KEGG   COMPOUND: C04554
Entry
C04554                      Compound                               
Name
3alpha,7alpha-Dihydroxy-5beta-cholestanate;
3alpha,7alpha-Dihydroxy-5beta-cholestanoate
Formula
C27H46O4
Exact mass
434.3396
Mol weight
434.6517
Structure
Reaction
R04506 R04507 R08738 R08760
Pathway
map00120  Primary bile acid biosynthesis
map01100  Metabolic pathways
Module
M00104  Bile acid biosynthesis, cholesterol => cholate/chenodeoxycholate
Enzyme
1.2.1.3         1.14.15.15      6.2.1.7         6.2.1.28
Brite
Lipids [BR:br08002]
 ST  Sterol lipids
  ST04 Bile acids and derivatives
   ST0403 C27 bile acids, alcohols, and derivatives
    C04554  3alpha,7alpha-Dihydroxy-5beta-cholestanoic acid
Other DBs
PubChem: 7159
ChEBI: 16577 182016
LIPIDMAPS: LMST04030066
3DMET: B04947
NIKKAJI: J82.699E
KCF data

ATOM        31
            1   C1y C    26.6272  -21.3215
            2   C1y C    25.3591  -22.0266
            3   C1z C    26.6333  -19.9299
            4   C1x C    28.9658  -21.3340
            5   C1y C    24.1548  -21.3340
            6   C1y C    25.3341  -23.4495
            7   C1y C    27.7677  -19.2374
            8   C1x C    25.3466  -19.2436
            9   C1a C    26.5509  -18.5697
            10  C1x C    28.9720  -19.9424
            11  C1z C    22.9691  -22.0329
            12  C1x C    24.1423  -19.9488
            13  C1x C    24.1673  -24.0922
            14  O1a O    26.5010  -24.1484
            15  C1c C    27.7740  -17.8769
            16  C1y C    22.9691  -23.4058
            17  C1x C    21.7773  -21.3527
            18  C1a C    22.9629  -20.6726
            19  C1a C    26.6008  -17.1969
            20  C1x C    21.7773  -24.0985
            21  C1x C    20.6041  -22.0329
            22  C1y C    20.6041  -23.4058
            23  O1a O    19.4248  -24.0797
            24  C1b C    29.0024  -17.1500
            25  C1b C    30.2149  -17.8500
            26  C1b C    31.4273  -17.1500
            27  C1c C    32.6397  -17.8500
            28  C6a C    33.8522  -17.1500
            29  C1a C    32.6397  -19.2499
            30  O6a O    35.0853  -17.8622
            31  O6a O    33.8523  -15.7503
BOND        34
            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     3   9 1 #Up
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13    6  14 1 #Down
            14    7  15 1
            15   11  16 1
            16   11  17 1
            17   11  18 1 #Up
            18   15  19 1 #Down
            19   16  20 1
            20   17  21 1
            21   20  22 1
            22   22  23 1 #Down
            23    7  10 1
            24    8  12 1
            25   13  16 1
            26   21  22 1
            27   15  24 1
            28   24  25 1
            29   25  26 1
            30   26  27 1
            31   27  28 1
            32   27  29 1
            33   28  30 1
            34   28  31 2

» Japanese version

  All links  
Pathway (3)   
   KEGG PATHWAY (2)   
   KEGG MODULE (1)   
Chemical substance (8)   
   PubChem (1)   
   ChEBI (2)   
   3DMET (1)   
   HMDB (1)   
   LIPIDBANK (1)   
   LIPIDMAPS (1)   
   NIKKAJI (1)   
Chemical reaction (8)   
   KEGG ENZYME (4)   
   KEGG REACTION (4)   
Gene (17798)   
   KEGG GENES (17798)   
All databases (17817)   

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