.0200 -21.2100
16 C1c C 41.0200 -24.0100
17 C5a C 39.8300 -23.3100
18 C1c C 41.0200 -25.4100
19 C1b C 42.2100 -26.1100
20 O1a O 39.8300 -26.1100
21 C1b C 42.2100 -27.5100
22 N1a N 43.4000 -28.2100
23 N1y N 38.5700 -24.0100
24 C1y C 37.3800 -23.3100
25 O5a O 39.8300 -21.9100
26 C5a C 37.3800 -21.9100
27 O5a O 38.5700 -21.2100
28 C1y C 36.3300 -24.2900
29 C1x C 36.8900 -25.5500
30 C1x C 38.2900 -25.4100
31 N1b N 36.1900 -21.2100
32 C5a C 42.2100 -19.1100
33 C1y C 42.2100 -17.7100
34 N1y N 41.0200 -17.0100
35 C5a C 39.7600 -17.7100
36 C1c C 38.5700 -17.0100
37 O5a O 39.7600 -19.1100
38 C1c C 38.5700 -15.6100
39 C1a C 39.7600 -14.9100
40 O1a O 37.3800 -14.9100
41 C1x C 43.2600 -16.8000
42 C1y C 42.7000 -15.4700
43 C1x C 41.3000 -15.6800
44 O5a O 41.0200 -19.8100
45 O1a O 43.4000 -14.2800
46 N1b N 37.3800 -17.7100
47 C5a C 36.1900 -17.0100
48 C1c C 35.0000 -17.7100
49 O5a O 36.1900 -15.6100
50 N1b N 33.8100 -17.0100
51 C1b C 35.0000 -19.1100
52 C1c C 34.0200 -20.0900
53 C1c C 34.7900 -21.5600
54 O1a O 32.6200 -20.3000
55 N1b N 34.3000 -22.8900
56 O1a O 35.0000 -23.9400
57 O1a O 44.6600 -23.3100
58 C5a C 32.6200 -17.7100
59 O5a O 32.6200 -19.1100
60 C1b C 31.4300 -17.0100
61 C1b C 30.2400 -17.7100
62 C1b C 29.0500 -17.0100
63 C1b C 27.8600 -17.7100
64 C1b C 26.6700 -17.0100
65 C1b C 25.4800 -17.7100
66 C1b C 24.2900 -17.0100
67 C1b C 23.1000 -17.7100
68 C1c C 21.9100 -17.0100
69 C1b C 20.7200 -17.7100
70 C1a C 21.9100 -15.6100
71 C1c C 19.5300 -17.0100
72 C1b C 18.3400 -17.7100
73 C1a C 19.5300 -15.6100
74 C1a C 17.1500 -17.0100
75 C1b C 32.9000 -22.8900
76 C1b C 32.2700 -24.1500
77 N1a N 30.8700 -24.1500
BOND 80
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 6 7 1
8 3 8 1
9 8 9 1
10 8 10 1 #Down
11 9 11 1
12 11 12 1 #Up
13 11 13 1
14 13 14 1
15 13 15 2
16 16 14 1 #Up
17 16 17 1
18 16 18 1
19 18 19 1
20 18 20 1 #Up
21 19 21 1
22 21 22 1
23 17 23 1
24 23 24 1
25 17 25 2
26 24 26 1 #Up
27 26 27 2
28 24 28 1
29 28 29 1
30 29 30 1
31 23 30 1
32 26 31 1
33 12 32 1
34 33 32 1 #Up
35 33 34 1
36 34 35 1
37 35 36 1
38 35 37 2
39 36 38 1
40 38 39 1
41 38 40 1 #Down
42 33 41 1
43 41 42 1
44 42 43 1
45 34 43 1
46 32 44 2
47 42 45 1 #Down
48 36 46 1 #Up
49 46 47 1
50 47 48 1
51 47 49 2
52 48 50 1 #Down
53 48 51 1
54 51 52 1
55 31 53 1
56 52 53 1
57 52 54 1 #Down
58 53 55 1 #Down
59 28 56 1 #Down
60 9 57 1 #Up
61 50 58 1
62 58 59 2
63 58 60 1
64 60 61 1
65 61 62 1
66 62 63 1
67 63 64 1
68 64 65 1
69 65 66 1
70 66 67 1
71 67 68 1
72 68 69 1
73 68 70 1
74 69 71 1
75 71 72 1
76 71 73 1
77 72 74 1
78 55 75 1
79 75 76 1
80 76 77 1