Entry |
|
Name |
Erythromycin estolate;
Erythromycin estorate
|
Formula |
C40H71NO14. C12H26O4S
|
Exact mass |
1055.6426
|
Mol weight |
1056.3875
|
Structure |
|
Remark |
|
Brite |
Lipids [BR:br08002]
PK Polyketides
PK04 Macrolides and lactone polyketides
C08031 Erythromycin estolate
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
D DERMATOLOGICALS
D10 ANTI-ACNE PREPARATIONS
D10A ANTI-ACNE PREPARATIONS FOR TOPICAL USE
D10AF Antiinfectives for treatment of acne
D10AF02 Erythromycin
D00851 Erythromycin estolate (USP)
J ANTIINFECTIVES FOR SYSTEMIC USE
J01 ANTIBACTERIALS FOR SYSTEMIC USE
J01F MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
J01FA Macrolides
J01FA01 Erythromycin
D00851 Erythromycin estolate (USP)
S SENSORY ORGANS
S01 OPHTHALMOLOGICALS
S01A ANTIINFECTIVES
S01AA Antibiotics
S01AA17 Erythromycin
D00851 Erythromycin estolate (USP)
Drug groups [BR:br08330]
Antibacterial
DG01551 Macrolide antibiotic
DG01874 14-membered ring macrolide antibiotic
DG00436 Erythromycin
D00851 Erythromycin estolate
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG00436 Erythromycin
D00851 Erythromycin estolate
Metabolizing enzyme inhibitor
DG02852 CYP3A/CYP3A4 inhibitor
DG00436 Erythromycin
D00851 Erythromycin estolate
Transporter inhibitor
DG01622 ABCB1 inhibitor
DG00436 Erythromycin
D00851 Erythromycin estolate
Antimicrobials [BR:br08307]
Antibacterials
Protein biosynthesis inhibitor
Macrolide
D00851 Erythromycin estolate (USP)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D00851
Drug transporters
D00851
|
Other DBs |
|
KCF data |
ATOM 72
1 C1y C 24.3083 -12.0735
2 C1y C 24.3083 -13.3627
3 C1y C 25.4271 -11.4289
4 O7a O 23.2116 -11.4289
5 O2a O 23.2116 -13.9999
6 O2x O 25.4271 -14.0221
7 C1x C 26.5384 -12.0735
8 N1c N 25.4123 -10.1545
9 C7a C 22.5670 -10.3324
10 C1y C 18.4624 -14.4666
11 C1y C 26.5384 -13.3627
12 C1a C 26.5162 -9.5174
13 C1a C 25.0715 -8.9098
14 C1b C 21.3075 -10.3324
15 O6a O 23.2116 -9.2357
16 C1y C 17.3584 -15.1039
17 C1z C 18.4624 -13.1923
18 C1a C 27.6423 -13.9999
19 C1a C 20.6777 -9.2432
20 C1y C 17.3584 -16.3856
21 C1a C 16.4472 -14.1852
22 C1x C 17.3584 -12.5477
23 C1a C 19.6923 -12.8588
24 O1a O 18.6551 -11.9031
25 O2a O 18.2475 -18.5566
26 C1y C 16.2620 -17.0229
27 C1y C 17.3584 -11.2733
28 C1y C 19.9886 -19.6309
29 C7x C 15.1432 -16.3856
30 C1a C 16.2620 -18.2973
31 C5x C 16.2620 -10.6362
32 C1a C 18.4624 -10.6362
33 C1x C 20.3221 -18.3787
34 O2x O 20.8777 -20.5495
35 O7x O 15.1432 -15.1039
36 O6a O 14.0465 -17.0229
37 C1y C 15.1432 -11.2733
38 O5x O 16.2620 -9.3470
39 C1z C 21.5520 -18.0452
40 C1y C 22.1373 -20.2162
41 C1y C 14.0465 -14.4666
42 C1y C 15.1432 -12.5477
43 C1a C 14.0465 -10.6362
44 C1y C 22.4634 -18.9567
45 O2a O 21.0260 -16.7709
46 C1a C 22.4411 -17.1488
47 C1a C 23.0412 -21.1127
48 C1z C 14.0465 -13.1923
49 C1b C 12.9277 -15.0964
50 O1a O 16.2545 -13.1850
51 O1a O 23.7006 -18.6232
52 C1a C 22.0189 -15.3040
53 C1a C 12.5276 -13.7479
54 O1a O 12.4683 -12.1697
55 C1a C 12.5944 -16.3263
56 C1b C 33.9994 -22.7205
57 C1b C 32.7843 -22.0241
58 C1b C 35.2146 -22.0166
59 C1b C 31.5692 -22.7278
60 O2a O 36.4149 -22.7130
61 C1b C 30.3466 -22.0314
62 S4a S 37.6373 -22.0093
63 C1b C 29.1391 -22.7353
64 O1d O 38.8450 -22.7057
65 O1d O 38.6302 -21.0089
66 O1d O 36.4149 -21.3127
67 C1b C 27.9165 -22.0389
68 C1b C 26.7088 -22.7426
69 C1b C 25.5012 -22.0462
70 C1b C 24.2859 -22.7501
71 C1b C 23.0709 -22.0611
72 C1a C 21.8633 -22.7575
BOND 73
1 1 2 1
2 1 3 1
3 1 4 1 #Down
4 2 5 1 #Up
5 2 6 1
6 3 7 1
7 3 8 1 #Up
8 4 9 1
9 10 5 1 #Down
10 6 11 1
11 8 12 1
12 8 13 1
13 9 14 1
14 9 15 2
15 10 16 1
16 10 17 1
17 11 18 1 #Up
18 14 19 1
19 16 20 1
20 16 21 1 #Down
21 17 22 1
22 17 23 1 #Down
23 17 24 1 #Up
24 20 25 1 #Down
25 20 26 1
26 22 27 1
27 28 25 1 #Up
28 26 29 1
29 26 30 1 #Up
30 27 31 1
31 27 32 1 #Down
32 28 33 1
33 28 34 1
34 29 35 1
35 29 36 2
36 31 37 1
37 31 38 2
38 33 39 1
39 34 40 1
40 35 41 1
41 37 42 1
42 37 43 1 #Up
43 39 44 1
44 39 45 1 #Up
45 39 46 1
46 40 47 1 #Down
47 41 48 1
48 41 49 1 #Down
49 42 50 1 #Up
50 44 51 1 #Up
51 45 52 1
52 48 53 1 #Down
53 48 54 1 #Up
54 49 55 1
55 7 11 1
56 40 44 1
57 42 48 1
58 56 57 1
59 56 58 1
60 57 59 1
61 58 60 1
62 59 61 1
63 60 62 1
64 61 63 1
65 62 64 1
66 62 65 2
67 62 66 2
68 63 67 1
69 67 68 1
70 68 69 1
71 69 70 1
72 70 71 1
73 71 72 1
|