KEGG   COMPOUND: C03091
Entry
C03091                      Compound                               

Name
5beta-Cholestan-3-one;
Coprostan-3-one
Formula
C27H46O
Exact mass
386.3549
Mol weight
386.6535
Structure
Reaction
Enzyme
Other DBs
CAS: 601-53-6
PubChem: 5989
ChEBI: 16074
ChEMBL: CHEMBL69851
LIPIDMAPS: LMST01010205
NIKKAJI: J39.845D
KCF data

ATOM        28
            1   C1y C    18.4039  -15.4737
            2   C1y C    17.2065  -16.1746
            3   C1z C    18.4100  -14.0903
            4   C1x C    20.7984  -15.4798
            5   C1y C    16.0156  -15.4861
            6   C1x C    17.2313  -17.5890
            7   C1y C    19.6073  -13.4016
            8   C1x C    17.2004  -13.4079
            9   C1a C    18.4367  -12.6202
            10  C1x C    20.8047  -14.1027
            11  C1z C    14.8369  -16.1809
            12  C1x C    16.0032  -14.1027
            13  C1x C    16.0280  -18.2280
            14  C1c C    19.6136  -12.0493
            15  C1y C    14.8369  -17.5456
            16  C1x C    13.6521  -15.5047
            17  C1a C    14.8263  -14.8284
            18  C1b C    20.7860  -11.3794
            19  C1a C    18.0157  -11.2748
            20  C1x C    13.6521  -18.2343
            21  C1x C    12.4858  -16.1809
            22  C1b C    21.9523  -12.0618
            23  C5x C    12.4858  -17.5456
            24  C1b C    23.1247  -11.3918
            25  O5x O    11.3134  -18.2156
            26  C1c C    24.2909  -12.0681
            27  C1a C    25.4572  -11.3979
            28  C1a C    24.2846  -13.4141
BOND        31
            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     3   9 1 #Up
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13    7  14 1
            14   11  15 1
            15   11  16 1
            16   11  17 1 #Up
            17   14  18 1
            18   14  19 1 #Down
            19   15  20 1
            20   16  21 1
            21   18  22 1
            22   20  23 1
            23   22  24 1
            24   23  25 2
            25   24  26 1
            26   26  27 1
            27   26  28 1
            28    7  10 1
            29    8  12 1
            30   13  15 1
            31   21  23 1

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