KEGG   COMPOUND: C18042
Entry
C18042                      Compound                               
Name
5alpha-Pregnane-3alpha,20alpha-diol;
Allopregnane-3alpha,20alpha-diol
Formula
C21H36O2
Exact mass
320.2715
Mol weight
320.5093
Structure
Reaction
Pathway
map00140  Steroid hormone biosynthesis
map01100  Metabolic pathways
Enzyme
1.1.1.149       1.1.1.213
Brite
Lipids [BR:br08002]
 ST  Sterol lipids
  ST02 Steroids
   ST0203 C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives
    C18042  5alpha-Pregnane-3alpha,20alpha-diol
Other DBs
CAS: 566-58-5
PubChem: 96024262
ChEBI: 81470
LinkDB
KCF data

ATOM        23
            1   C1x C    17.5000  -20.2300
            2   C1y C    17.5000  -21.6300
            3   C1x C    18.6900  -22.3300
            4   C1y C    19.8800  -21.6300
            5   C1z C    19.8800  -20.2300
            6   C1x C    18.6900  -19.5300
            7   C1x C    21.0700  -22.3300
            8   C1x C    22.2600  -21.6300
            9   C1y C    22.2600  -20.2300
            10  C1y C    21.0700  -19.5300
            11  C1y C    23.4500  -19.5300
            12  C1z C    23.4500  -18.2000
            13  C1x C    22.2600  -17.5000
            14  C1x C    21.0700  -18.2000
            15  C1x C    25.8300  -19.5300
            16  C1x C    25.8300  -18.2000
            17  C1y C    24.6400  -17.5000
            18  O1a O    16.3100  -22.3300
            19  C1a C    19.8800  -18.9000
            20  C1a C    23.4500  -16.8000
            21  C1c C    24.6400  -16.1000
            22  C1a C    25.6200  -15.1900
            23  O1a O    23.6600  -15.3300
BOND        26
            1     1   2 1
            2     2   3 1
            3     3   4 1
            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   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21    2  18 1 #Down
            22    5  19 1 #Up
            23   12  20 1 #Up
            24   17  21 1
            25   21  22 1
            26   21  23 1 #Up

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