KEGG   COMPOUND: C04483Help
Entry
C04483                      Compound                               

Name
Deoxycholic acid;
Deoxycholate;
3alpha,12alpha-Dihydroxy-5beta-cholanate;
3alpha,12alpha-Dihydroxy-5beta-cholanic acid
Formula
C24H40O4
Exact mass
392.2927
Mol weight
392.572
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Reaction
Pathway
Secondary bile acid biosynthesis
Bile secretion
Enzyme
1.17.98.1       3.1.2.26        3.5.1.24
Brite
Compounds with biological roles [BR:br08001]
 Steroids
  24-Carbon atoms
   Cholane derivatives
    C04483  Deoxycholic acid
Lipids [BR:br08002]
 ST  Sterol Lipids
  ST04 Bile acids and derivatives
   ST0401 C24 bile acids, alcohols, and derivatives
    C04483  3alpha,12alpha-Dihydroxy-5beta-cholanic acid
BRITE hierarchy
Other DBs
CAS: 
83-44-3
PubChem: 
ChEBI: 
LIPIDMAPS: 
LipidBank: 
KNApSAcK: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        28
            1   C1y C    25.8827  -22.3175
            2   C1y C    27.1010  -21.6874
            3   C1y C    24.6825  -21.6223
            4   C1x C    25.8827  -23.7081
            5   C1z C    27.1190  -20.2436
            6   C1x C    29.4662  -21.7160
            7   C1z C    23.4581  -22.3175
            8   C1x C    24.6825  -20.2257
            9   C1x C    24.6825  -24.3975
            10  C1y C    28.3135  -19.5839
            11  C1y C    25.8827  -19.5363
            12  C1a C    27.0583  -18.9288
            13  C1x C    29.4781  -20.2793
            14  C1y C    23.4462  -23.6904
            15  C1x C    22.2636  -21.6223
            16  C1a C    23.4581  -20.9150
            17  C1c C    28.2673  -17.7793
            18  O1a O    25.9338  -18.2229
            19  C1x C    22.2459  -24.3798
            20  C1x C    20.9695  -22.3175
            21  C1b C    29.5436  -17.1018
            22  C1a C    27.1309  -16.7629
            23  C1y C    21.0216  -23.6904
            24  C1b C    30.7321  -17.8149
            25  O1a O    19.7975  -24.3798
            26  C6a C    31.9445  -17.1373
            27  O6a O    33.1329  -17.8504
            28  O6a O    31.8923  -15.7528
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     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   23  25 1 #Down
            25   24  26 1
            26   26  27 1
            27   26  28 2
            28    8  11 1
            29    9  14 1
            30   10  13 1
            31   20  23 1

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