KEGG   COMPOUND: C04927Help
Entry
C04927                      Compound                               

Name
N-Acetylneuraminyl-D-galactosyl-N-acetyl-D-galactosaminyl-(N-acetylneuraminyl)-D-galactosyl-D-glucosylceramide;
GD1a;
NeuAc-alpha2->3Gal-beta1->3GalNAc-beta1->4(NeuAc-alpha2->3)LacCer;
NeuAc-alpha2->3Gal-beta1->3GalNAc-beta1->4(NeuAc-alpha2->3)Gal-beta1->4Glc-beta1->1'Cer
Formula
C67H113N4O39R
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Comment
Type: generic compound in reaction hierarchy
Reaction
Enzyme
2.4.99.2        2.4.99.4        2.4.99.8        2.4.99.-        
3.2.1.18
Other DBs
PubChem: 
ChEBI: 
LipidBank: 
KCF data Show

ATOM        111
            1   C1z C    17.8869  -19.6890
            2   O2a O    15.4260  -17.2745
            3   O2x O    17.8869  -21.0819
            4   C1x C    19.0477  -18.9925
            5   C6a C    16.6797  -20.0140
            6   C1y C    15.4260  -16.0208
            7   C1y C    19.0942  -21.6856
            8   C1y C    20.2549  -19.6890
            9   C1y C    14.3116  -15.3243
            10  C1y C    16.6332  -15.3243
            11  C1y C    20.2549  -21.0355
            12  C1c C    19.0942  -23.0786
            13  O1a O    21.4158  -18.9925
            14  C1y C    14.3116  -13.9314
            15  O2a O    13.1044  -15.9744
            16  C1y C    16.6332  -13.9314
            17  O1a O    17.7940  -16.0208
            18  N1b N    21.4158  -21.6856
            19  C1c C    17.9333  -23.7286
            20  O1a O    20.3014  -23.7286
            21  O2x O    15.4260  -13.2813
            22  C1b C    13.1044  -13.2813
            23  C1y C    11.8971  -16.7173
            24  O2a O    17.7940  -13.2813
            25  C5a C    22.6230  -21.0355
            26  O1a O    16.7725  -23.0786
            27  C1b C    17.9333  -25.0751
            28  C1y C    11.8971  -18.1102
            29  O2x O    10.6899  -16.0208
            30  C1y C    18.9549  -12.5849
            31  O5a O    22.6230  -19.6425
            32  C1a C    23.7838  -21.6391
            33  O1a O    16.7725  -25.7715
            34  C1y C    10.6899  -18.8067
            35  N1b N    13.1044  -18.8067
            36  C1y C     9.4827  -16.7173
            37  C1y C    18.9549  -11.2847
            38  C1y C    20.1621  -13.2813
            39  C1y C     9.4827  -18.1102
            40  O2a O    10.6899  -20.1533
            41  C5a C    13.1044  -20.1997
            42  C1b C     8.2754  -16.0673
            43  O2x O    20.1621  -10.5882
            44  C1b C    17.7940  -10.5882
            45  C1y C    21.3229  -12.5849
            46  O1a O    20.1156  -14.6278
            47  O1a O     8.2754  -18.8067
            48  C1a C    14.3116  -20.8962
            49  O5a O    11.8971  -20.8962
            50  C1y C    21.3229  -11.2847
            51  O1a O    22.5301  -13.2813
            52  O2a O    22.5301  -10.5882
            53  C1b C    23.7373  -11.2847
            54  C1c C    24.8517  -10.5419
            55  C1c C    26.0590  -11.2384
            56  N1b N    24.8517   -9.1953
            57  C2b C    27.2662  -10.5419
            58  O1a O    26.1054  -12.6313
            59  C5a C    26.0125   -8.4524
            60  C2b C    28.4734  -11.2384
            61  O5a O    26.0125   -7.1058
            62  R   R    27.2197   -9.1489
            63  C1b C    29.6807  -10.4954
            64  C1b C    30.8879  -11.1919
            65  C1b C    32.0951  -10.4954
            66  C1b C    33.3024  -11.1454
            67  C1b C    34.4631  -10.4489
            68  C1b C    35.6704  -11.1454
            69  C1b C    36.8776  -10.4489
            70  C1b C    38.0849  -11.0991
            71  C1b C    39.2922  -10.4026
            72  C1b C    40.4994  -11.0991
            73  C1b C    41.7066  -10.4026
            74  C1b C    42.9139  -11.0526
            75  C1a C    44.0746  -10.3561
            76  O6a O    15.7046  -19.0390
            77  O6a O    16.3083  -21.3605
            78  O1a O    16.5868  -11.2384
            79  O1a O    11.8971  -14.0243
            80  O1a O     7.1147  -16.8102
            81  C1y C     9.4827  -20.8498
            82  O2x O     8.2754  -20.1533
            83  C1y C     7.0682  -20.8498
            84  C1y C     7.0682  -22.2428
            85  C1y C     8.2754  -22.9393
            86  C1y C     9.4827  -22.2428
            87  C1b C     5.8610  -20.1533
            88  O1a O     5.9074  -22.9856
            89  O2a O     8.2754  -24.3322
            90  O1a O    10.6899  -22.9393
            91  O1a O     4.6537  -20.8498
            92  C1z C     6.5575  -25.3537
            93  O2x O     5.3967  -24.6572
            94  C1x C     6.5575  -26.7466
            95  C6a C     7.7647  -25.9573
            96  C1y C     4.1895  -25.3537
            97  C1y C     5.3967  -27.4431
            98  O6a O     8.9255  -25.2608
            99  O6a O     7.7647  -27.3967
            100 C1y C     4.1895  -26.7466
            101 O1a O     5.3967  -28.7897
            102 C1c C     2.9822  -24.6108
            103 C1c C     2.9822  -23.2178
            104 C1b C     1.7285  -22.4749
            105 O1a O     1.7285  -21.0355
            106 O1a O     1.7285  -25.3537
            107 O1a O     4.1895  -22.4749
            108 N1b N     2.9822  -27.4431
            109 C5a C     2.9822  -28.8825
            110 C1a C     1.7285  -29.5790
            111 O5a O     4.1895  -29.5790
BOND        116
            1     1   2 1 #Down
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     6   2 1 #Up
            6     3   7 1
            7     4   8 1
            8     6   9 1
            9     6  10 1
            10    7  11 1
            11    7  12 1
            12    8  13 1 #Down
            13    9  14 1
            14    9  15 1 #Up
            15   10  16 1
            16   10  17 1 #Down
            17   11  18 1 #Up
            18   12  19 1
            19   12  20 1 #Down
            20   14  21 1
            21   14  22 1 #Up
            22   23  15 1 #Up
            23   16  24 1 #Up
            24   18  25 1
            25   19  26 1 #Up
            26   19  27 1
            27   23  28 1
            28   23  29 1
            29   30  24 1 #Down
            30   25  31 2
            31   25  32 1
            32   27  33 1
            33   28  34 1
            34   28  35 1 #Down
            35   29  36 1
            36   30  37 1
            37   30  38 1
            38   34  39 1
            39   34  40 1 #Up
            40   35  41 1
            41   36  42 1 #Up
            42   37  43 1
            43   37  44 1 #Up
            44   38  45 1
            45   38  46 1 #Up
            46   39  47 1 #Up
            47   41  48 1
            48   41  49 2
            49   43  50 1
            50   45  51 1 #Down
            51   50  52 1 #Up
            52    8  11 1
            53   16  21 1
            54   36  39 1
            55   45  50 1
            56   52  53 1
            57   53  54 1
            58   54  55 1
            59   54  56 1 #Down
            60   55  57 1
            61   55  58 1 #Up
            62   56  59 1
            63   57  60 2
            64   59  61 2
            65   59  62 1
            66   60  63 1
            67   63  64 1
            68   64  65 1
            69   65  66 1
            70   66  67 1
            71   67  68 1
            72   68  69 1
            73   69  70 1
            74   70  71 1
            75   71  72 1
            76   72  73 1
            77   73  74 1
            78   74  75 1
            79    5  76 1
            80    5  77 2
            81   44  78 1
            82   22  79 1
            83   42  80 1
            84   81  40 1 #Up
            85   81  82 1
            86   82  83 1
            87   83  84 1
            88   84  85 1
            89   85  86 1
            90   81  86 1
            91   83  87 1 #Up
            92   84  88 1 #Up
            93   85  89 1 #Up
            94   86  90 1 #Down
            95   87  91 1
            96   92  93 1
            97   92  89 1 #Down
            98   92  94 1
            99   92  95 1 #Up
            100  93  96 1
            101  94  97 1
            102  95  98 1
            103  95  99 2
            104  96 100 1
            105  97 101 1 #Down
            106  97 100 1
            107  96 102 1
            108 102 103 1
            109 103 104 1
            110 104 105 1
            111 102 106 1 #Down
            112 103 107 1 #Up
            113 100 108 1 #Up
            114 108 109 1
            115 109 110 1
            116 109 111 2

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