KEGG   COMPOUND: C00599
Entry
C00599                      Compound                               

Name
Cholest-4-en-3-one;
Cholestenone;
4-Cholesten-3-one
Formula
C27H44O
Exact mass
384.3392
Mol weight
384.6377
Structure
Reaction
Pathway
map00984  Steroid degradation
map01120  Microbial metabolism in diverse environments
Enzyme
1.1.1.145       1.1.3.6         1.3.1.3         1.3.1.22        
1.14.15.28      1.14.15.29      5.3.3.1
Other DBs
CAS: 601-57-0
PubChem: 3875
ChEBI: 16175
ChEMBL: CHEMBL63243
LIPIDMAPS: LMST01010015
LipidBank: SST9045
KNApSAcK: C00036093
PDB-CCD: K2B[PDBj]
3DMET: B01291
NIKKAJI: J73F
KCF data

ATOM        28
            1   C1x C    12.7291  -17.5145
            2   C5x C    12.7291  -18.8876
            3   C2x C    13.9181  -19.5741
            4   C2y C    15.1073  -18.8876
            5   C1z C    15.1073  -17.5145
            6   C1x C    13.9181  -16.8280
            7   C1x C    16.2964  -19.5741
            8   C1x C    17.4854  -18.8876
            9   C1y C    17.4854  -17.5145
            10  C1y C    16.2964  -16.8280
            11  C1y C    18.6746  -16.8280
            12  C1z C    18.6746  -15.4549
            13  C1x C    17.4854  -14.7684
            14  C1x C    16.2964  -15.4549
            15  O5x O    11.5400  -19.5741
            16  C1x C    21.0528  -16.8280
            17  C1x C    21.0528  -15.4549
            18  C1y C    19.8637  -14.7684
            19  C1c C    19.8637  -13.3954
            20  C1b C    21.0568  -12.7066
            21  C1b C    22.2312  -13.3848
            22  C1b C    23.3947  -12.7130
            23  C1c C    24.5636  -13.3881
            24  C1a C    25.7299  -12.7148
            25  C1a C    24.5636  -14.7681
            26  C1a C    18.6785  -12.7111
            27  C1a C    15.1073  -16.1415
            28  C1a C    18.6746  -14.0819
BOND        31
            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   11  16 1
            19   16  17 1
            20   18  17 1
            21   12  18 1
            22   18  19 1
            23   19  20 1
            24   20  21 1
            25   21  22 1
            26   22  23 1
            27   23  24 1
            28   23  25 1
            29   19  26 1 #Down
            30    5  27 1 #Up
            31   12  28 1 #Up

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