KEGG   COMPOUND: C15337
Entry
C15337                      Compound                               
Name
Allocholesterol;
Coprostenol;
3beta-Hydroxycholest-4-ene;
4-Cholesten-3beta-ol
Formula
C27H46O
Exact mass
386.3549
Mol weight
386.6535
Structure
Brite
Compounds with biological roles [BR:br08001]
 Steroids
  27-Carbon atoms
   Cholestane derivatives
    C15337  Allocholesterol
Lipids [BR:br08002]
 ST  Sterol lipids
  ST01 Sterols
   ST0101 Cholesterol and derivatives
    C15337  Allocholesterol
Other DBs
CAS: 517-10-2
PubChem: 17396334
ChEBI: 79839
LIPIDMAPS: LMST01010352
NIKKAJI: J15.457A
LinkDB
KCF data

ATOM        28
            1   C1y C    26.4375  -19.6613
            2   C1y C    25.2633  -20.3389
            3   C1z C    26.4375  -18.3060
            4   C1x C    28.7859  -19.6613
            5   C1y C    24.0949  -19.6613
            6   C1x C    25.2574  -21.6942
            7   C1y C    27.6234  -17.6283
            8   C1x C    25.2633  -17.6283
            9   C1a C    26.4316  -16.9507
            10  C1x C    28.7859  -18.3060
            11  C1z C    22.9090  -20.3389
            12  C1x C    24.0949  -18.3060
            13  C1x C    24.0949  -22.3718
            14  C1c C    27.6234  -16.2730
            15  C2y C    22.9090  -21.6942
            16  C1x C    21.7407  -19.6613
            17  C1a C    22.8973  -18.9836
            18  C1b C    28.8210  -15.5837
            19  C1a C    26.4199  -15.5779
            20  C2x C    21.7407  -22.3718
            21  C1x C    20.5666  -20.3389
            22  C1b C    30.0186  -16.2788
            23  C1y C    20.5666  -21.6942
            24  C1b C    31.2161  -15.5837
            25  C1c C    32.4195  -16.2788
            26  C1a C    33.6170  -15.5894
            27  C1a C    32.4137  -17.6634
            28  O1a O    19.3618  -22.3900
BOND        31
            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 2
            18   16  21 1
            19   18  22 1
            20   20  23 1
            21   22  24 1
            22   24  25 1
            23   25  26 1
            24   25  27 1
            25    7  10 1
            26    8  12 1
            27   13  15 1
            28   21  23 1
            29    1   2 1
            30    1   3 1
            31   23  28 1 #Up

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