KEGG   COMPOUND: C15569
Entry
C15569                      Compound                               
Name
12alpha-Hydroxy-3-oxochola-4,6-dienoate
Formula
C24H34O4
Exact mass
386.2457
Mol weight
386.5244
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
    C15569  12alpha-Hydroxy-3-oxochola-4,6-dienoate
Other DBs
PubChem: 17396561
ChEBI: 49270
LIPIDMAPS: LMST04010245
NIKKAJI: J745.619K
LinkDB
KCF data

ATOM        28
            1   C1y C    25.4100  -21.9800
            2   C1y C    26.6000  -21.3500
            3   C1y C    24.2200  -21.3500
            4   C2x C    25.4100  -23.3800
            5   C1z C    26.6000  -19.9500
            6   C1x C    28.9800  -21.3500
            7   C1z C    22.9600  -21.9800
            8   C1x C    24.2200  -19.9500
            9   C2x C    24.1500  -24.0800
            10  C1y C    27.7900  -19.3200
            11  C1y C    25.4100  -19.2500
            12  C1a C    26.6000  -18.8300
            13  C1x C    28.9800  -20.0200
            14  C2y C    22.9600  -23.3800
            15  C1x C    21.7700  -21.2800
            16  C1a C    22.9600  -20.5800
            17  C1c C    27.7900  -17.9200
            18  O1a O    25.3400  -18.3400
            19  C2x C    21.7700  -24.0800
            20  C1x C    20.5800  -21.9800
            21  C1b C    28.9800  -17.2200
            22  C1a C    26.8800  -16.4500
            23  C5x C    20.5800  -23.3800
            24  C1b C    30.1700  -17.9900
            25  C6a C    31.4300  -17.2900
            26  O6a O    32.5500  -17.9900
            27  O6a O    31.4300  -16.0300
            28  O5x O    19.3200  -24.0800
BOND        31
            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 2
            9     5  10 1
            10    5  11 1
            11    5  12 1 #Up
            12    6  13 1
            13    7  14 1
            14    7  15 1
            15    7  16 1 #Up
            16   10  17 1
            17   11  18 1 #Down
            18   14  19 2
            19   15  20 1
            20   17  21 1
            21   17  22 1 #Down
            22   19  23 1
            23   21  24 1
            24   24  25 1
            25   25  26 1
            26   25  27 2
            27    8  11 1
            28    9  14 1
            29   10  13 1
            30   20  23 1
            31   23  28 2

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