KEGG   COMPOUND: C04737Help
Entry
C04737                      Compound                               

Name
alpha-D-Galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-ceramide;
Globotriosylceramide;
Trihexosylceramide;
Gal-alpha1->4Gal-beta1->4Glc-beta1->1'Cer;
Gal-alpha1->4LacCer;
D-Galactosyl-1,4-D-galactosyl-1,4-D-glucosylceramide
Formula
C37H66NO18R
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Comment
Generic compound in reaction hierarchy
Reaction
Pathway
Shigellosis
Enzyme
2.4.1.79        2.4.1.228       3.2.1.22        3.2.1.47        
3.2.1.52
Other DBs
CAS: 
71965-57-6
PubChem: 
ChEBI: 
LipidBank: 
KCF data Show

ATOM        57
            1   C1c C    24.3290  -15.4984
            2   C1c C    25.5605  -16.1819
            3   N1b N    24.3173  -14.0961
            4   C1b C    23.1206  -16.2112
            5   C2b C    26.7677  -15.4751
            6   O1a O    25.5722  -17.5901
            7   C5a C    25.5128  -13.3834
            8   O2a O    21.9006  -15.5218
            9   C2b C    27.9877  -16.1585
            10  O5a O    25.5011  -11.9869
            11  R   R    26.7326  -14.0728
            12  C1b C    29.2018  -15.4517
            13  C1b C    30.4205  -16.1353
            14  C1b C    31.6346  -15.4283
            15  C1b C    32.8547  -16.1119
            16  C1b C    34.0674  -15.4049
            17  C1b C    35.2874  -16.0816
            18  C1b C    36.5015  -15.3687
            19  C1b C    37.7273  -16.0582
            20  C1b C    38.9345  -15.3453
            21  C1b C    40.1603  -16.0348
            22  C1b C    41.3686  -15.3219
            23  C1b C    42.5931  -16.0115
            24  C1a C    43.8014  -15.2986
            25  C1y C    13.4039  -20.4157
            26  C1y C    13.4039  -18.9995
            27  O2a O    12.2010  -21.1113
            28  C1y C    14.6127  -21.1113
            29  O2x O    14.6127  -18.3165
            30  C1b C    12.2010  -18.3165
            31  C1y C    10.9782  -21.7942
            32  C1y C    15.8414  -20.4157
            33  O1a O    14.6127  -22.5146
            34  C1y C    15.8414  -18.9995
            35  O1a O    11.1420  -19.2126
            36  O2x O     9.7563  -21.1113
            37  C1y C    10.9782  -23.1916
            38  O1a O    17.0443  -21.1113
            39  O2a O    17.0443  -18.3165
            40  C1y C     8.5663  -21.7942
            41  C1y C     9.7563  -23.9060
            42  O1a O    12.2010  -23.9060
            43  C1y C    18.2601  -17.6209
            44  C1y C     8.5663  -23.1916
            45  C1b C     7.3447  -21.1113
            46  O1a O     9.7694  -25.3093
            47  C1y C    18.2601  -16.2105
            48  C1y C    19.4759  -18.3165
            49  O1a O     7.3447  -23.9060
            50  O1a O     6.2859  -22.0073
            51  O2x O    19.4759  -15.5218
            52  C1b C    17.0572  -15.5218
            53  C1y C    20.7036  -17.6209
            54  O1a O    19.4759  -19.7198
            55  C1y C    20.7036  -16.2105
            56  O1a O    15.9854  -16.4178
            57  O1a O    21.9006  -18.3165
BOND        59
            1     5   9 2
            2     7  10 2
            3     7  11 1
            4     9  12 1
            5    12  13 1
            6    13  14 1
            7    14  15 1
            8    15  16 1
            9    16  17 1
            10   17  18 1
            11   18  19 1
            12   19  20 1
            13   20  21 1
            14   21  22 1
            15   22  23 1
            16   23  24 1
            17    1   2 1
            18    1   3 1 #Down
            19    1   4 1
            20    2   5 1
            21    2   6 1 #Up
            22    3   7 1
            23    4   8 1
            24   25  26 1
            25   25  27 1 #Up
            26   25  28 1
            27   26  29 1
            28   26  30 1 #Up
            29   31  27 1 #Down
            30   28  32 1
            31   28  33 1 #Up
            32   29  34 1
            33   30  35 1
            34   31  36 1
            35   31  37 1
            36   32  38 1 #Down
            37   34  39 1 #Up
            38   36  40 1
            39   37  41 1
            40   37  42 1 #Down
            41   43  39 1 #Down
            42   40  44 1
            43   40  45 1 #Up
            44   41  46 1 #Up
            45   43  47 1
            46   43  48 1
            47   44  49 1 #Up
            48   45  50 1
            49   47  51 1
            50   47  52 1 #Up
            51   48  53 1
            52   48  54 1 #Up
            53   51  55 1
            54   52  56 1
            55   53  57 1 #Down
            56   55   8 1 #Up
            57   32  34 1
            58   41  44 1
            59   53  55 1

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