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
Reaction
Pathway
Secondary bile acid biosynthesis
Bile secretion
Enzyme
1.17.99.5       3.1.2.26        3.5.1.24
Brite
Compounds with biological roles [BR:br08001]
 Steroids
  24-Carbon atoms
   Cholane and 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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