KEGG   COMPOUND: C06127Help
Entry
C06127                      Compound                               

Name
Digalactosylceramidesulfate
Formula
C31H56NO16SR
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Comment
Type: generic compound in reaction hierarchy
Reaction
Pathway
Sphingolipid metabolism
Enzyme
Brite
Lipids [BR:br08002]
 SP  Sphingolipids
  SP06 Acidic glycosphingolipids
   SP0602 Sulfoglycosphingolipids (sulfatides)
    C06127  Digalactosylceramidesulfate
BRITE hierarchy
Other DBs
PubChem: 
LIPIDMAPS: 
KCF data Show

ATOM        50
            1   C1c C    20.8202   -8.0365
            2   C1c C    22.0081   -8.7352
            3   N1b N    20.7503   -6.6390
            4   C1b C    19.5625   -8.7352
            5   C2b C    23.1959   -8.0365
            6   O1a O    22.0081  -10.1327
            7   C5a C    22.0081   -5.9402
            8   O2a O    18.3746   -8.0365
            9   C2b C    24.4537   -8.6653
            10  O5a O    21.9382   -4.5427
            11  R   R    23.1959   -6.6390
            12  C1b C    25.6416   -7.9666
            13  C1b C    26.8993   -8.6653
            14  C1b C    28.0872   -7.9666
            15  C1b C    29.3449   -8.6653
            16  C1b C    30.5328   -7.9666
            17  C1b C    31.7206   -8.5954
            18  C1b C    32.9784   -7.8967
            19  C1b C    34.1662   -8.5954
            20  C1b C    35.4240   -7.8967
            21  C1b C    36.6119   -8.5954
            22  C1b C    37.7998   -7.8268
            23  C1b C    39.0576   -8.5256
            24  C1a C    40.2454   -7.8268
            25  O2a O    11.1774  -14.9541
            26  C1y C    11.1774  -13.6265
            27  C1y C    12.4352  -12.8579
            28  C1y C     9.9896  -12.8579
            29  C1y C    12.4352  -11.4603
            30  O1a O    13.8328  -13.8361
            31  C1y C     9.9896  -11.4603
            32  O1a O     8.8017  -13.5566
            33  O2a O    13.6231  -10.8314
            34  O2x O    11.1774  -10.8314
            35  C1b C     8.8017  -10.8314
            36  C1y C    14.8110  -10.1327
            37  O1a O     8.8017   -9.4339
            38  C1y C    14.8110   -8.7352
            39  C1y C    15.9989  -10.8314
            40  O2x O    15.9989   -8.0365
            41  C1b C    13.6231   -8.0365
            42  C1y C    17.1867  -10.1327
            43  O1a O    15.9989  -12.1591
            44  C1y C    17.1867   -8.7352
            45  O1a O    12.5051   -8.9448
            46  O1a O    18.3746  -10.8314
            47  S4a S    11.1774  -16.3541
            48  O1d O     9.7774  -16.3541
            49  O1d O    11.1774  -17.7541
            50  O1d O    12.5774  -16.3541
BOND        51
            1    23  24 1
            2     1   2 1
            3     1   3 1 #Down
            4     1   4 1
            5     2   5 1
            6     2   6 1 #Up
            7     3   7 1
            8     4   8 1
            9     5   9 2
            10    7  10 2
            11    7  11 1
            12    9  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   18  19 1
            20   19  20 1
            21   20  21 1
            22   21  22 1
            23   22  23 1
            24   26  25 1 #Up
            25   26  27 1
            26   26  28 1
            27   27  29 1
            28   27  30 1 #Down
            29   28  31 1
            30   28  32 1 #Up
            31   29  33 1 #Down
            32   29  34 1
            33   31  35 1 #Up
            34   36  33 1 #Up
            35   35  37 1
            36   36  38 1
            37   36  39 1
            38   38  40 1
            39   38  41 1 #Up
            40   39  42 1
            41   39  43 1 #Up
            42   40  44 1
            43   41  45 1
            44   42  46 1 #Down
            45   44   8 1 #Up
            46   31  34 1
            47   42  44 1
            48   25  47 1
            49   47  48 2
            50   47  49 2
            51   47  50 1

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