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: D00143
Reaction
Pathway
map00140  Steroid hormone biosynthesis
map01100  Metabolic pathways
map04913  Ovarian steroidogenesis
map04925  Aldosterone synthesis and secretion
map04927  Cortisol synthesis and secretion
map04934  Cushing's syndrome
Module
M00107  Steroid hormone biosynthesis, cholesterol => prognenolone => progesterone
M00110  C19/C18-Steroid hormone biosynthesis, pregnenolone => androstenedione => estrone
Enzyme
1.1.1.145       1.14.14.16      1.14.14.19      1.14.14.29      
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
BRITE hierarchy
Other DBs
CAS: 145-13-1
PubChem: 5056
ChEBI: 16581
ChEMBL: CHEMBL253363 CHEMBL77462
LIPIDMAPS: LMST02030088
KNApSAcK: C00047082 C00049664
PDB-CCD: PLO[PDBj]
3DMET: B04827
NIKKAJI: J11.381F
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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