KEGG   COMPOUND: C03405
Entry
C03405                      Compound                               
Name
Lactosylceramide sulfate;
SM3
Formula
C31H56NO16SR
Structure
Remark
Same as: G10258
Reaction
Pathway
map00600  Sphingolipid metabolism
map01100  Metabolic pathways
Enzyme
2.4.1.92        2.8.2.11        3.1.6.8         3.2.1.52
Brite
Lipids [BR:br08002]
 SP  Sphingolipids
  SP06 Acidic glycosphingolipids
   SP0602 Sulfoglycosphingolipids (sulfatides)
    C03405  Lactosylceramide sulfate
Other DBs
PubChem: 6234
ChEBI: 37986
LipidBank: GSG0070
LinkDB
KCF data

ATOM        50
            1   C1y C    20.8028  -20.5296
            2   C1y C    20.7703  -19.1434
            3   O2a O    19.4896  -21.2041
            4   C1y C    21.9137  -21.2602
            5   O2x O    21.9758  -18.4678
            6   C1b C    19.5517  -18.4186
            7   C1y C    18.2968  -21.8855
            8   C1y C    23.1500  -20.5859
            9   O1a O    21.8691  -22.6595
            10  C1y C    23.1875  -19.1926
            11  O1a O    18.3588  -19.1492
            12  O2x O    17.0781  -21.1606
            13  C1y C    18.2533  -23.2905
            14  O1a O    24.3426  -21.3225
            15  O2a O    24.4178  -18.5372
            16  C1y C    15.8609  -21.8291
            17  C1y C    17.0161  -23.9463
            18  O1a O    19.2713  -23.7960
            19  C1b C    25.6423  -19.2303
            20  C1y C    15.8990  -23.2342
            21  C1b C    14.6610  -21.1043
            22  O2a O    16.9784  -25.3582
            23  C1c C    26.8538  -18.5124
            24  O1a O    14.5671  -23.9086
            25  O1a O    13.4681  -21.8291
            26  C1c C    28.0968  -19.2055
            27  N1b N    26.8479  -17.1004
            28  C2b C    29.3214  -18.4809
            29  O1a O    28.1099  -20.6107
            30  C5a C    28.0536  -16.3885
            31  C2b C    30.5457  -19.1740
            32  O5a O    28.1047  -14.9764
            33  R   R    29.2837  -17.0685
            34  C1b C    31.7572  -18.4620
            35  C1b C    32.9875  -19.1551
            36  C1b C    34.2121  -18.4373
            37  C1b C    35.4364  -19.1304
            38  C1b C    36.6610  -18.4057
            39  C1b C    37.8913  -19.0931
            40  C1b C    39.1097  -18.3810
            41  C1b C    40.3400  -19.0742
            42  C1b C    41.5515  -18.3623
            43  C1b C    42.7947  -19.0496
            44  C1b C    44.0062  -18.3435
            45  C1b C    45.2367  -19.0308
            46  C1a C    46.4553  -18.3119
            47  S4a S    17.0364  -26.7533
            48  O1d O    18.3658  -26.7533
            49  O1d O    15.5669  -26.7533
            50  O1d O    17.0292  -28.1527
BOND        51
            1     2   5 1
            2     2   6 1 #Up
            3     7   3 1 #Up
            4     4   8 1
            5     4   9 1 #Up
            6     5  10 1
            7     6  11 1
            8     7  12 1
            9     7  13 1
            10    8  14 1 #Down
            11   10  15 1 #Up
            12   12  16 1
            13   13  17 1
            14   13  18 1 #Down
            15   15  19 1
            16   16  20 1
            17   16  21 1 #Up
            18   17  22 1 #Up
            19   19  23 1
            20   20  24 1 #Up
            21   21  25 1
            22   23  26 1
            23   23  27 1 #Down
            24   26  28 1
            25   26  29 1 #Up
            26   27  30 1
            27   28  31 2
            28   30  32 2
            29   30  33 1
            30   31  34 1
            31   34  35 1
            32   35  36 1
            33   36  37 1
            34   37  38 1
            35   38  39 1
            36   39  40 1
            37   40  41 1
            38   41  42 1
            39   42  43 1
            40   43  44 1
            41   44  45 1
            42   45  46 1
            43    8  10 1
            44   17  20 1
            45   22  47 1
            46    1   2 1
            47   47  48 1
            48    1   3 1 #Down
            49   47  49 2
            50    1   4 1
            51   47  50 2

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