KEGG   COMPOUND: C18043
Entry
C18043                      Compound                               
Name
Cholesterol sulfate;
Cholest-5-en-3beta-ol sulfate
Formula
C27H46O4S
Exact mass
466.3117
Mol weight
466.7167
Structure
Reaction
Pathway
map00140  Steroid hormone biosynthesis
map01100  Metabolic pathways
Enzyme
2.8.2.2         2.8.2.14        3.1.6.2
Brite
Lipids [BR:br08002]
 ST  Sterol lipids
  ST05 Steroid conjugates
   ST0502 Sulfates
    C18043  Cholesterol sulfate
Other DBs
CAS: 1256-86-6
PubChem: 96024263
ChEBI: 41321
LIPIDMAPS: LMST05020016
PDB-CCD: C3S[PDBj]
NIKKAJI: J324.075D
KCF data

ATOM        32
            1   C1x C    16.4427  -19.7316
            2   C1y C    16.4427  -21.0611
            3   C1x C    17.6322  -21.7608
            4   C2y C    18.8217  -21.0611
            5   C1z C    18.8217  -19.7316
            6   C1x C    17.6322  -19.0319
            7   C2x C    20.0112  -21.7608
            8   C1x C    21.2007  -21.0611
            9   C1y C    21.2007  -19.7316
            10  C1y C    20.0112  -19.0319
            11  C1y C    22.3902  -19.0319
            12  C1z C    22.3902  -17.6325
            13  C1x C    21.2007  -16.9328
            14  C1x C    20.0112  -17.6325
            15  O2a O    15.2532  -21.7608
            16  C1a C    18.8217  -18.3322
            17  S4a S    13.8538  -21.7608
            18  O1d O    13.8538  -20.3613
            19  O1d O    12.5020  -21.7485
            20  O1d O    13.8538  -23.1602
            21  C1x C    24.8151  -19.0319
            22  C1x C    24.8151  -17.6325
            23  C1y C    23.6026  -16.9325
            24  C1a C    22.3902  -16.2325
            25  C1c C    23.6026  -15.5325
            26  C1a C    22.3902  -14.8325
            27  C1b C    24.8024  -14.8400
            28  C1b C    26.0149  -15.5400
            29  C1b C    27.2273  -14.8400
            30  C1c C    28.4397  -15.5400
            31  C1a C    29.6522  -14.8400
            32  C1a C    28.4397  -16.9400
BOND        35
            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 2
            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    2  15 1 #Up
            18    5  16 1 #Up
            19   15  17 1
            20   17  18 1
            21   17  19 2
            22   17  20 2
            23   11  21 1
            24   21  22 1
            25   22  23 1
            26   12  23 1
            27   12  24 1 #Up
            28   23  25 1
            29   25  26 1 #Down
            30   25  27 1
            31   27  28 1
            32   28  29 1
            33   29  30 1
            34   30  31 1
            35   30  32 1

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