KEGG   COMPOUND: C00535Help
Entry
C00535                      Compound                               

Name
Testosterone;
17beta-Hydroxy-4-androsten-3-one
Formula
C19H28O2
Exact mass
288.2089
Mol weight
288.4244
Structure
Mol fileKCF fileDB search
Remark
Same as: D00075
Reaction
Pathway
map00140  Steroid hormone biosynthesis
map00984  Steroid degradation
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
map01522  Endocrine resistance
map04913  Ovarian steroidogenesis
map05200  Pathways in cancer
map05215  Prostate cancer
map07226  Progesterone, androgen and estrogen receptor agonists/antagonists
Enzyme
1.1.1.51        1.1.1.64        1.1.1.145       1.1.1.239       
1.3.1.3         1.3.1.22        1.14.14.1       1.14.14.14      
1.14.15.19      2.4.1.17        5.3.3.1
Brite
Compounds with biological roles [BR:br08001]
 Steroids
  19-Carbon atoms
   Androstane derivatives
    C00535  Testosterone
 Hormones and transmitters
  Steroid hormones
   Androgens
    C00535  Testosterone
Lipids [BR:br08002]
 ST  Sterol Lipids
  ST02 Steroids
   ST0202 C19 steroids (androgens) and derivatives
    C00535  17beta-Hydroxy-4-androsten-3-one
Phytochemical compounds [BR:br08003]
 Terpenoids
  Steroids
   Androstane
    C00535  Testosterone
Target-based classification of compounds [BR:br08010]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    androgen receptor
     C00535  Testosterone
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
      D00075  Testosterone (JAN/USP) <US>
USP drug classification [BR:br08302]
 Hormonal Agents, Stimulant/Replacement/Modifying (Sex Hormones/Modifiers)
  Androgens
   Testosterone
    D00075  Testosterone (JAN/USP)
Classification of Japanese OTC drugs [BR:br08313]
 Agents for  urogenital organs and anus
  31 Other drugs for  urogenital organs and anus
   D00075  Testosterone (JAN/USP)
 Agents for integumentary system
  61 Other agents for integumentary system
   D00075  Testosterone (JAN/USP)
Risk category of Japanese OTC drugs [BR:br08312]
 First-class OTC drugs
  Inorganic and organic chemicals
   Testosterone
    D00075  Testosterone (JAN/USP)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C4 (AR)
     D00075  Testosterone (JAN/USP) <US>
Drug classes of therapeutic agents [br08360.html]
 Endocrine and hormonal agents
  D00075
BRITE hierarchy
Other DBs
CAS: 58-22-0
PubChem: 3817
ChEBI: 17347
ChEMBL: CHEMBL386630 CHEMBL67934
LIPIDMAPS: LMST02020002
KNApSAcK: C00003675
PDB-CCD: TES[PDBj]
3DMET: B01283
NIKKAJI: J4.590J
KCF data Show

ATOM        21
            1   C1x C    28.4900  -18.2000
            2   C5x C    28.4900  -19.6000
            3   C2x C    29.6800  -20.2300
            4   C2y C    30.8700  -19.6000
            5   C1z C    30.8700  -18.2000
            6   C1x C    29.6800  -17.5000
            7   C1x C    32.0600  -20.2300
            8   C1x C    33.1800  -19.6000
            9   C1y C    33.1800  -18.2000
            10  C1y C    32.0600  -17.5000
            11  C1y C    34.4400  -17.5000
            12  C1z C    34.4400  -16.1700
            13  C1x C    33.1800  -15.4700
            14  C1x C    32.0600  -16.1700
            15  O5x O    27.3700  -20.2300
            16  C1a C    34.4400  -14.8400
            17  C1a C    30.8700  -16.8700
            18  C1x C    36.8200  -17.5000
            19  C1x C    36.8200  -16.1700
            20  C1y C    35.6300  -15.4700
            21  O1a O    35.6300  -14.1400
BOND        24
            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    2  15 2
            18   12  16 1 #Up
            19    5  17 1 #Up
            20   11  18 1
            21   18  19 1
            22   19  20 1
            23   12  20 1
            24   20  21 1 #Up

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