KEGG   COMPOUND: C17333
Entry
C17333                      Compound                               
Name
3beta-Hydroxy-5-cholestenoate;
3beta-Hydroxycholest-5-en-27-oic acid
Formula
C27H44O3
Exact mass
416.3290
Mol weight
416.64
Structure
Reaction
R08726 R08727
Pathway
map00120  Primary bile acid biosynthesis
Enzyme
1.14.14.29
Brite
Lipids [BR:br08002]
 ST  Sterol lipids
  ST04 Bile acids and derivatives
   ST0403 C27 bile acids, alcohols, and derivatives
    C17333  3beta-Hydroxy-5-cholestenoate
Other DBs
CAS: 6561-58-6
PubChem: 96023695
ChEBI: 81014
NIKKAJI: J676.103H
KCF data

ATOM        30
            1   C1y C    22.8572  -26.3378
            2   C1x C    23.9689  -27.0326
            3   C2y C    25.1500  -26.3378
            4   C1z C    25.1500  -25.0175
            5   C1x C    23.9689  -24.3228
            6   C1x C    22.8572  -25.0175
            7   C2x C    26.3313  -27.0326
            8   C1x C    27.5124  -26.3378
            9   C1y C    27.5124  -25.0175
            10  C1y C    26.3313  -24.3228
            11  C1y C    28.6936  -24.3228
            12  C1z C    28.6936  -22.9331
            13  C1x C    27.5124  -22.3078
            14  C1x C    26.3313  -22.9331
            15  C1x C    31.0560  -24.3228
            16  C1x C    31.0560  -22.9331
            17  C1y C    29.8748  -22.3078
            18  C1a C    28.7631  -21.4045
            19  C1c C    29.8748  -20.9182
            20  C1b C    31.0560  -20.2234
            21  C1a C    25.1500  -23.6280
            22  C1b C    32.2604  -20.9188
            23  C1b C    33.4650  -20.2234
            24  C1c C    34.6694  -20.9188
            25  C1a C    28.8851  -19.9284
            26  C6a C    35.8614  -20.2306
            27  C1a C    34.6695  -22.3286
            28  O6a O    37.0554  -20.9202
            29  O6a O    35.8615  -18.8292
            30  O1a O    21.6653  -26.9983
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     3   7 2
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    4  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   12  18 1 #Up
            22   17  19 1
            23   19  20 1
            24    4  21 1 #Up
            25   20  22 1
            26   22  23 1
            27   23  24 1
            28   19  25 1 #Down
            29   24  26 1
            30   24  27 1
            31   26  28 1
            32   26  29 2
            33    1  30 1 #Up

» Japanese version

  All links  
Pathway (1)   
   KEGG PATHWAY (1)   
Chemical substance (4)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   NIKKAJI (1)   
Chemical reaction (3)   
   KEGG ENZYME (1)   
   KEGG REACTION (2)   
Gene (440)   
   KEGG GENES (440)   
All databases (448)   

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