KEGG   COMPOUND: C15568
Entry
C15568                      Compound                               
Name
7alpha,12alpha-Dihydroxy-3-oxochol-4-enoate
Formula
C24H36O5
Exact mass
404.2563
Mol weight
404.5396
Structure
Reaction
R07318
Enzyme
4.2.1.106
Brite
Lipids [BR:br08002]
 ST  Sterol lipids
  ST04 Bile acids and derivatives
   ST0401 C24 bile acids, alcohols, and derivatives
    C15568  7alpha,12alpha-Dihydroxy-3-oxochol-4-enoate
Other DBs
PubChem: 17396560
ChEBI: 49269
LIPIDMAPS: LMST04010241
NIKKAJI: J81.648E
LinkDB
KCF data

ATOM        29
            1   C1y C    25.1905  -21.5792
            2   C1y C    26.3773  -20.8985
            3   C1y C    24.0095  -20.8926
            4   C1y C    25.1730  -22.9523
            5   C1z C    26.3949  -19.5545
            6   C1x C    28.7105  -20.9276
            7   C1z C    22.8108  -21.5618
            8   C1x C    24.0268  -19.5254
            9   C1x C    23.9918  -23.6331
            10  O1a O    26.3600  -23.8073
            11  C1y C    27.5701  -18.8971
            12  C1y C    25.2079  -18.8273
            13  C1a C    26.4112  -18.4030
            14  C1x C    28.7221  -19.5837
            15  C2y C    22.8050  -22.9174
            16  C1x C    21.6413  -20.8810
            17  C1a C    22.8341  -20.1887
            18  C1c C    27.5876  -17.5356
            19  O1a O    25.1437  -17.9527
            20  C2x C    21.6180  -23.6039
            21  C1x C    20.4428  -21.5502
            22  C1b C    28.7744  -16.8664
            23  C1a C    26.6912  -16.0688
            24  C5x C    20.4253  -22.9350
            25  C1b C    29.9498  -17.5647
            26  C6a C    31.1426  -16.9014
            27  O6a O    32.3121  -17.5995
            28  O6a O    31.0845  -15.6736
            29  O5x O    19.2132  -23.6346
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     4   9 1
            9     4  10 1 #Down
            10    5  11 1
            11    5  12 1
            12    5  13 1 #Up
            13    6  14 1
            14    7  15 1
            15    7  16 1
            16    7  17 1 #Up
            17   11  18 1
            18   12  19 1 #Down
            19   15  20 2
            20   16  21 1
            21   18  22 1
            22   18  23 1 #Down
            23   20  24 1
            24   22  25 1
            25   25  26 1
            26   26  27 1
            27   26  28 2
            28    8  12 1
            29    9  15 1
            30   11  14 1
            31   21  24 1
            32   24  29 2

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