KEGG   COMPOUND: C01292Help
Entry
C01292                      Compound                               

Name
3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate
Formula
C24H38O5
Exact mass
406.2719
Mol weight
406.5555
Structure
Mol fileKCF fileDB search
Reaction
Enzyme
1.1.1.176       1.1.1.238
Brite
Lipids [BR:br08002]
 ST  Sterol lipids
  ST04 Bile acids and derivatives
   ST0401 C24 bile acids, alcohols, and derivatives
    C01292  3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanic acid
BRITE hierarchy
Other DBs
PubChem: 4511
ChEBI: 16312
LipidBank: BBA0176
3DMET: B04790
NIKKAJI: J216.097H
KCF data Show

ATOM        29
            1   C1y C    27.8096  -19.7542
            2   C1y C    29.0167  -19.0538
            3   C1y C    26.6089  -19.0663
            4   C1y C    27.8221  -21.1426
            5   C1z C    29.0229  -17.6594
            6   C1x C    31.4305  -19.0602
            7   C1z C    25.4146  -19.7667
            8   C1x C    26.5965  -17.6719
            9   C1x C    26.6153  -21.8306
            10  O1a O    28.9979  -21.8242
            11  C1y C    30.2299  -16.9652
            12  C5x C    27.8035  -16.9714
            13  C1a C    29.0167  -16.3667
            14  C1x C    31.4305  -17.6656
            15  C1y C    25.4146  -21.1426
            16  C1x C    24.2265  -19.0852
            17  C1a C    25.3834  -18.4597
            18  C1c C    30.2360  -15.6020
            19  O5x O    27.7910  -15.8909
            20  C1x C    24.2265  -21.8367
            21  C1x C    23.0444  -19.7667
            22  C1b C    31.4117  -14.9266
            23  C1a C    29.0642  -14.6012
            24  C1y C    23.0444  -21.1426
            25  C1b C    32.5874  -15.6082
            26  O1a O    21.8626  -21.8117
            27  C6a C    33.7693  -14.9328
            28  O6a O    34.9450  -15.6207
            29  O6a O    33.7693  -13.7171
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
            13    6  14 1
            14    7  15 1
            15    7  16 1
            16    7  17 1
            17   11  18 1
            18   12  19 2
            19   15  20 1
            20   16  21 1
            21   18  22 1
            22   18  23 1
            23   20  24 1
            24   22  25 1
            25   24  26 1 #Down
            26   25  27 1
            27   27  28 1
            28   27  29 2
            29    8  12 1
            30    9  15 1
            31   11  14 1
            32   21  24 1

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