| Entry |
|
|---|
| Name |
Aspoxicillin hydrate (JP18);
ASPC;
Doyle (TN) |
|---|
| Formula |
C21H27N5O7S. 3H2O
|
|---|
| Exact mass |
547.1948
|
|---|
| Mol weight |
547.5792
|
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| Structure |
|
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| Simcomp |
|
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| Class |
|
|---|
| Remark |
|
|---|
| Efficacy |
Antibacterial, Cell wall biosynthesis inhibitor |
|---|
| Target |
penicillin binding protein |
|---|
| Pathway |
|
|---|
| Interaction |
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| Structure map |
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
J ANTIINFECTIVES FOR SYSTEMIC USE
J01 ANTIBACTERIALS FOR SYSTEMIC USE
J01C BETA-LACTAM ANTIBACTERIALS, PENICILLINS
J01CA Penicillins with extended spectrum
J01CA19 Aspoxicillin
D02504 Aspoxicillin hydrate (JP18)
Drug groups [BR:br08330]
Antibacterial
DG01710 beta-Lactam antibiotic
DG01713 Penicillin skeleton group
DG01480 Penicillin
DG00533 Aspoxicillin
D02504 Aspoxicillin hydrate
DG01780 Extended spectrum penicillin
DG00533 Aspoxicillin
D02504 Aspoxicillin hydrate
Antimicrobials [BR:br08307]
Antibacterials
Cell wall biosynthesis inhibitor, beta-lactam
Extended spectrum penicillin
D02504 Aspoxicillin hydrate (JP18)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
Chemicals
D02504 Aspoxicillin hydrate
Drug groups [BR:br08330]
Antibacterial
DG01710 beta-Lactam antibiotic
DG01713 Penicillin skeleton group
DG01480 Penicillin
DG00533 Aspoxicillin
DG01780 Extended spectrum penicillin
DG00533 Aspoxicillin
Antimicrobials abbreviations [BR:br08327]
Antibacterials
Cell wall biosynthesis inhibitor, beta-lactam
Extended spectrum penicillin
DG00533 Aspoxicillin
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 37
1 O0 O 28.7384 -17.9708
2 C1y C 19.3311 -17.1925
3 C5x C 19.3311 -18.5900
4 N1y N 20.7286 -18.5900
5 C1y C 20.7286 -17.1925
6 C1y C 22.0563 -19.0092
7 C1z C 22.8947 -17.8913
8 S2x S 22.0563 -16.7733
9 C1a C 23.8729 -18.8695
10 C1a C 23.8729 -16.9130
11 C6a C 22.5454 -20.4067
12 O6a O 23.9427 -20.4067
13 O6a O 21.7069 -21.5246
14 N1b N 18.1433 -16.4938
15 C5a C 16.9555 -17.1925
16 O5x O 18.1433 -19.2887
17 O5a O 16.9555 -18.5900
18 C1c C 15.6978 -16.4938
19 C8y C 15.6978 -15.0963
20 C8x C 16.9555 -14.3976
21 C8x C 16.9555 -13.0001
22 C8y C 15.6978 -12.3014
23 C8x C 14.5100 -13.0001
24 C8x C 14.5100 -14.3976
25 N1b N 14.5100 -17.1925
26 C5a C 13.3222 -16.4938
27 C1c C 12.0645 -17.1925
28 O5a O 13.3222 -15.0963
29 C1b C 10.8619 -16.4715
30 O1a O 15.6806 -10.9200
31 N1a N 12.0414 -18.6200
32 C5a C 9.6383 -17.1513
33 N1b N 8.4531 -16.4404
34 C1a C 7.2382 -17.1153
35 O5a O 9.6851 -18.5493
36 O0 O 28.7384 -17.9708
37 O0 O 28.7384 -17.9708
BOND 36
1 2 3 1
2 3 4 1
3 4 5 1
4 2 5 1
5 4 6 1
6 6 7 1
7 7 8 1
8 5 8 1
9 7 9 1
10 7 10 1
11 6 11 1 #Down
12 11 12 1
13 11 13 2
14 2 14 1 #Up
15 14 15 1
16 3 16 2
17 15 17 2
18 15 18 1
19 18 19 1 #Down
20 19 20 2
21 20 21 1
22 21 22 2
23 22 23 1
24 23 24 2
25 19 24 1
26 25 26 1
27 26 27 1
28 18 25 1
29 26 28 2
30 27 29 1
31 22 30 1
32 27 31 1 #Down
33 29 32 1
34 32 33 1
35 33 34 1
36 32 35 2
BRACKET 1 26.5300 -18.9700 26.5300 -17.0800
1 29.3300 -17.0800 29.3300 -18.9700
1 3
ORIGINAL 1 1
REPEAT 1 37 38
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