KEGG   COMPOUND: C04643Help
Entry
C04643                      Compound                               
Name
3alpha,12alpha-Dihydroxy-7-oxo-5beta-cholanate
Formula
C24H38O5
Exact mass
406.2719
Mol weight
406.5555
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Enzyme
Brite
Lipids [BR:br08002]
 ST  Sterol Lipids
  ST04 Bile acids and derivatives
   ST0401 C24 bile acids, alcohols, and derivatives
    C04643  3alpha,12alpha-Dihydroxy-7-oxo-5beta-cholanic acid
BRITE hierarchy
Other DBs
PubChem: 
ChEBI: 
LipidBank: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        29
            1   C1y C    17.3938  -18.9499
            2   C1y C    18.5960  -18.2460
            3   C1y C    16.1916  -18.2584
            4   C5x C    17.3689  -20.3513
            5   C1z C    18.5960  -16.8631
            6   C1x C    20.9941  -18.2584
            7   C1z C    15.0081  -18.9561
            8   C1x C    16.1792  -16.8756
            9   C1x C    16.2041  -21.0179
            10  O5x O    18.5400  -21.0367
            11  C1y C    19.8044  -16.1655
            12  C1y C    17.3813  -16.1717
            13  C1a C    18.6224  -15.3620
            14  C1x C    21.0005  -16.8695
            15  C1y C    15.0081  -20.3266
            16  C1x C    13.8184  -18.2772
            17  C1a C    14.9968  -17.4380
            18  C1c C    19.8044  -14.8138
            19  O1a O    16.0464  -15.4936
            20  C1x C    13.8184  -21.0179
            21  C1x C    12.6473  -18.9561
            22  C1b C    20.9817  -14.1411
            23  C1a C    18.6333  -14.1286
            24  C1y C    12.6473  -20.3266
            25  C1b C    22.1528  -14.8201
            26  O1a O    11.4700  -20.9993
            27  C6a C    23.3300  -14.1474
            28  O6a O    24.4948  -14.8326
            29  O6a O    23.3300  -12.7893
BOND        32
            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     4  10 2
            10    5  11 1
            11    5  12 1
            12    5  13 1 #Up
            13    6  14 1
            14    7  15 1
            15    7  16 1
            16    7  17 1 #Up
            17   11  18 1 #Up
            18   12  19 1 #Down
            19   15  20 1
            20   16  21 1
            21   18  22 1
            22   18  23 1
            23   20  24 1
            24   22  25 1
            25   24  26 1 #Down
            26   25  27 1
            27   27  28 1
            28   27  29 2
            29    8  12 1
            30    9  15 1
            31   11  14 1
            32   21  24 1

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