KEGG   COMPOUND: C05454Help
Entry
C05454                      Compound                               

Name
3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestane;
5beta-Cholestane-3alpha,7alpha,12alpha-triol;
3alpha,7alpha,12alpha-Trihydroxycoprostane
Formula
C27H48O3
Exact mass
420.3603
Mol weight
420.6682
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Primary bile acid biosynthesis
Metabolic pathways
Module
M00104  
Bile acid biosynthesis, cholesterol => cholate/chenodeoxycholate
Enzyme
1.1.1.50        1.14.13.96      1.14.15.15
Brite
Lipids [BR:br08002]
 ST  Sterol Lipids
  ST04 Bile acids and derivatives
   ST0403 C27 bile acids, alcohols, and derivatives
    C05454  3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestane
BRITE hierarchy
Other DBs
CAS: 
547-96-6
PubChem: 
ChEBI: 
LIPIDMAPS: 
LipidBank: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        30
            1   C1y C    26.4000  -20.9268
            2   C1y C    25.2302  -21.6019
            3   C1z C    26.4000  -19.5766
            4   C1x C    28.7396  -20.9268
            5   C1y C    24.0661  -20.9268
            6   C1y C    25.2243  -22.9522
            7   C1y C    27.5815  -18.9014
            8   C1y C    25.2302  -18.9014
            9   C1a C    26.3957  -18.3669
            10  C1x C    28.7396  -19.5766
            11  C1z C    22.8847  -21.6019
            12  C1x C    24.0661  -19.5766
            13  C1x C    24.0661  -23.6272
            14  C1c C    27.5815  -16.9912
            15  C1y C    22.8847  -22.9522
            16  C1x C    21.7207  -20.9268
            17  C1a C    22.8730  -20.2517
            18  C1b C    28.7746  -16.3044
            19  C1a C    26.3825  -16.2987
            20  C1x C    21.7207  -23.6272
            21  C1x C    20.5510  -21.6019
            22  C1b C    29.9677  -16.9970
            23  C1y C    20.5510  -22.9522
            24  C1b C    31.1608  -16.3044
            25  O1a O    19.3695  -23.6272
            26  C1c C    32.3597  -16.9970
            27  C1a C    33.5527  -16.3101
            28  C1a C    32.3539  -18.3764
            29  O1a O    26.4303  -23.6483
            30  O1a O    25.2192  -17.5090
BOND        33
            1     1   4 1
            2     2   5 1
            3     2   6 1
            4     3   7 1
            5     3   8 1
            6     3   9 1 #Up
            7     4  10 1
            8     5  11 1
            9     5  12 1
            10    6  13 1
            11    7  14 1
            12   11  15 1
            13   11  16 1
            14   11  17 1 #Up
            15   14  18 1
            16   14  19 1 #Down
            17   15  20 1
            18   16  21 1
            19   18  22 1
            20   20  23 1
            21   22  24 1
            22   23  25 1 #Down
            23   24  26 1
            24   26  27 1
            25   26  28 1
            26    7  10 1
            27    8  12 1
            28   13  15 1
            29   21  23 1
            30    1   2 1
            31    6  29 1 #Down
            32    1   3 1
            33    8  30 1 #Down

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