KEGG   COMPOUND: C13334Help
Entry
C13334                      Compound                               

Name
Pitavastatin;
(3R,5S,E)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-3,5-dihydroxyhept-6-enoate
Formula
C25H23FNO4
Exact mass
420.1611
Mol weight
420.4528
Structure
Mol fileKCF fileDB search
Pathway
map07024  HMG-CoA reductase inhibitors
Other DBs
CAS: 147511-69-1
PubChem: 586078
ChEBI: 32020 71260
ChEMBL: CHEMBL1201753
LinkDB All DBs
KCF data Show

ATOM        31
            1   C8x C    26.6837  -27.4037
            2   C8x C    26.6837  -28.8133
            3   C8x C    27.8818  -29.5181
            4   C8y C    29.1505  -28.8133
            5   C8y C    29.1505  -27.4037
            6   C8x C    27.8818  -26.6989
            7   N5x N    30.3486  -29.5181
            8   C8y C    31.5468  -28.8133
            9   C8y C    31.5468  -27.4037
            10  C8y C    30.3486  -26.6989
            11  C8y C    30.3486  -25.2893
            12  C8x C    31.5468  -24.5845
            13  C8x C    31.5468  -23.1749
            14  C8y C    30.3486  -22.4701
            15  C8x C    29.1505  -23.1749
            16  C8x C    29.1505  -24.5845
            17  C2b C    32.7449  -26.6989
            18  C2b C    33.9431  -27.4037
            19  X   F    30.3486  -21.0605
            20  C1y C    32.7449  -29.5181
            21  C1c C    35.1413  -26.6989
            22  C1b C    36.3394  -27.4037
            23  C1c C    37.5376  -26.6989
            24  C1b C    38.7358  -27.4037
            25  O1a O    35.1413  -25.2893
            26  O1a O    37.5376  -25.2893
            27  C6a C    39.9339  -26.6989
            28  O6a O    41.1321  -27.4037 #-
            29  O6a O    39.9339  -25.2893
            30  C1x C    34.1546  -29.5181
            31  C1x C    33.4498  -30.7163
BOND        34
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12   10  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   11  16 1
            19    9  17 1
            20   17  18 2
            21   14  19 1
            22    8  20 1
            23   18  21 1
            24   21  22 1
            25   22  23 1
            26   23  24 1
            27   21  25 1 #Up
            28   23  26 1 #Up
            29   24  27 1
            30   27  28 1
            31   27  29 2
            32   31  30 1
            33   31  20 1
            34   20  30 1

» Japanese version

DBGET integrated database retrieval system