KEGG   COMPOUND: C17331
Entry
C17331                      Compound                               
Name
7alpha,24-Dihydroxy-4-cholesten-3-one
Formula
C27H44O3
Exact mass
416.329
Mol weight
416.6365
Structure
Reaction
R08721
Pathway
map00120  Primary bile acid biosynthesis
Enzyme
1.1.1.181
Brite
Lipids [BR:br08002]
 ST  Sterol lipids
  ST04 Bile acids and derivatives
   ST0403 C27 bile acids, alcohols, and derivatives
    C17331  7alpha,24-Dihydroxy-4-cholesten-3-one
Other DBs
PubChem: 96023693
ChEBI: 171686 48701
LIPIDMAPS: LMST04030170
NIKKAJI: J2.806.270B
LinkDB
KCF data

ATOM        30
            1   C1y C    26.3956  -21.9491
            2   C1y C    25.1969  -22.6541
            3   C1z C    26.3956  -20.6092
            4   C1x C    28.7931  -21.9491
            5   C1y C    23.9981  -21.9491
            6   C1y C    25.1969  -23.9940
            7   C1y C    27.5943  -19.9745
            8   C1x C    25.1969  -19.9745
            9   C1a C    26.3956  -19.2693
            10  C1x C    28.7931  -20.6092
            11  C1z C    22.8698  -22.6541
            12  C1x C    23.9981  -20.6092
            13  C1x C    23.9981  -24.6286
            14  C1c C    27.5943  -18.5642
            15  C2y C    22.8698  -23.9940
            16  C1x C    21.7416  -21.9491
            17  C1a C    22.8698  -21.3143
            18  C1b C    28.7931  -17.8591
            19  C1a C    26.3956  -17.8591
            20  C2x C    21.7416  -24.6286
            21  C1x C    20.5428  -22.6541
            22  C1b C    29.9919  -18.5642
            23  C5x C    20.5428  -23.9940
            24  C1c C    31.1907  -17.8591
            25  C1c C    32.4600  -18.5642
            26  C1a C    33.5882  -17.8591
            27  C1a C    32.4600  -19.9745
            28  O1a O    26.3956  -24.6991
            29  O5x O    19.3138  -24.7334
            30  O1a O    31.2433  -16.4521
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   11  15 1
            15   11  16 1
            16   11  17 1 #Up
            17   14  18 1
            18   14  19 1 #Down
            19   15  20 2
            20   16  21 1
            21   18  22 1
            22   20  23 1
            23   22  24 1
            24   24  25 1
            25   25  26 1
            26   25  27 1
            27    7  10 1
            28    8  12 1
            29   13  15 1
            30   21  23 1
            31    6  28 1 #Down
            32   23  29 2
            33   24  30 1

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