KEGG   COMPOUND: C18041
Entry
C18041                      Compound                               
Name
5alpha-Pregnan-20alpha-ol-3-one;
Allopregnan-20alpha-ol-3-one
Formula
C21H34O2
Exact mass
318.2559
Mol weight
318.4935
Structure
Reaction
Pathway
map00140  Steroid hormone biosynthesis
map01100  Metabolic pathways
Enzyme
1.1.1.149       1.1.1.213
Other DBs
CAS: 516-59-6
PubChem: 96024261
ChEBI: 81469
LinkDB
KCF data

ATOM        23
            1   C1x C     8.6100  -19.7400
            2   C5x C     8.6100  -21.1400
            3   C1x C     9.8224  -21.8400
            4   C1y C    11.0349  -21.1400
            5   C1z C    11.0349  -19.7400
            6   C1x C     9.8224  -19.0400
            7   C1x C    12.2473  -21.8400
            8   C1x C    13.4597  -21.1400
            9   C1y C    13.4597  -19.7400
            10  C1y C    12.2473  -19.0400
            11  C1y C    14.6722  -19.0400
            12  C1z C    14.6722  -17.6400
            13  C1x C    13.4597  -16.9400
            14  C1x C    12.2473  -17.6400
            15  C1x C    17.0970  -19.0400
            16  C1x C    17.0970  -17.6400
            17  C1y C    15.8846  -16.9400
            18  O5x O     7.3976  -21.8400
            19  C1a C    11.0349  -18.3400
            20  C1a C    14.6722  -16.2400
            21  C1c C    15.8846  -15.5400
            22  C1a C    16.8746  -14.5501
            23  O1a O    14.8758  -14.7261
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 2
            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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