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    17.9260  -18.0619
            2   C1y C    19.1006  -17.3882
            3   C1y C    16.7571  -17.3823
            4   C5x C    17.9087  -19.4208
            5   C1z C    19.1180  -16.0580
            6   C1x C    21.4099  -17.3470
            7   C1z C    15.5707  -18.0446
            8   C1x C    16.7042  -16.0292
            9   C1x C    16.7396  -20.0946
            10  C1y C    20.2812  -15.4073
            11  C1y C    17.9432  -15.3383
            12  C1a C    19.0649  -14.7105
            13  C1x C    21.4213  -16.0869
            14  C1y C    15.5650  -19.3863
            15  C1x C    14.4133  -17.3708
            16  C1a C    15.5938  -16.6857
            17  C1c C    20.2985  -13.4362
            18  O1a O    17.9489  -13.9876
            19  C1x C    14.3902  -20.0657
            20  C1x C    13.2271  -18.0332
            21  C1b C    21.4731  -12.7739
            22  C1a C    19.0649  -12.5388
            23  C1y C    13.2098  -19.4037
            24  C1b C    22.6364  -13.4651
            25  C6a C    23.8170  -12.8085
            26  O6a O    24.9744  -13.4995
            27  O6a O    23.8288  -11.5934
            28  O5x O    19.1111  -20.1257
            29  O1a O    12.0184  -20.0915
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     5  10 1
            10    5  11 1
            11    5  12 1 #Up
            12    6  13 1
            13    7  14 1
            14    7  15 1
            15    7  16 1 #Up
            16   10  17 1
            17   11  18 1 #Down
            18   14  19 1
            19   15  20 1
            20   17  21 1
            21   17  22 1 #Down
            22   19  23 1
            23   21  24 1
            24   24  25 1
            25   25  26 1
            26   25  27 2
            27    8  11 1
            28    9  14 1
            29   10  13 1
            30   20  23 1
            31    4  28 2
            32   23  29 1 #Down

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