KEGG   COMPOUND: C05455
Entry
C05455                      Compound                               
Name
7alpha-Hydroxycholest-4-en-3-one
Formula
C27H44O2
Exact mass
400.3341
Mol weight
400.64
Structure
Reaction
R04263 R04264 R04817 R04826
Pathway
map00120  Primary bile acid biosynthesis
map01100  Metabolic pathways
Module
M00104  Bile acid biosynthesis, cholesterol => cholate/chenodeoxycholate
Enzyme
1.1.1.181       1.3.1.3         1.14.14.139
Brite
Lipids [BR:br08002]
 ST  Sterol lipids
  ST01 Sterols
   ST0101 Cholesterol and derivatives
    C05455  7alpha-Hydroxycholest-4-en-3-one
  ST04 Bile acids and derivatives
   ST0403 C27 bile acids, alcohols, and derivatives
    C05455  7alpha-Hydroxycholest-4-en-3-one
Other DBs
CAS: 3862-25-7
PubChem: 7817
ChEBI: 17899
LIPIDMAPS: LMST04030123
NIKKAJI: J602.383E
LinkDB
KCF data

ATOM        29
            1   C1y C    27.2269  -21.6075
            2   C1y C    25.9430  -22.3180
            3   C1z C    27.2334  -20.2052
            4   C1x C    29.6543  -21.6200
            5   C1y C    24.8060  -21.6200
            6   C1y C    25.9946  -23.6952
            7   C1y C    28.4469  -19.5071
            8   C1x C    26.0071  -19.5135
            9   C1a C    27.2229  -18.8218
            10  C1x C    29.6543  -20.2178
            11  C1z C    23.6050  -22.3243
            12  C1x C    24.7933  -20.2240
            13  C1x C    24.8123  -24.3995
            14  O1a O    27.1766  -24.3805
            15  C1c C    28.4531  -18.1363
            16  C2y C    23.6050  -23.7077
            17  C1x C    22.4039  -21.6389
            18  C1a C    23.6209  -20.8495
            19  C1b C    29.6353  -17.4573
            20  C1a C    27.2710  -17.4509
            21  C2x C    22.4039  -24.4056
            22  C1x C    21.2217  -22.3243
            23  C1b C    30.8175  -18.1490
            24  C5x C    21.2217  -23.7077
            25  O5x O    20.0332  -24.3869
            26  C1b C    32.0287  -17.4590
            27  C1c C    33.2471  -18.1722
            28  C1a C    34.4538  -17.4853
            29  C1a C    33.2384  -19.6000
BOND        32
            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    6  14 1 #Down
            14    7  15 1
            15   11  16 1
            16   11  17 1
            17   11  18 1 #Up
            18   15  19 1
            19   15  20 1 #Down
            20   16  21 2
            21   17  22 1
            22   19  23 1
            23   21  24 1
            24   24  25 2
            25    7  10 1
            26    8  12 1
            27   13  16 1
            28   22  24 1
            29   23  26 1
            30   26  27 1
            31   27  28 1
            32   27  29 1

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