KEGG   COMPOUND: C05445
Entry
C05445                      Compound                               
Name
3alpha,7alpha-Dihydroxy-5beta-cholestan-26-al
Formula
C27H46O3
Exact mass
418.3447
Mol weight
418.6523
Structure
Reaction
R04506 R04805 R08758 R08760
Pathway
map00120  Primary bile acid biosynthesis
map01100  Metabolic pathways
Module
M00104  Bile acid biosynthesis, cholesterol => cholate/chenodeoxycholate
Enzyme
1.1.1.1         1.2.1.3         1.14.15.15
Brite
Lipids [BR:br08002]
 ST  Sterol lipids
  ST04 Bile acids and derivatives
   ST0403 C27 bile acids, alcohols, and derivatives
    C05445  3alpha,7alpha-Dihydroxy-5beta-cholestan-26-al
Other DBs
PubChem: 7807
ChEBI: 27428
LIPIDMAPS: LMST04030162
3DMET: B05025
NIKKAJI: J2.755.883F
KCF data

ATOM        30
            1   C1x C    21.4677  -21.2964
            2   C1y C    21.4677  -22.6705
            3   C1x C    22.6577  -23.3575
            4   C1y C    23.8477  -22.6705
            5   C1z C    23.8477  -21.2964
            6   C1x C    22.6577  -20.6094
            7   C1x C    25.0376  -23.3575
            8   C1y C    26.2275  -22.6705
            9   C1y C    26.2275  -21.2964
            10  C1y C    25.0376  -20.6094
            11  C1y C    27.4176  -20.6094
            12  C1z C    27.4176  -19.2353
            13  C1x C    26.2275  -18.5483
            14  C1x C    25.0376  -19.2353
            15  C1x C    29.7974  -20.6094
            16  C1x C    29.7974  -19.2353
            17  C1y C    28.6075  -18.5483
            18  C1c C    28.6075  -17.1743
            19  C1b C    29.8027  -16.4872
            20  C1b C    30.9928  -17.1743
            21  C1b C    32.1827  -16.4872
            22  C1c C    33.3726  -17.1743
            23  C4a C    34.5626  -16.4872
            24  C1a C    33.3726  -18.5482
            25  C1a C    27.4222  -16.4884
            26  C1a C    27.4176  -17.8613
            27  C1a C    23.8477  -19.9224
            28  O1a O    20.2778  -23.3575
            29  O1a O    27.4030  -23.3491
            30  O4a O    35.8024  -17.2025
BOND        33
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21   17  18 1
            22   18  19 1
            23   19  20 1
            24   20  21 1
            25   21  22 1
            26   22  23 1
            27   22  24 1
            28   18  25 1 #Down
            29   12  26 1 #Up
            30    5  27 1 #Up
            31    2  28 1 #Down
            32    8  29 1 #Down
            33   23  30 2

» Japanese version

  All links  
Pathway (3)   
   KEGG PATHWAY (2)   
   KEGG MODULE (1)   
Chemical substance (6)   
   PubChem (1)   
   ChEBI (1)   
   3DMET (1)   
   HMDB (1)   
   LIPIDMAPS (1)   
   NIKKAJI (1)   
Chemical reaction (7)   
   KEGG ENZYME (3)   
   KEGG REACTION (4)   
Gene (20525)   
   KEGG GENES (20525)   
All databases (20541)   

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