KEGG   DRUG: IcosapentHelp
Entry
D08061                      Drug                                   

Name
Icosapent (INN);
Eicosapentaenoic acid
Formula
C20H30O2
Exact mass
302.2246
Mol weight
302.451
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Same as: C06428
Efficacy
Anticoagulant, Platelet aggregation inhibitor
Structure map
map07052  Antidyslipidemic agents
Other DBs
CAS: 10417-94-4
PubChem: 96024753
ChEBI: 28364
ChEMBL: CHEMBL460026
DrugBank: DB00159
PDB-CCD: EPA[PDBj]
LigandBox: D08061
NIKKAJI: J343.473G
LinkDB All DBs
KCF data Show

ATOM        22
            1   C2b C    21.4900  -18.2700
            2   C2b C    22.8900  -18.2700
            3   C1b C    20.2300  -18.9700
            4   C1b C    24.0800  -18.9700
            5   C2b C    19.0400  -18.2700
            6   C2b C    25.2700  -18.2700
            7   C2b C    17.6400  -18.2700
            8   C2b C    26.6700  -18.2700
            9   C1b C    16.4500  -18.9700
            10  C1b C    27.9300  -18.9700
            11  C1b C    15.1900  -18.2700
            12  C2b C    29.1200  -18.2700
            13  C1b C    14.0000  -18.9700
            14  C2b C    30.5200  -18.2700
            15  C6a C    12.8100  -18.2700
            16  C1b C    31.7100  -18.9700
            17  O6a O    11.5500  -18.9700
            18  O6a O    12.8100  -16.8700
            19  C2b C    32.9700  -18.2700
            20  C2b C    34.3700  -18.2700
            21  C1b C    35.5600  -18.9700
            22  C1a C    36.7500  -18.2700
BOND        21
            1     1   2 2
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     4   6 1
            6     5   7 2
            7     6   8 2
            8     7   9 1
            9     8  10 1
            10    9  11 1
            11   10  12 1
            12   11  13 1
            13   12  14 2
            14   13  15 1
            15   14  16 1
            16   15  17 1
            17   15  18 2
            18   16  19 1
            19   19  20 2
            20   20  21 1
            21   21  22 1

» Japanese version   » Back

DBGET integrated database retrieval system