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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2007-03-12 13:20:14 UTC

Update Date

2022-03-07 02:49:29 UTC

HMDB ID

HMDB0005814

Secondary Accession Numbers

HMDB05814

Metabolite Identification

Common Name

Testosterone enanthate

Description

Testosterone enanthate is used in androgen substitution to replace testosterone at levels as close to physiological levels as is possible. For some androgen-dependent functions testosterone is a pro-hormone, peripherally converted to 5alpha-dihydrotestosterone (DHT) and 17beta-estradiol (E2), of which the levels preferably should be within normal physiological ranges. Furthermore, androgens should have a good safety profile without adverse effects on the prostate, serum lipids, liver or respiratory function, and they must be convenient to use and patient-friendly, with a relative independence from medical services. Natural testosterone is viewed as the best androgen for substitution in hypogonadal men. testosterone enanthate is used to treat male hypogonadism. Male hypogonadism is one of the most common endocrinologic syndromes. The diagnosis is based on clinical signs and symptoms plus laboratory confirmation via the measurement of low morning testosterone levels on two different occasions. Serum luteinizing hormone and follicle-stimulating hormone levels distinguish between primary (hypergonadotropic) and secondary (hypogonadotropic) hypogonadism. Osteoporosis in male hypogonadism: responses to androgen substitution differ among men with primary and secondary hypogonadism. In primary hypogonadal men the on bone mineral density (BMD) responds dose dependently to testosterone substitution, whereas in secondary hypogonadism only testosterone enanthate treatment significantly increased the BMD. In all mammalian species studied to date, testosterone has been found to be the predominant intratesticular steroid. In volunteers receiving hormonal contraception by using a combination of testosterone enanthate and levonorgestrel, there is a profound reduction of both intratesticular testosterone concentration and androgen bioactivity. High doses of testosterone enanthate can normalize hematocrit values of maintenance hemodialysis patients with replenished bone marrow iron stores. testosterone enanthate is classified as a prohibited substance by the World Anti-Doping Agency (WADA) and its use may be detected by way of the urinary testosterone/epitestosterone (T/E) ratio. (PMID: 16185098 , 16467270 , 15329035 , 17530941 , 17484401 , 4028529 , 12792150 ).

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

 
  Mrv0541 02231220302D          
 
 32 35  0  0  1  0            999 V2000
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   14.4054  -11.6923    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.6652  -12.9214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2377  -12.1103    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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 31 32  1  0  0  0  0
M  END

HMDB0005814
     RDKit          3D
Testosterone enanthate
 69 72  0  0  0  0  0  0  0  0999 V2000
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M  END

 
  Mrv0541 02231220302D          
 
 32 35  0  0  1  0            999 V2000
   13.6617  -12.0997    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.9426  -11.6994    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.4054  -11.6923    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.6652  -12.9214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2377  -12.1103    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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 31 32  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0005814

> <DATABASE_NAME>
hmdb

> <SMILES>
[H][C@@]12CC[C@H](OC(=O)CCCCCC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C

> <INCHI_IDENTIFIER>
InChI=1S/C26H40O3/c1-4-5-6-7-8-24(28)29-23-12-11-21-20-10-9-18-17-19(27)13-15-25(18,2)22(20)14-16-26(21,23)3/h17,20-23H,4-16H2,1-3H3/t20-,21-,22-,23-,25-,26-/m0/s1

> <INCHI_KEY>
VOCBWIIFXDYGNZ-IXKNJLPQSA-N

> <FORMULA>
C26H40O3

> <MOLECULAR_WEIGHT>
400.594

> <EXACT_MASS>
400.297745146

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
49.195539271605384

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,2R,10R,11S,14S,15S)-2,15-dimethyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-14-yl heptanoate

> <ALOGPS_LOGP>
5.11

> <JCHEM_LOGP>
6.2853592150000015

> <ALOGPS_LOGS>
-5.94

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
19.086854770611325

> <JCHEM_PKA_STRONGEST_BASIC>
-4.814862904769633

> <JCHEM_POLAR_SURFACE_AREA>
43.370000000000005

> <JCHEM_REFRACTIVITY>
116.61219999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.63e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
everone

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0005814
     RDKit          3D
Testosterone enanthate
 69 72  0  0  0  0  0  0  0  0999 V2000
    8.7830   -0.0086   -0.3088 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2480   -1.3930   -0.5721 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2259   -1.7143    0.4657 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0947   -0.7113    0.4138 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4103   -0.7151   -0.9215 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2800    0.2408   -1.0627 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1784   -0.0323   -0.1176 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1371   -0.9873    0.6950 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0467    0.8115   -0.0716 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9934    0.5502    0.8326 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8412    1.7875    1.7058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6140    2.2151    1.5788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2791    0.9500    1.2112 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6262    1.0578    0.6037 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5435    1.7629    1.5617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9678    1.7775    1.1564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3983    0.6187    0.3656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6997    0.4615    0.1616 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2614   -0.6436   -0.6043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3889   -0.6253   -1.1439 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4378   -1.8739   -0.7530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1253   -1.7496   -0.0027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4895   -0.3935   -0.2253 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.3589   -0.2142   -1.7282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1236   -0.3782    0.3897 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1647   -1.1799   -0.4215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7346   -1.0545   -0.0254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3402    0.3813    0.1438 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3691    1.1656   -1.1226 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7919    0.0626   -0.7386 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7727    0.1390    0.7891 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1640    0.7794   -0.7690 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1306   -2.0791   -0.4916 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8385   -1.5431   -1.5712 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6466   -1.6523    1.4992 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8442   -2.7544    0.3675 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5944    0.2866    0.6136 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3435   -0.8924    1.2004 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1273   -0.4882   -1.7544 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0788   -1.7802   -1.0969 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9073    0.2988   -2.1228 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7170    1.2705   -0.8906 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2195   -0.3470    1.4238 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5355    2.5929    1.4242 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9788    1.4545    2.7587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9910    2.5959    2.5702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6812    3.0240    0.8429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2922    0.2637    2.0599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6573    1.5711   -0.3582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3527    1.3446    2.5776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1884    2.8310    1.6131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2229    2.6957    0.5495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5863    1.9023    2.0938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3985    1.1801    0.5767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0213   -2.7178   -0.3446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2613   -2.0368   -1.8352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4544   -2.5170   -0.4324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2986   -1.8921    1.0783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3227    0.1212   -2.1678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6070    0.5405   -2.0016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1592   -1.2189   -2.1567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1873   -0.8290    1.4020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2374   -1.0005   -1.5129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4417   -2.2655   -0.2753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5527   -1.5576    0.9627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1175   -1.5501   -0.8006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6398    2.2153   -1.0279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0078    0.7024   -1.9136 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6724    1.1435   -1.5586 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  6
 23 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  6
 28 10  1  0
 28 13  1  0
 25 14  1  0
 23 17  1  0
  1 30  1  0
  1 31  1  0
  1 32  1  0
  2 33  1  0
  2 34  1  0
  3 35  1  0
  3 36  1  0
  4 37  1  0
  4 38  1  0
  5 39  1  0
  5 40  1  0
  6 41  1  0
  6 42  1  0
 10 43  1  1
 11 44  1  0
 11 45  1  0
 12 46  1  0
 12 47  1  0
 13 48  1  1
 14 49  1  6
 15 50  1  0
 15 51  1  0
 16 52  1  0
 16 53  1  0
 18 54  1  0
 21 55  1  0
 21 56  1  0
 22 57  1  0
 22 58  1  0
 24 59  1  0
 24 60  1  0
 24 61  1  0
 25 62  1  1
 26 63  1  0
 26 64  1  0
 27 65  1  0
 27 66  1  0
 29 67  1  0
 29 68  1  0
 29 69  1  0
M  END

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE:                                                   
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  C   UNK     0      25.502 -22.586   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      24.160 -21.839   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      26.890 -21.826   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      25.508 -24.120   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      22.844 -22.606   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      24.153 -20.312   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      26.877 -20.305   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      29.489 -21.826   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      24.179 -24.907   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      22.863 -24.140   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      21.521 -21.852   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      22.837 -21.085   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      25.475 -19.545   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      28.133 -19.518   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      26.864 -18.705   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      29.469 -20.292   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      21.535 -24.920   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      20.192 -22.619   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      28.127 -17.918   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      20.199 -24.153   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      18.830 -24.947   0.000  0.00  0.00           O+0
HETATM   22  H   UNK     0      25.489 -20.986   0.000  0.00  0.00           H+0
HETATM   23  H   UNK     0      24.146 -23.432   0.000  0.00  0.00           H+0
HETATM   24  H   UNK     0      26.884 -23.406   0.000  0.00  0.00           H+0
HETATM   25  C   UNK     0      29.484 -17.128   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      30.857 -17.913   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      29.477 -15.556   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0      32.189 -17.137   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      33.553 -17.918   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      34.889 -17.140   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      36.251 -17.920   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      37.589 -17.141   0.000  0.00  0.00           C+0
CONECT    1    2    3    4   22                                             
CONECT    2    1    5    6   23                                             
CONECT    3    1    7    8   24                                             
CONECT    4    1    9                                                       
CONECT    5    2   10   11   12                                             
CONECT    6    2   13                                                       
CONECT    7    3   14   15   13                                             
CONECT    8    3   16                                                       
CONECT    9    4   10                                                       
CONECT   10    5   17    9                                                  
CONECT   11    5   18                                                       
CONECT   12    5                                                            
CONECT   13    6    7                                                       
CONECT   14    7   19   16                                                  
CONECT   15    7                                                            
CONECT   16    8   14                                                       
CONECT   17   10   20                                                       
CONECT   18   11   20                                                       
CONECT   19   14   25                                                       
CONECT   20   17   21   18                                                  
CONECT   21   20                                                            
CONECT   22    1                                                            
CONECT   23    2                                                            
CONECT   24    3                                                            
CONECT   25   19   26   27                                                  
CONECT   26   25   28                                                       
CONECT   27   25                                                            
CONECT   28   26   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31                                                            
MASTER        0    0    0    0    0    0    0    0   32    0   70    0
END

COMPND    HMDB0005814
HETATM    1  C1  UNL     1       8.783  -0.009  -0.309  1.00  0.00           C  
HETATM    2  C2  UNL     1       8.248  -1.393  -0.572  1.00  0.00           C  
HETATM    3  C3  UNL     1       7.226  -1.714   0.466  1.00  0.00           C  
HETATM    4  C4  UNL     1       6.095  -0.711   0.414  1.00  0.00           C  
HETATM    5  C5  UNL     1       5.410  -0.715  -0.922  1.00  0.00           C  
HETATM    6  C6  UNL     1       4.280   0.241  -1.063  1.00  0.00           C  
HETATM    7  C7  UNL     1       3.178  -0.032  -0.118  1.00  0.00           C  
HETATM    8  O1  UNL     1       3.137  -0.987   0.695  1.00  0.00           O  
HETATM    9  O2  UNL     1       2.047   0.812  -0.072  1.00  0.00           O  
HETATM   10  C8  UNL     1       0.993   0.550   0.833  1.00  0.00           C  
HETATM   11  C9  UNL     1       0.841   1.788   1.706  1.00  0.00           C  
HETATM   12  C10 UNL     1      -0.614   2.215   1.579  1.00  0.00           C  
HETATM   13  C11 UNL     1      -1.279   0.950   1.211  1.00  0.00           C  
HETATM   14  C12 UNL     1      -2.626   1.058   0.604  1.00  0.00           C  
HETATM   15  C13 UNL     1      -3.543   1.763   1.562  1.00  0.00           C  
HETATM   16  C14 UNL     1      -4.968   1.777   1.156  1.00  0.00           C  
HETATM   17  C15 UNL     1      -5.398   0.619   0.366  1.00  0.00           C  
HETATM   18  C16 UNL     1      -6.700   0.462   0.162  1.00  0.00           C  
HETATM   19  C17 UNL     1      -7.261  -0.644  -0.604  1.00  0.00           C  
HETATM   20  O3  UNL     1      -8.389  -0.625  -1.144  1.00  0.00           O  
HETATM   21  C18 UNL     1      -6.438  -1.874  -0.753  1.00  0.00           C  
HETATM   22  C19 UNL     1      -5.125  -1.750  -0.003  1.00  0.00           C  
HETATM   23  C20 UNL     1      -4.490  -0.393  -0.225  1.00  0.00           C  
HETATM   24  C21 UNL     1      -4.359  -0.214  -1.728  1.00  0.00           C  
HETATM   25  C22 UNL     1      -3.124  -0.378   0.390  1.00  0.00           C  
HETATM   26  C23 UNL     1      -2.165  -1.180  -0.422  1.00  0.00           C  
HETATM   27  C24 UNL     1      -0.735  -1.054  -0.025  1.00  0.00           C  
HETATM   28  C25 UNL     1      -0.340   0.381   0.144  1.00  0.00           C  
HETATM   29  C26 UNL     1      -0.369   1.166  -1.123  1.00  0.00           C  
HETATM   30  H1  UNL     1       9.792   0.063  -0.739  1.00  0.00           H  
HETATM   31  H2  UNL     1       8.773   0.139   0.789  1.00  0.00           H  
HETATM   32  H3  UNL     1       8.164   0.779  -0.769  1.00  0.00           H  
HETATM   33  H4  UNL     1       9.131  -2.079  -0.492  1.00  0.00           H  
HETATM   34  H5  UNL     1       7.839  -1.543  -1.571  1.00  0.00           H  
HETATM   35  H6  UNL     1       7.647  -1.652   1.499  1.00  0.00           H  
HETATM   36  H7  UNL     1       6.844  -2.754   0.367  1.00  0.00           H  
HETATM   37  H8  UNL     1       6.594   0.287   0.614  1.00  0.00           H  
HETATM   38  H9  UNL     1       5.343  -0.892   1.200  1.00  0.00           H  
HETATM   39  H10 UNL     1       6.127  -0.488  -1.754  1.00  0.00           H  
HETATM   40  H11 UNL     1       5.079  -1.780  -1.097  1.00  0.00           H  
HETATM   41  H12 UNL     1       3.907   0.299  -2.123  1.00  0.00           H  
HETATM   42  H13 UNL     1       4.717   1.270  -0.891  1.00  0.00           H  
HETATM   43  H14 UNL     1       1.219  -0.347   1.424  1.00  0.00           H  
HETATM   44  H15 UNL     1       1.536   2.593   1.424  1.00  0.00           H  
HETATM   45  H16 UNL     1       0.979   1.454   2.759  1.00  0.00           H  
HETATM   46  H17 UNL     1      -0.991   2.596   2.570  1.00  0.00           H  
HETATM   47  H18 UNL     1      -0.681   3.024   0.843  1.00  0.00           H  
HETATM   48  H19 UNL     1      -1.292   0.264   2.060  1.00  0.00           H  
HETATM   49  H20 UNL     1      -2.657   1.571  -0.358  1.00  0.00           H  
HETATM   50  H21 UNL     1      -3.353   1.345   2.578  1.00  0.00           H  
HETATM   51  H22 UNL     1      -3.188   2.831   1.613  1.00  0.00           H  
HETATM   52  H23 UNL     1      -5.223   2.696   0.550  1.00  0.00           H  
HETATM   53  H24 UNL     1      -5.586   1.902   2.094  1.00  0.00           H  
HETATM   54  H25 UNL     1      -7.398   1.180   0.577  1.00  0.00           H  
HETATM   55  H26 UNL     1      -7.021  -2.718  -0.345  1.00  0.00           H  
HETATM   56  H27 UNL     1      -6.261  -2.037  -1.835  1.00  0.00           H  
HETATM   57  H28 UNL     1      -4.454  -2.517  -0.432  1.00  0.00           H  
HETATM   58  H29 UNL     1      -5.299  -1.892   1.078  1.00  0.00           H  
HETATM   59  H30 UNL     1      -5.323   0.121  -2.168  1.00  0.00           H  
HETATM   60  H31 UNL     1      -3.607   0.541  -2.002  1.00  0.00           H  
HETATM   61  H32 UNL     1      -4.159  -1.219  -2.157  1.00  0.00           H  
HETATM   62  H33 UNL     1      -3.187  -0.829   1.402  1.00  0.00           H  
HETATM   63  H34 UNL     1      -2.237  -1.000  -1.513  1.00  0.00           H  
HETATM   64  H35 UNL     1      -2.442  -2.265  -0.275  1.00  0.00           H  
HETATM   65  H36 UNL     1      -0.553  -1.558   0.963  1.00  0.00           H  
HETATM   66  H37 UNL     1      -0.117  -1.550  -0.801  1.00  0.00           H  
HETATM   67  H38 UNL     1      -0.640   2.215  -1.028  1.00  0.00           H  
HETATM   68  H39 UNL     1      -1.008   0.702  -1.914  1.00  0.00           H  
HETATM   69  H40 UNL     1       0.672   1.144  -1.559  1.00  0.00           H  
CONECT    1    2   30   31   32
CONECT    2    3   33   34
CONECT    3    4   35   36
CONECT    4    5   37   38
CONECT    5    6   39   40
CONECT    6    7   41   42
CONECT    7    8    8    9
CONECT    9   10
CONECT   10   11   28   43
CONECT   11   12   44   45
CONECT   12   13   46   47
CONECT   13   14   28   48
CONECT   14   15   25   49
CONECT   15   16   50   51
CONECT   16   17   52   53
CONECT   17   18   18   23
CONECT   18   19   54
CONECT   19   20   20   21
CONECT   21   22   55   56
CONECT   22   23   57   58
CONECT   23   24   25
CONECT   24   59   60   61
CONECT   25   26   62
CONECT   26   27   63   64
CONECT   27   28   65   66
CONECT   28   29
CONECT   29   67   68   69
END

HMDB0005814
     RDKit          3D
Testosterone enanthate
 69 72  0  0  0  0  0  0  0  0999 V2000
    8.7830   -0.0086   -0.3088 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2480   -1.3930   -0.5721 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2259   -1.7143    0.4657 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0947   -0.7113    0.4138 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4103   -0.7151   -0.9215 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2800    0.2408   -1.0627 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1784   -0.0323   -0.1176 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1371   -0.9873    0.6950 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0467    0.8115   -0.0716 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9934    0.5502    0.8326 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8412    1.7875    1.7058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6140    2.2151    1.5788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2791    0.9500    1.2112 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6262    1.0578    0.6037 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5435    1.7629    1.5617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9678    1.7775    1.1564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3983    0.6187    0.3656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6997    0.4615    0.1616 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2614   -0.6436   -0.6043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3889   -0.6253   -1.1439 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4378   -1.8739   -0.7530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1253   -1.7496   -0.0027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4895   -0.3935   -0.2253 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.3589   -0.2142   -1.7282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1236   -0.3782    0.3897 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1647   -1.1799   -0.4215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7346   -1.0545   -0.0254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3402    0.3813    0.1438 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3691    1.1656   -1.1226 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7919    0.0626   -0.7386 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7727    0.1390    0.7891 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1640    0.7794   -0.7690 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1306   -2.0791   -0.4916 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8385   -1.5431   -1.5712 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6466   -1.6523    1.4992 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8442   -2.7544    0.3675 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5944    0.2866    0.6136 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3435   -0.8924    1.2004 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1273   -0.4882   -1.7544 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0788   -1.7802   -1.0969 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9073    0.2988   -2.1228 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7170    1.2705   -0.8906 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2195   -0.3470    1.4238 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5355    2.5929    1.4242 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9788    1.4545    2.7587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9910    2.5959    2.5702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6812    3.0240    0.8429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2922    0.2637    2.0599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6573    1.5711   -0.3582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3527    1.3446    2.5776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1884    2.8310    1.6131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2229    2.6957    0.5495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5863    1.9023    2.0938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3985    1.1801    0.5767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0213   -2.7178   -0.3446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2613   -2.0368   -1.8352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4544   -2.5170   -0.4324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2986   -1.8921    1.0783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3227    0.1212   -2.1678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6070    0.5405   -2.0016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1592   -1.2189   -2.1567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1873   -0.8290    1.4020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2374   -1.0005   -1.5129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4417   -2.2655   -0.2753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5527   -1.5576    0.9627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1175   -1.5501   -0.8006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6398    2.2153   -1.0279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0078    0.7024   -1.9136 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6724    1.1435   -1.5586 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  6
 23 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  6
 28 10  1  0
 28 13  1  0
 25 14  1  0
 23 17  1  0
  1 30  1  0
  1 31  1  0
  1 32  1  0
  2 33  1  0
  2 34  1  0
  3 35  1  0
  3 36  1  0
  4 37  1  0
  4 38  1  0
  5 39  1  0
  5 40  1  0
  6 41  1  0
  6 42  1  0
 10 43  1  1
 11 44  1  0
 11 45  1  0
 12 46  1  0
 12 47  1  0
 13 48  1  1
 14 49  1  6
 15 50  1  0
 15 51  1  0
 16 52  1  0
 16 53  1  0
 18 54  1  0
 21 55  1  0
 21 56  1  0
 22 57  1  0
 22 58  1  0
 24 59  1  0
 24 60  1  0
 24 61  1  0
 25 62  1  1
 26 63  1  0
 26 64  1  0
 27 65  1  0
 27 66  1  0
 29 67  1  0
 29 68  1  0
 29 69  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
17-((1-Oxoheptyl)oxy)androst-4-en-3-one	ChEBI
17-Hydroxyandrost-4-en-3-one, 17-heptanoate	ChEBI
17beta-Hydroxyandrost-4-en-3-one heptanoate	ChEBI
Testosterone 17-enanthate	ChEBI
Testosterone heptanoate	ChEBI
Delatestryl	Kegg
17-Hydroxyandrost-4-en-3-one, 17-heptanoic acid	Generator
17b-Hydroxyandrost-4-en-3-one heptanoate	Generator
17b-Hydroxyandrost-4-en-3-one heptanoic acid	Generator
17beta-Hydroxyandrost-4-en-3-one heptanoic acid	Generator
17Β-hydroxyandrost-4-en-3-one heptanoate	Generator
17Β-hydroxyandrost-4-en-3-one heptanoic acid	Generator
Testosterone 17-enanthic acid	Generator
Testosterone heptanoic acid	Generator
Testosterone enanthic acid	Generator
17beta-Enanthoxyandrost-4-en-3-one	HMDB
17beta-Hydroxyandrost-4-en-3-one enanthate	HMDB
4-Androsten-17beta-ol-3-one 17-enanthate	HMDB
4-Androsten-3-one 17beta-enanthate	HMDB
Androgyn l.a.	HMDB
Andropository	HMDB
Androtardyl	HMDB
Atlatest	HMDB
DEA no. 4000	HMDB
Delatest	HMDB
DePatestrye	HMDB
depo-testro Med	HMDB
Ditate	HMDB
Durathate	HMDB
Everone	HMDB
Exten test	HMDB
Malogen l.a.	HMDB
Malogen l.a.200	HMDB
Orquisteron-e	HMDB
Primotestone	HMDB
reposo TMD	HMDB
Testanthate	HMDB
Testate	HMDB
Testenate	HMDB
Testinon	HMDB
Testoenant	HMDB
Testonenant	HMDB
Testosterone 17beta-heptanoate	HMDB
Testosterone 17beta-heptanoic acid	HMDB
Testosterone enantate	HMDB
Testosterone heptoate	HMDB
Testosterone heptoic acid	HMDB
Testosterone heptylate	HMDB
Testosterone oenanthate	HMDB
Testostroval	HMDB
BTG Brand OF testosterone enanthate	MeSH, HMDB
Jenapharm brand OF testosterone enanthate	MeSH, HMDB
Rotexmedica brand OF testosterone enanthate	MeSH, HMDB
Testosteron-depot jenapharm	MeSH, HMDB
Pasadena brand OF testosterone enanthate	MeSH, HMDB
Primoteston depot	MeSH, HMDB
Rugby brand OF testosterone enanthate	MeSH, HMDB
Testosteron depot-rotexmedica	MeSH, HMDB
Testosteron-depot eifelfango	MeSH, HMDB
Testrin p.a.	MeSH, HMDB
Roberts brand OF testosterone enanthate	MeSH, HMDB
eifelfango Brand OF testosterone enanthate	MeSH, HMDB
Schering brand OF testosterone enanthate	MeSH, HMDB
Theramed brand OF testosterone enanthate	MeSH, HMDB
Theramex	MeSH, HMDB

Chemical Formula

C₂₆H₄₀O₃

Average Molecular Weight

400.594

Monoisotopic Molecular Weight

400.297745146

IUPAC Name

(1S,2R,10R,11S,14S,15S)-2,15-dimethyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-14-yl heptanoate

Traditional Name

everone

CAS Registry Number

315-37-7

SMILES

[H][C@@]12CC[C@H](OC(=O)CCCCCC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C

InChI Identifier

InChI=1S/C26H40O3/c1-4-5-6-7-8-24(28)29-23-12-11-21-20-10-9-18-17-19(27)13-15-25(18,2)22(20)14-16-26(21,23)3/h17,20-23H,4-16H2,1-3H3/t20-,21-,22-,23-,25-,26-/m0/s1

InChI Key

VOCBWIIFXDYGNZ-IXKNJLPQSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as steroid esters. Steroid esters are compounds containing a steroid moiety which bears a carboxylic acid ester group.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Sub Class

Steroid esters

Direct Parent

Steroid esters

Alternative Parents

Substituents

Steroid ester
Androgen-skeleton
Androstane-skeleton
3-oxosteroid
3-oxo-delta-4-steroid
Oxosteroid
Delta-4-steroid
Cyclohexenone
Ketone
Carboxylic acid ester
Cyclic ketone
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Organooxygen compound
Carbonyl group
Organic oxide
Organic oxygen compound
Hydrocarbon derivative
Aliphatic homopolycyclic compound

Molecular Framework

Aliphatic homopolycyclic compounds

External Descriptors

sterol ester (CHEBI:9464 )
enanthate ester (CHEBI:9464 )
C19 steroids (androgens) and derivatives (C08157 )
C19 steroids (androgens) and derivatives (LMST02020075 )

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Excreta

Biofluid or Excreta

Urine (HMDB: HMDB0005814)

Tissue

Nervous tissue

Hepatic tissue (HMDB: HMDB0005814)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0005814)

Source

Exogenous

Exogenous (HMDB: HMDB0005814)

Food

Food (HMDB: HMDB0005814)

Process

Naturally occurring process

Biological process

Chemical reaction

Lipid Peroxidation (HMDB: HMDB0005814)

Biochemical pathway

Metabolic pathway

Fatty Acid Metabolism (HMDB: HMDB0005814)

Lipid metabolism pathway (HMDB: HMDB0005814)

Cellular process

Cell signaling (HMDB: HMDB0005814)

Biochemical process

Lipid transport (HMDB: HMDB0005814)

Role

Biological role

Membrane stabilizer (HMDB: HMDB0005814)

Molecular messenger

Hormone (HMDB: HMDB0005814)

Industrial application

Manufacturing industry

Material processing agent

Fluid processing agent

Surfactant

Surfactant (HMDB: HMDB0005814)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	36 - 37.5 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	0.00046 g/L	ALOGPS
logP	5.11	ALOGPS
logP	6.29	ChemAxon
logS	-5.9	ALOGPS
pKa (Strongest Acidic)	19.09	ChemAxon
pKa (Strongest Basic)	-4.8	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	43.37 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	116.61 m³·mol⁻¹	ChemAxon
Polarizability	49.2 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	200.231	31661259
DarkChem	[M-H]-	196.056	31661259
DeepCCS	[M-2H]-	235.912	30932474
DeepCCS	[M+Na]+	212.134	30932474
AllCCS	[M+H]+	206.0	32859911
AllCCS	[M+H-H2O]+	204.1	32859911
AllCCS	[M+NH4]+	207.7	32859911
AllCCS	[M+Na]+	208.2	32859911
AllCCS	[M-H]-	193.9	32859911
AllCCS	[M+Na-2H]-	195.2	32859911
AllCCS	[M+HCOO]-	196.9	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Testosterone enanthate	[H][C@@]12CC[C@H](OC(=O)CCCCCC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C	4098.5	Standard polar	33892256
Testosterone enanthate	[H][C@@]12CC[C@H](OC(=O)CCCCCC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C	3235.5	Standard non polar	33892256
Testosterone enanthate	[H][C@@]12CC[C@H](OC(=O)CCCCCC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C	3333.1	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Testosterone enanthate,1TMS,isomer #1	CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)[C@H]3CC[C@]12C	3242.8	Semi standard non polar	33892256
Testosterone enanthate,1TMS,isomer #1	CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)[C@H]3CC[C@]12C	3195.3	Standard non polar	33892256
Testosterone enanthate,1TMS,isomer #1	CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)[C@H]3CC[C@]12C	3723.4	Standard polar	33892256
Testosterone enanthate,1TBDMS,isomer #1	CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)[C@H]3CC[C@]12C	3492.8	Semi standard non polar	33892256
Testosterone enanthate,1TBDMS,isomer #1	CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)[C@H]3CC[C@]12C	3398.7	Standard non polar	33892256
Testosterone enanthate,1TBDMS,isomer #1	CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)[C@H]3CC[C@]12C	3843.8	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Testosterone enanthate GC-MS (Non-derivatized) - 70eV, Positive	splash10-00dr-3479000000-622103246e9253c3578f	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Testosterone enanthate GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Testosterone enanthate GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Testosterone enanthate 10V, Positive-QTOF	splash10-0udi-2594800000-2fe5b98ade2c6812e290	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Testosterone enanthate 20V, Positive-QTOF	splash10-022i-5592000000-689f1cdb34f31cd98d15	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Testosterone enanthate 40V, Positive-QTOF	splash10-05mo-4490000000-d66a654ef39db2b12265	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Testosterone enanthate 10V, Negative-QTOF	splash10-0002-0149000000-2bec5293e6f91f7dbff5	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Testosterone enanthate 20V, Negative-QTOF	splash10-000i-0393000000-1dfe91f6ac9835af8928	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Testosterone enanthate 40V, Negative-QTOF	splash10-0a4r-2190000000-387672165ae5773ca45b	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Testosterone enanthate 10V, Negative-QTOF	splash10-0002-0109000000-867f88cb280a910aabe9	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Testosterone enanthate 20V, Negative-QTOF	splash10-01r2-1926000000-bc6e667c95b200d2ea91	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Testosterone enanthate 40V, Negative-QTOF	splash10-0a4l-9101000000-86eb2f6d2ad8f02878cd	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Testosterone enanthate 10V, Positive-QTOF	splash10-0udi-0040900000-fe6a5cf79e52e56acc46	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Testosterone enanthate 20V, Positive-QTOF	splash10-0229-1981100000-256658d507dc1dea4517	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Testosterone enanthate 40V, Positive-QTOF	splash10-06r6-5920000000-9787c0613d8215ab200b	2021-09-25	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Extracellular
Membrane

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

DBSALT001030

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB023772

KNApSAcK ID

Not Available

Chemspider ID

9045

KEGG Compound ID

C08157

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Testosterone enanthate

METLIN ID

Not Available

PubChem Compound

9416

PDB ID

Not Available

ChEBI ID

9464

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Ulrich, Miroslav; Novacek, Alois; Stejskal, Frantisek. Testosterone enanthate. (1960), CS 95825 19600615 CAN 55:81895 AN 1961:81895

Material Safety Data Sheet (MSDS)

Not Available

General References

Jarow JP, Zirkin BR: The androgen microenvironment of the human testis and hormonal control of spermatogenesis. Ann N Y Acad Sci. 2005 Dec;1061:208-20. [PubMed:16467270 ]
Darby E, Anawalt BD: Male hypogonadism : an update on diagnosis and treatment. Treat Endocrinol. 2005;4(5):293-309. [PubMed:16185098 ]
Gooren LJ, Bunck MC: Androgen replacement therapy: present and future. Drugs. 2004;64(17):1861-91. [PubMed:15329035 ]
Rogerson S, Weatherby RP, Deakin GB, Meir RA, Coutts RA, Zhou S, Marshall-Gradisnik SM: The effect of short-term use of testosterone enanthate on muscular strength and power in healthy young men. J Strength Cond Res. 2007 May;21(2):354-61. [PubMed:17530941 ]
Giuberti A, Manganini V, Picozzi SC, Vigano P, Strada GR: Complete genital prosthetization in patients treated with bilateral orchiectomy for metachronous testicular cancer. Arch Ital Urol Androl. 2007 Mar;79(1):26-9. [PubMed:17484401 ]
Schustack A, Meshiaj D, Waiss Z, Gotloib L: Intramuscular iron replenishment and replacement combined with testosterone enanthate in maintenance hemodialysis anemia: a follow-up of up to 8 years on 16 patients. Clin Nephrol. 1985 Jun;23(6):303-6. [PubMed:4028529 ]
Schubert M, Bullmann C, Minnemann T, Reiners C, Krone W, Jockenhovel F: Osteoporosis in male hypogonadism: responses to androgen substitution differ among men with primary and secondary hypogonadism. Horm Res. 2003;60(1):21-8. [PubMed:12792150 ]

Showing metabocard for Testosterone enanthate (HMDB0005814)

MOL for HMDB0005814 (Testosterone enanthate)

3D MOL for HMDB0005814 (Testosterone enanthate)

3D SDF for HMDB0005814 (Testosterone enanthate)

3D-SDF for HMDB0005814 (Testosterone enanthate)

PDB for HMDB0005814 (Testosterone enanthate)

3D PDB for HMDB0005814 (Testosterone enanthate)

SMILES for HMDB0005814 (Testosterone enanthate)

INCHI for HMDB0005814 (Testosterone enanthate)

Structure for HMDB0005814 (Testosterone enanthate)

3D Structure for HMDB0005814 (Testosterone enanthate)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra