KEGG   COMPOUND: C03990Help
Entry
C03990                      Compound                               

Name
Lithocholic acid;
Lithocholate;
3alpha-Hydroxy-5beta-cholanate;
3alpha-Hydroxy-5beta-cholanic acid
Formula
C24H40O3
Exact mass
376.2977
Mol weight
376.5726
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Secondary bile acid biosynthesis
Bile secretion
Enzyme
1.1.1.52        1.14.13.94      1.14.13.97      1.17.99.5
Brite
Compounds with biological roles [BR:br08001]
 Steroids
  24-Carbon atoms
   Cholane and derivatives
    C03990  Lithocholic acid
Lipids [BR:br08002]
 ST  Sterol Lipids
  ST04 Bile acids and derivatives
   ST0401 C24 bile acids, alcohols, and derivatives
    C03990  3alpha-Hydroxy-5beta-cholanic acid
BRITE hierarchy
Other DBs
CAS: 
434-13-9
PubChem: 
ChEBI: 
LIPIDMAPS: 
LipidBank: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        27
            1   C1y C    22.1606  -21.1396
            2   C1y C    20.9478  -21.8276
            3   C1z C    22.1837  -19.7404
            4   C1y C    19.7468  -21.1222
            5   C1x C    20.9478  -23.2385
            6   C1x C    20.9711  -19.0059
            7   C1z C    18.5224  -21.8276
            8   C1x C    19.7585  -19.7172
            9   C1x C    19.7468  -23.9382
            10  C1y C    18.5224  -23.2385
            11  C1x C    17.3039  -21.1222
            12  C1a C    18.5224  -20.4343
            13  C1x C    17.3039  -23.9382
            14  C1x C    16.1087  -21.8276
            15  C1y C    16.1087  -23.2385
            16  O1a O    14.8844  -23.9615
            17  C1x C    24.6551  -21.1096
            18  C1x C    24.6082  -19.7804
            19  C1y C    23.4075  -19.0605
            20  C1a C    22.1837  -18.3404
            21  C1c C    23.4075  -17.6605
            22  C1b C    24.6077  -16.9672
            23  C1a C    22.1654  -16.9437
            24  C1b C    25.8321  -17.6742
            25  C6a C    27.0576  -16.9670
            26  O6a O    28.2817  -17.6747
            27  O6a O    27.0576  -15.5404
BOND        30
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     4   8 1
            8     5   9 1
            9     7  10 1
            10    7  11 1
            11    7  12 1 #Up
            12   10  13 1
            13   11  14 1
            14   13  15 1
            15   15  16 1 #Down
            16    6   8 1
            17    9  10 1
            18   14  15 1
            19    1  17 1
            20   17  18 1
            21   18  19 1
            22    3  19 1
            23    3  20 1 #Up
            24   19  21 1
            25   21  22 1
            26   21  23 1 #Down
            27   22  24 1
            28   24  25 1
            29   25  26 1
            30   25  27 2

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