KEGG   COMPOUND: C01176
Entry
C01176                      Compound                               
Name
17alpha-Hydroxyprogesterone;
17alpha-Hydroxy-4-pregnene-3,20-dione;
Pregn-4-ene-3,20-dione-17-ol;
17alpha-Hydroxy-progesterone
Formula
C21H30O3
Exact mass
330.2195
Mol weight
330.4611
Structure
Remark
Same as: D08052
Reaction
Pathway
map00140  Steroid hormone biosynthesis
map01100  Metabolic pathways
map04913  Ovarian steroidogenesis
map04927  Cortisol synthesis and secretion
map04934  Cushing syndrome
Module
M00109  C21-Steroid hormone biosynthesis, progesterone => cortisol/cortisone
M00977  C19-Steroid hormone biosynthesis (androgen backdoor pathway), pregnenolone => androsterone => dihydrotestosterone
Enzyme
1.1.1.145       1.1.1.149       1.3.1.22        1.14.13.54      
1.14.14.16      1.14.14.19      1.14.14.32      1.14.15.4       
5.3.3.1
Brite
Compounds with biological roles [BR:br08001]
 Hormones and transmitters
  Steroid hormones
   Progestagens
    C01176  17alpha-Hydroxyprogesterone
Lipids [BR:br08002]
 ST  Sterol lipids
  ST02 Steroids
   ST0203 C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives
    C01176  17alpha-Hydroxyprogesterone
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G03 SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
   G03D PROGESTOGENS
    G03DA Pregnen (4) derivatives
     G03DA03 Hydroxyprogesterone
      D08052  Hydroxyprogesterone (INN)
Drug groups [BR:br08330]
 Hormonal agent
  DG02004  Progesterone
   DG00467  Hydroxyprogesterone
    D08052  Hydroxyprogesterone
  DG01666  Progesterone receptor agonist
   DG00467  Hydroxyprogesterone
    D08052  Hydroxyprogesterone
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C3 (PGR)
     D08052  Hydroxyprogesterone (INN)
Other DBs
CAS: 68-96-2
PubChem: 4403
ChEBI: 17252
LIPIDMAPS: LMST02030161
PDB-CCD: 3QZ[PDBj]
3DMET: B01402
NIKKAJI: J4.862C
LinkDB
KCF data

ATOM        24
            1   C1x C    22.8200  -19.8100
            2   C5x C    22.8200  -21.1400
            3   C2x C    24.0100  -21.7700
            4   C2y C    25.1300  -21.1400
            5   C1z C    25.1300  -19.8100
            6   C1x C    24.0100  -19.1100
            7   C1x C    26.3200  -21.7700
            8   C1x C    27.5800  -21.1400
            9   C1y C    27.5800  -19.8100
            10  C1y C    26.3200  -19.1100
            11  C1y C    28.7000  -19.1100
            12  C1z C    28.7000  -17.7100
            13  C1x C    27.5800  -17.0800
            14  C1x C    26.3200  -17.7100
            15  O5x O    21.6300  -21.7700
            16  C1a C    25.1300  -18.4100
            17  C1a C    28.7000  -16.3800
            18  C1x C    31.0800  -19.1100
            19  C1x C    31.0800  -17.7100
            20  C1z C    29.8900  -17.0800
            21  C5a C    29.8900  -15.6800
            22  O5a O    28.7000  -14.9800
            23  C1a C    31.0800  -14.9800
            24  O1a O    31.0800  -16.3800
BOND        27
            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    5  16 1 #Up
            19   12  17 1 #Up
            20   11  18 1
            21   18  19 1
            22   19  20 1
            23   12  20 1
            24   20  21 1 #Up
            25   21  22 2
            26   21  23 1
            27   20  24 1 #Down

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