KEGG   COMPOUND: C05425
Entry
C05425                      Compound                               
Name
3beta,5alpha,6beta-Cholestanetriol;
Cholestane-3beta-5alpha,6beta-triol
Formula
C27H48O3
Exact mass
420.3603
Mol weight
420.6682
Structure
Reaction
Enzyme
Brite
Lipids [BR:br08002]
 ST  Sterol lipids
  ST01 Sterols
   ST0101 Cholesterol and derivatives
    C05425  3beta,5alpha,6beta-Cholestanetriol
Other DBs
CAS: 1253-84-5
PubChem: 7789
ChEBI: 28082
LIPIDMAPS: LMST01010052
NIKKAJI: J40.579E
KCF data

ATOM        30
            1   C1y C    22.6802  -18.6082
            2   C1y C    23.8642  -19.2907
            3   C1z C    21.4905  -19.2907
            4   C1x C    22.6802  -17.2434
            5   C1y C    25.0482  -18.6082
            6   C1x C    23.8526  -20.6612
            7   C1z C    21.4905  -20.6612
            8   C1x C    20.3122  -18.6082
            9   C1a C    21.4788  -17.9259
            10  C1x C    23.8642  -16.5551
            11  C1z C    25.0482  -17.2434
            12  C1x C    27.4162  -18.6082
            13  C1y C    22.6802  -21.3437
            14  C1x C    20.3122  -21.3437
            15  O1a O    21.4555  -21.9619
            16  C1x C    19.1225  -19.2907
            17  C1y C    26.2381  -16.5551
            18  C1a C    25.0425  -15.8728
            19  C1x C    27.4162  -17.2434
            20  O1a O    22.6802  -22.7376
            21  C1y C    19.1225  -20.6612
            22  C1c C    26.2381  -15.1905
            23  O1a O    17.9326  -21.3437
            24  C1b C    27.4512  -14.4964
            25  C1a C    25.0308  -14.4906
            26  C1b C    28.6585  -15.1905
            27  C1b C    29.8659  -14.4964
            28  C1c C    31.0732  -15.1963
            29  C1a C    32.2863  -14.5023
            30  C1a C    31.0732  -16.5902
BOND        33
            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    7  14 1
            14    7  15 1 #Down
            15    8  16 1
            16   11  17 1
            17   11  18 1 #Up
            18   12  19 1
            19   13  20 1 #Up
            20   14  21 1
            21   17  22 1
            22   21  23 1 #Up
            23   22  24 1
            24   22  25 1 #Down
            25   24  26 1
            26   26  27 1
            27   27  28 1
            28   28  29 1
            29   28  30 1
            30    7  13 1
            31   10  11 1
            32   16  21 1
            33   17  19 1

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