KEGG   COMPOUND: C16261
Entry
C16261                      Compound                               
Name
5beta-Scymnol sulfate
Formula
C27H48O9S
Exact mass
548.3019
Mol weight
548.7296
Structure
Reaction
Enzyme
Brite
Lipids [BR:br08002]
 ST  Sterol lipids
  ST05 Steroid conjugates
   ST0502 Sulfates
    C16261  5beta-Scymnol sulfate
Other DBs
PubChem: 47205569
ChEBI: 50107
LIPIDMAPS: LMST05020017
NIKKAJI: J1.046.358K
LinkDB
KCF data

ATOM        37
            1   C1x C    20.7856  -22.9497
            2   C1y C    20.7856  -24.3118
            3   C1x C    21.9651  -24.9929
            4   C1y C    23.1448  -24.3118
            5   C1z C    23.1448  -22.9497
            6   C1x C    21.9651  -22.2687
            7   C1x C    24.3244  -24.9929
            8   C1y C    25.5039  -24.3118
            9   C1y C    25.5039  -22.9497
            10  C1y C    24.3244  -22.2687
            11  C1y C    26.6836  -22.2687
            12  C1z C    26.6836  -20.9066
            13  C1y C    25.5039  -20.2256
            14  C1x C    24.3244  -20.9066
            15  C1x C    29.0428  -22.2687
            16  C1x C    29.0428  -20.9066
            17  C1y C    27.8632  -20.2256
            18  O1a O    19.6060  -24.9929
            19  O1a O    26.6691  -24.9846
            20  O1a O    24.8229  -18.7955
            21  C1a C    23.1448  -21.5877
            22  C1c C    27.8632  -18.8635
            23  C1a C    26.5513  -17.5718
            24  C1b C    29.0467  -18.1801
            25  C1b C    30.2118  -18.8530
            26  C1c C    31.3660  -18.1866
            27  C1c C    32.5255  -18.8563
            28  C1b C    33.6825  -18.1883
            29  O1a O    31.3662  -16.8206
            30  C1a C    26.6836  -19.5445
            31  C1b C    32.5255  -20.2253
            32  O1a O    33.6856  -20.8953
            33  O2a O    34.8406  -18.8571
            34  S4a S    36.2406  -18.8571
            35  O1d O    37.6406  -18.8571
            36  O1d O    36.2406  -20.2571
            37  O1d O    36.2406  -17.4571
BOND        40
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21    2  18 1 #Down
            22    8  19 1 #Down
            23   13  20 1 #Down
            24    5  21 1 #Up
            25   17  22 1
            26   22  23 1 #Down
            27   22  24 1
            28   24  25 1
            29   25  26 1
            30   26  27 1
            31   27  28 1
            32   26  29 1 #Up
            33   12  30 1 #Up
            34   27  31 1
            35   31  32 1
            36   28  33 1
            37   33  34 1
            38   34  35 2
            39   34  36 2
            40   34  37 1

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