KEGG   COMPOUND: C01953Help
Entry
C01953                      Compound                               

Name
Pregnenolone;
5-Pregnen-3beta-ol-20-one;
3beta-Hydroxypregn-5-en-20-one
Formula
C21H32O2
Exact mass
316.2402
Mol weight
316.4776
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Reaction
Pathway
Steroid hormone biosynthesis
Metabolic pathways
Ovarian steroidogenesis
Aldosterone synthesis and secretion
Module
M00107  
Steroid hormone biosynthesis, cholesterol => prognenolone => progesterone
M00110  
C19/C18-Steroid hormone biosynthesis, pregnenolone => androstenedione => estrone
Enzyme
1.1.1.145       1.14.13.100     1.14.14.16      1.14.14.19      
1.14.15.6       2.8.2.2         2.8.2.14        3.1.6.2         
5.3.3.1
Brite
Compounds with biological roles [BR:br08001]
 Steroids
  21-Carbon atoms
   Pregnane derivatives
    C01953  Pregnenolone
 Hormones and transmitters
  Steroid hormones
   Progestagens
    C01953  Pregnenolone
Phytochemicals used as drugs [BR:br08306]
 Alkaloids
  Alkaloids derived by amination reactions
   Steroidal alkaloids
    D00143  Pregnenolone (JAN/INN)
BRITE hierarchy
Other DBs
CAS: 
145-13-1
PubChem: 
ChEBI: 
LIPIDMAPS: 
KNApSAcK: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        23
            1   C1y C    22.9049  -19.0687
            2   C1y C    24.0801  -19.7482
            3   C1z C    21.7419  -19.7542
            4   C1x C    22.8926  -17.7100
            5   C1y C    25.2613  -19.0565
            6   C1x C    24.0923  -21.1070
            7   C2y C    21.7419  -21.1007
            8   C1x C    20.5729  -19.0932
            9   C1x C    24.0739  -17.0183
            10  C1z C    25.2676  -17.6978
            11  C1x C    27.6237  -19.0687
            12  C2x C    22.9170  -21.7803
            13  C1x C    20.5729  -21.7803
            14  C1x C    19.4161  -19.7542
            15  C1y C    26.4488  -17.0123
            16  C1x C    27.6300  -17.7038
            17  C1y C    19.4161  -21.1007
            18  C5a C    26.4488  -15.6413
            19  O1a O    18.2654  -21.7619
            20  C1a C    25.2981  -14.8330
            21  O5a O    27.6056  -14.8330
            22  C1a C    21.7419  -18.3492
            23  C1a C    25.2676  -16.2928
BOND        26
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11    6  12 1
            12    7  13 1
            13    8  14 1
            14   10  15 1
            15   11  16 1
            16   13  17 1
            17   15  18 1
            18   17  19 1 #Up
            19   18  20 1
            20   18  21 2
            21    7  12 2
            22    9  10 1
            23   14  17 1
            24   15  16 1
            25    3  22 1 #Up
            26   10  23 1 #Up

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