KEGG   COMPOUND: C22467
Entry
C22467                      Compound                               
Name
Gangliotriaosylceramide-II3 sulfate;
SM2a
Formula
C39H69N2O21SR
Structure
Reaction
Pathway
map00600  Sphingolipid metabolism
map01100  Metabolic pathways
Enzyme
2.4.1.92        3.2.1.52
Brite
Lipids [BR:br08002]
 SP  Sphingolipids
  SP06 Acidic glycosphingolipids
   SP0602 Sulfoglycosphingolipids (sulfatides)
    C22467  GalNAc-beta1->4-S-3Gal-beta1->4Glc-beta1->1'Cer (SM2a)
LinkDB
KCF data

ATOM        64
            1   C1y C    33.0506  -17.2374
            2   C1y C    33.0181  -15.8514
            3   O2a O    31.7375  -17.9119
            4   C1y C    34.1614  -17.9679
            5   O2x O    34.2235  -15.1758
            6   C1b C    31.7996  -15.1266
            7   C1y C    30.5449  -18.5932
            8   C1y C    35.3975  -17.2937
            9   O1a O    34.1168  -19.3671
            10  C1y C    35.4350  -15.9006
            11  O1a O    30.6069  -15.8572
            12  O2x O    29.3263  -17.8684
            13  C1y C    30.5014  -19.9980
            14  O1a O    36.5900  -18.0302
            15  O2a O    36.6652  -15.2452
            16  C1y C    28.1092  -18.5368
            17  C1y C    29.2643  -20.6538
            18  O1a O    31.5193  -20.5035
            19  C1b C    37.8896  -15.9383
            20  C1y C    28.1473  -19.9417
            21  C1b C    26.9094  -17.8121
            22  O2a O    29.2266  -22.0655
            23  C1c C    39.1010  -15.2204
            24  O1a O    25.7167  -18.5368
            25  C1c C    40.3438  -15.9135
            26  N1b N    39.0951  -13.8086
            27  C2b C    41.5683  -15.1889
            28  O1a O    40.3569  -17.3185
            29  C5a C    40.3006  -13.0968
            30  C2b C    42.7925  -15.8820
            31  O5a O    40.3517  -11.6848
            32  R   R    41.5306  -13.7767
            33  C1b C    44.0038  -15.1700
            34  C1b C    45.2340  -15.8631
            35  C1b C    46.4585  -15.1453
            36  C1b C    47.6826  -15.8384
            37  C1b C    48.9071  -15.1137
            38  C1b C    50.1373  -15.8011
            39  C1b C    51.3556  -15.0891
            40  C1b C    52.5857  -15.7822
            41  C1b C    53.7971  -15.0704
            42  C1b C    55.0402  -15.7576
            43  C1b C    56.2515  -15.0516
            44  C1b C    57.4819  -15.7388
            45  C1a C    58.7004  -15.0200
            46  S4a S    29.2846  -23.4605
            47  O1d O    30.6139  -23.4605
            48  O1d O    27.8153  -23.4605
            49  O1d O    29.2774  -24.8597
            50  O5a O    25.2700  -26.3200
            51  O2a O    26.7400  -20.6500
            52  C1y C    25.4800  -21.4900
            53  C1y C    25.4800  -22.8900
            54  O2x O    24.2900  -20.7900
            55  C1y C    24.2900  -23.5900
            56  N1b N    26.5300  -24.2200
            57  C1y C    23.0300  -21.4900
            58  C1y C    23.0300  -22.8900
            59  O1a O    24.2900  -24.9200
            60  C1b C    21.8400  -20.7900
            61  O1a O    21.8400  -23.5900
            62  O1a O    20.6500  -21.5600
            63  C5a C    26.5300  -25.6200
            64  C1a C    27.7366  -26.3300
BOND        66
            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   21  24 1
            21   23  25 1
            22   23  26 1 #Down
            23   25  27 1
            24   25  28 1 #Up
            25   26  29 1
            26   27  30 2
            27   29  31 2
            28   29  32 1
            29   30  33 1
            30   33  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    8  10 1
            43   17  20 1
            44   22  46 1
            45    1   2 1
            46   46  47 1
            47    1   3 1 #Down
            48   46  48 2
            49    1   4 1
            50   46  49 2
            51   52  51 1 #Up
            52   52  53 1
            53   52  54 1
            54   53  55 1
            55   53  56 1 #Down
            56   54  57 1
            57   55  58 1
            58   55  59 1 #Up
            59   57  60 1 #Up
            60   58  61 1 #Up
            61   57  58 1
            62   60  62 1
            63   56  63 1
            64   63  50 2
            65   63  64 1
            66   20  51 1 #Up

» Japanese version

DBGET integrated database retrieval system