KEGG   COMPOUND: C14758Help
Entry
C14758                      Compound                               

Name
ICI 164384;
N-n-Butyl-N-methyl-11-[3,17beta-dihydroxyestra-1,3,5(10)-trien-7alpha-yl]undecanamide
Formula
C34H55NO3
Exact mass
525.4182
Mol weight
525.8054
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 98007-99-9
PubChem: 17395756
ChEMBL: CHEMBL1222035
PDB-CCD: AOE[PDBj]
NIKKAJI: J367.470C
LinkDB All DBs
KCF data Show

ATOM        38
            1   C8x C    21.0487  -21.3705
            2   C8y C    21.0487  -22.7321
            3   C8x C    22.2278  -23.4128
            4   C8y C    23.4068  -22.7321
            5   C8y C    23.4068  -21.3705
            6   C8x C    22.2278  -20.6898
            7   C1x C    24.5860  -23.4128
            8   C1y C    25.7650  -22.7321
            9   C1y C    25.7650  -21.3705
            10  C1y C    24.5860  -20.6898
            11  C1y C    26.9442  -20.6898
            12  C1z C    26.9442  -19.3284
            13  C1x C    25.7650  -18.6477
            14  C1x C    24.5860  -19.3284
            15  C1x C    29.3022  -20.6898
            16  C1x C    29.3022  -19.3284
            17  C1y C    28.1231  -18.6477
            18  C1a C    26.9712  -17.9670
            19  O1a O    28.1283  -17.2862
            20  O1a O    19.8448  -23.4274
            21  C1b C    26.9814  -23.4343
            22  C1b C    28.1634  -22.7517
            23  C1b C    29.3575  -23.4412
            24  C1b C    30.5454  -22.7552
            25  C1b C    31.7365  -23.4429
            26  C1b C    32.9260  -22.7561
            27  C1b C    34.1162  -23.4434
            28  C1b C    35.3061  -22.7564
            29  C1b C    36.4962  -23.4435
            30  C1b C    37.6861  -22.7564
            31  C5a C    38.8761  -23.4436
            32  N1c N    40.0661  -22.7564
            33  O5a O    38.8762  -24.8498
            34  C1b C    41.2561  -23.4436
            35  C1a C    40.0662  -21.3502
            36  C1b C    42.4461  -22.7564
            37  C1b C    43.6361  -23.4436
            38  C1a C    44.8261  -22.7564
BOND        41
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21   12  18 1 #Up
            22   17  19 1 #Up
            23    2  20 1
            24    8  21 1 #Down
            25   21  22 1
            26   22  23 1
            27   23  24 1
            28   24  25 1
            29   25  26 1
            30   26  27 1
            31   27  28 1
            32   28  29 1
            33   29  30 1
            34   30  31 1
            35   31  32 1
            36   31  33 2
            37   32  34 1
            38   32  35 1
            39   34  36 1
            40   36  37 1
            41   37  38 1

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