KEGG   COMPOUND: C14607
Entry
C14607                      Compound                               
Name
Testosterone decanoate;
17beta-Hydroxyandrost-4-en-3-one decanoate
Formula
C29H46O3
Exact mass
442.3447
Mol weight
442.6737
Structure
Remark
Same as: D08573
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G03 SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
   G03B ANDROGENS
    G03BA 3-oxoandrosten (4) derivatives
     G03BA03 Testosterone
      D08573  Testosterone decanoate
Drug groups [BR:br08330]
 Hormonal agent
  DG01590  Androgen receptor agonist
   DG00460  Testosterone
    D08573  Testosterone decanoate
  DG02006  Testosterone
   DG00460  Testosterone
    D08573  Testosterone decanoate
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C4 (AR)
     D08573  Testosterone decanoate
Other DBs
CAS: 5721-91-5
PubChem: 17395607
ChEBI: 35000
NIKKAJI: J225.117E
LinkDB
KCF data

ATOM        32
            1   C1x C    19.2772  -18.8293
            2   C5x C    19.2772  -20.1895
            3   C2x C    20.4551  -20.8695
            4   C2y C    21.6330  -20.1895
            5   C1z C    21.6330  -18.8293
            6   C1x C    20.4551  -18.1493
            7   C1x C    22.8109  -20.8695
            8   C1x C    23.9888  -20.1895
            9   C1y C    23.9888  -18.8293
            10  C1y C    22.8109  -18.1493
            11  C1y C    25.1668  -18.1493
            12  C1z C    25.1668  -16.7891
            13  C1x C    23.9888  -16.1091
            14  C1x C    22.8109  -16.7891
            15  C1x C    27.5225  -18.1493
            16  C1x C    27.5225  -16.7891
            17  C1y C    26.3446  -16.1091
            18  C1a C    25.1938  -15.4291
            19  O7a O    26.3498  -14.7490
            20  O5x O    18.0577  -20.8938
            21  C1a C    21.6300  -17.4300
            22  C7a C    27.5334  -14.0718
            23  C1b C    28.7248  -14.7659
            24  O6a O    27.5390  -12.6703
            25  C1b C    29.9195  -14.0824
            26  C1b C    31.1017  -14.7712
            27  C1b C    32.3010  -14.0850
            28  C1b C    33.4810  -14.7724
            29  C1b C    34.6813  -14.0855
            30  C1b C    35.8609  -14.7726
            31  C1b C    37.0613  -14.0855
            32  C1a C    38.2410  -14.7726
BOND        35
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 1
            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 2
            24    5  21 1 #Up
            25   19  22 1
            26   22  23 1
            27   22  24 2
            28   23  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

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