KEGG   COMPOUND: C11136Help
Entry
C11136                      Compound                               

Name
Etiocholan-3alpha-ol-17-one 3-glucuronide
Formula
C25H38O8
Exact mass
466.2567
Mol weight
466.5644
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Steroid hormone biosynthesis
Enzyme
Brite
Lipids [BR:br08002]
 ST  Sterol Lipids
  ST05 Steroid conjugates
   ST0501 Glucuronides
    C11136  Etiocholan-3alpha-ol-17-one 3-glucuronide
BRITE hierarchy
Other DBs
CAS: 
3602-09-3
PubChem: 
ChEBI: 
LIPIDMAPS: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        33
            1   C1y C    20.9867  -22.2219
            2   C1y C    20.9867  -23.6215
            3   C1y C    22.2017  -24.3213
            4   C1y C    23.4097  -23.6215
            5   C1y C    23.4097  -22.2219
            6   O2x O    22.2017  -21.5221
            7   C1y C    30.8535  -19.4053
            8   C1y C    29.6313  -18.6941
            9   C1y C    32.1179  -18.7138
            10  C1x C    30.8386  -20.8618
            11  C1z C    28.3342  -19.3948
            12  C1x C    29.6417  -17.2633
            13  C1z C    32.1541  -17.2830
            14  C1x C    29.6103  -21.5602
            15  C1y C    28.3786  -20.8151
            16  C1x C    27.1503  -18.6717
            17  C1a C    28.3446  -17.9548
            18  C1x C    30.8956  -16.5553
            19  C1x C    27.1130  -21.5394
            20  C1x C    25.8905  -19.3738
            21  C1y C    25.8905  -20.8316
            22  O2a O    24.6262  -21.5346
            23  O1a O    22.2036  -25.7210
            24  C6a C    19.7750  -21.5214
            25  O1a O    24.6223  -24.3205
            26  O1a O    19.7750  -24.3220
            27  O6a O    19.7757  -20.1218
            28  O6a O    18.5625  -22.2207
            29  C1x C    34.5420  -18.7050
            30  C1x C    34.5082  -17.3442
            31  C5x C    33.3838  -16.6138
            32  O5x O    33.3690  -15.1909
            33  C1a C    32.1541  -15.8830
BOND        37
            1     3   4 1
            2     7   8 1
            3     7   9 1
            4     7  10 1
            5     8  11 1
            6     8  12 1
            7     9  13 1
            8    10  14 1
            9    11  15 1
            10   11  16 1
            11   11  17 1 #Up
            12   12  18 1
            13   15  19 1
            14   16  20 1
            15   19  21 1
            16   21  22 1 #Down
            17   13  18 1
            18   14  15 1
            19   20  21 1
            20    5  22 1 #Up
            21    4   5 1
            22    3  23 1 #Up
            23    5   6 1
            24    1  24 1 #Up
            25    6   1 1
            26    4  25 1 #Down
            27    2  26 1 #Down
            28    1   2 1
            29   24  27 2
            30    2   3 1
            31   24  28 1
            32    9  29 1
            33   29  30 1
            34   30  31 1
            35   13  31 1
            36   31  32 2
            37   13  33 1 #Up

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