Entry |
|
Name |
Carboprost;
(15S)-15-Methylprostaglandin F2alpha
|
Formula |
C21H36O5
|
Exact mass |
368.2563
|
Mol weight |
368.5075
|
Structure |
|
Remark |
|
Brite |
Lipids [BR:br08002]
FA Fatty acyls
FA03 Eicosanoids
FA0301 Prostaglandins
C06872 (15S)-15-Methylprostaglandin F2alpha
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
G GENITO URINARY SYSTEM AND SEX HORMONES
G02 OTHER GYNECOLOGICALS
G02A UTEROTONICS
G02AD Prostaglandins
G02AD04 Carboprost
D02343 Carboprost (USAN/INN)
Drug groups [BR:br08330]
Hormonal agent
DG01961 Prostaglandin derivative
DG01960 Prostaglandin F derivative
DG00449 Carboprost
D02343 Carboprost
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Prostaglandin
PTGFR
D02343 Carboprost (USAN/INN)
|
Other DBs |
|
KCF data |
ATOM 26
1 C1b C 28.2575 -13.9650
2 C1b C 29.4497 -14.6534
3 C1b C 30.6420 -13.9650
4 C6a C 31.8343 -14.6534
5 O6a O 33.0266 -13.9650
6 C1y C 23.2596 -16.4431
7 C1y C 23.2596 -15.0664
8 C1y C 21.9517 -14.6534
9 C1x C 21.1258 -15.7548
10 C1y C 21.9517 -16.8562
11 O1a O 21.5309 -13.3426
12 O1a O 21.5309 -18.1671
13 C1b C 24.4519 -13.9650
14 C2b C 25.5755 -14.6534
15 C2b C 27.1587 -14.6534
16 O6a O 31.8343 -16.0298
17 C2b C 24.4519 -17.6134
18 C2b C 25.6443 -16.9250
19 C1d C 26.8365 -17.6134
20 C1b C 28.0288 -16.9250
21 C1b C 29.2212 -17.6134
22 C1b C 30.4134 -16.9250
23 C1b C 31.6057 -17.6134
24 O1a O 27.8101 -18.5868
25 C1a C 32.7854 -16.9322
26 C1a C 25.8472 -18.6027
BOND 26
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 6 7 1
6 7 8 1
7 8 9 1
8 9 10 1
9 6 10 1
10 8 11 1 #Down
11 10 12 1 #Down
12 7 13 1 #Down
13 13 14 1
14 14 15 2
15 1 15 1
16 4 16 2
17 6 17 1 #Up
18 17 18 2
19 18 19 1
20 19 20 1
21 20 21 1
22 21 22 1
23 22 23 1
24 19 24 1 #Down
25 23 25 1
26 19 26 1 #Up
|