| Entry |
|
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| Name |
Troleandomycin;
Triacetyloleandomycin
|
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| Formula |
C41H67NO15
|
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| Exact mass |
813.4511
|
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| Mol weight |
813.9684
|
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| Structure |
|
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| Remark |
|
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| Brite |
Lipids [BR:br08002]
PK Polyketides
PK04 Macrolides and lactone polyketides
C12753 Troleandomycin
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
J ANTIINFECTIVES FOR SYSTEMIC USE
J01 ANTIBACTERIALS FOR SYSTEMIC USE
J01F MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
J01FA Macrolides
J01FA08 Troleandomycin
D01322 Troleandomycin (USAN/INN)
Drug groups [BR:br08330]
Antibacterial
DG01551 Macrolide antibiotic
DG01874 14-membered ring macrolide antibiotic
D01322 Troleandomycin
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
D01322 Troleandomycin
Metabolizing enzyme inhibitor
DG02852 CYP3A/CYP3A4 inhibitor
DG01522 CYP3A4 inhibitor
D01322 Troleandomycin
Antimicrobials [BR:br08307]
Antibacterials
Protein biosynthesis inhibitor
Macrolide
D01322 Troleandomycin (USAN/INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D01322
|
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| Other DBs |
|
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| KCF data |
ATOM 57
1 C1z C 21.2191 -12.2472
2 C1x C 21.2059 -10.8588
3 O2x O 22.4692 -11.5587
4 C1x C 21.2191 -13.6123
5 C5x C 20.0375 -11.5587
6 C1y C 22.4066 -14.2836
7 C1y C 18.8615 -12.2472
8 O5x O 20.0375 -10.2049
9 C1y C 22.4066 -15.6489
10 C1a C 23.5769 -13.6066
11 C1y C 18.8615 -13.6123
12 C1a C 17.6797 -11.5587
13 C1y C 21.2191 -16.3314
14 O2a O 23.8442 -16.5362
15 C1y C 17.6797 -14.2836
16 C1y C 21.2191 -17.6911
17 C1a C 20.0375 -15.6489
18 C1y C 25.8979 -16.3028
19 C1y C 17.6797 -15.6489
20 C1a C 16.5038 -13.6066
21 O2a O 22.4066 -18.3680
22 C1y C 20.0375 -18.3680
23 C1y C 26.5576 -15.1154
24 O2x O 26.5977 -17.4674
25 O7x O 18.8615 -16.3314
26 C1a C 16.4980 -16.3373
27 C1y C 22.4904 -20.0006
28 C7x C 18.8615 -17.6911
29 C1a C 20.0375 -19.7275
30 C1y C 27.9172 -15.0924
31 O7a O 25.8462 -13.9393
32 C1y C 27.9514 -17.4443
33 C1x C 22.4904 -21.3716
34 O2x O 23.6664 -19.3237
35 O6a O 17.6797 -18.3680
36 C1x C 28.6112 -16.2569
37 N1c N 28.5768 -13.9049
38 C1y C 23.6664 -22.0428
39 C1y C 24.8425 -20.0006
40 C1a C 29.9306 -13.9502
41 C1y C 24.8425 -21.3716
42 O2a O 23.6723 -23.4023
43 C1a C 26.0184 -19.3237
44 O7a O 26.0184 -22.0428
45 C1a C 22.4962 -24.0848
46 C7a C 25.8387 -12.5644
47 C1a C 27.0233 -11.8716
48 O6a O 24.6463 -11.8848
49 O7a O 16.9846 -12.5836
50 C7a C 15.7923 -11.8974
51 O6a O 15.7904 -10.5248
52 C1a C 14.6046 -12.5851
53 C7a C 27.2037 -21.3507
54 C1a C 28.3957 -22.0310
55 O6a O 27.1969 -19.9783
56 C1a C 28.5768 -12.5397
57 C1a C 28.6624 -18.6290
BOND 60
1 7 11 1
2 7 12 1 #Up
3 9 13 1
4 9 14 1 #Down
5 11 15 1
6 13 16 1
7 13 17 1 #Down
8 18 14 1 #Up
9 15 19 1
10 15 20 1 #Down
11 16 21 1 #Down
12 16 22 1
13 18 23 1
14 18 24 1
15 19 25 1
16 19 26 1 #Down
17 27 21 1 #Down
18 22 28 1
19 22 29 1 #Up
20 23 30 1
21 23 31 1 #Down
22 24 32 1
23 27 33 1
24 27 34 1
25 28 35 2
26 30 36 1
27 30 37 1 #Up
28 33 38 1
29 34 39 1
30 37 40 1
31 38 41 1
32 38 42 1 #Up
33 39 43 1 #Up
34 41 44 1 #Down
35 42 45 1
36 2 3 1
37 25 28 1
38 32 36 1
39 39 41 1
40 31 46 1
41 1 2 1
42 46 47 1
43 1 3 1 #Up
44 46 48 2
45 1 4 1
46 11 49 1 #Up
47 1 5 1
48 49 50 1
49 4 6 1
50 50 51 2
51 5 7 1
52 50 52 1
53 5 8 2
54 44 53 1
55 6 9 1
56 53 54 1
57 6 10 1 #Down
58 53 55 2
59 37 56 1
60 32 57 1 #Up
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