KEGG   COMPOUND: C04661
Entry
C04661                      Compound                               
Name
3alpha,7alpha,12beta-Trihydroxy-5beta-cholanate;
3alpha,7alpha,12beta-Trihydroxy-5beta-cholanic acid
Formula
C24H40O5
Exact mass
408.2876
Mol weight
408.5714
Structure
Reaction
R03495
Enzyme
1.1.1.238
Brite
Lipids [BR:br08002]
 ST  Sterol lipids
  ST04 Bile acids and derivatives
   ST0401 C24 bile acids, alcohols, and derivatives
    C04661  3alpha,7alpha,12beta-Trihydroxy-5beta-cholanic acid
Other DBs
PubChem: 7245
ChEBI: 36240
LIPIDMAPS: LMST04010085
3DMET: B01770
NIKKAJI: J363.682H
KCF data

ATOM        29
            1   C1y C    17.1138  -15.8699
            2   C1y C    18.3160  -15.1660
            3   C1y C    15.9116  -15.1784
            4   C1y C    17.0889  -17.2713
            5   C1z C    18.3160  -13.7831
            6   C1x C    20.7141  -15.1784
            7   C1z C    14.7281  -15.8761
            8   C1x C    15.8992  -13.7956
            9   C1x C    15.9241  -17.9379
            10  O1a O    18.2600  -17.9567
            11  C1y C    19.5244  -13.0855
            12  C1y C    17.1013  -13.0917
            13  C1a C    17.7124  -12.2820
            14  C1x C    20.7205  -13.7895
            15  C1y C    14.7281  -17.2466
            16  C1x C    13.5384  -15.1972
            17  C1a C    14.3668  -14.5680
            18  C1c C    19.5244  -11.5238
            19  O1a O    16.5364  -12.3436
            20  C1x C    13.5384  -17.9379
            21  C1x C    12.3673  -15.8761
            22  C1b C    20.7017  -10.8511
            23  C1a C    18.3533  -10.7686
            24  C1y C    12.3673  -17.2466
            25  C1b C    21.8728  -11.5301
            26  O1a O    11.1900  -17.9193
            27  C6a C    23.0500  -10.8574
            28  O6a O    24.2148  -11.5426
            29  O6a O    23.0500   -9.5693
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 1 #Down
            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 #Up
            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

» Japanese version

  All links  
Chemical substance (6)   
   PubChem (1)   
   ChEBI (1)   
   3DMET (1)   
   LIPIDBANK (1)   
   LIPIDMAPS (1)   
   NIKKAJI (1)   
Chemical reaction (2)   
   KEGG ENZYME (1)   
   KEGG REACTION (1)   
All databases (8)   

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