KEGG   COMPOUND: C06140Help
Entry
C06140                      Compound                               

Name
GT1b;
Neu5Ac-alpha2->3Gal-beta1->3GalNAc-beta1->4(Neu5Ac-alpha2->8Neu5Ac-alpha2->3)Gal-beta1->4Glc-beta1->1'Cer;
Neu5Ac-alpha2->3Gal-beta1->3GalNAc-beta1->4(Neu5Ac-alpha2->8Neu5Ac-alpha2->3)LacCer
Formula
C78H130N5O47R
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Comment
Generic compound in reaction hierarchy
Reaction
Enzyme
2.4.99.4        2.4.99.8        2.4.99.-        3.2.1.18
Other DBs
PubChem: 
ChEBI: 
LipidBank: 
KCF data Show

ATOM        131
            1   C1z C    20.0900  -18.3633
            2   O2a O    17.6633  -15.9833
            3   O2x O    20.0900  -19.7633
            4   C1x C    21.2567  -17.6633
            5   C6a C    18.8767  -18.6900
            6   C1y C    17.6633  -14.7233
            7   C1y C    21.3033  -20.3700
            8   C1y C    22.4700  -18.3633
            9   C1y C    16.5433  -14.0233
            10  C1y C    18.8300  -14.0233
            11  C1y C    22.4700  -19.7167
            12  C1c C    21.3033  -21.7700
            13  O1a O    23.6367  -17.6633
            14  C1y C    16.5433  -12.6233
            15  O2a O    15.3300  -14.6767
            16  C1y C    18.8300  -12.6233
            17  O1a O    19.9967  -14.7233
            18  N1b N    23.6367  -20.3700
            19  C1c C    20.1367  -22.4233
            20  O1a O    22.5167  -22.4233
            21  O2x O    17.6633  -11.9700
            22  C1b C    15.3300  -11.9700
            23  C1y C    14.1167  -15.4233
            24  O2a O    19.9967  -11.9700
            25  C5a C    24.8500  -19.7167
            26  O2a O    18.9700  -21.7700
            27  C1b C    20.1367  -23.7767
            28  C1y C    14.1167  -16.8233
            29  O2x O    12.9033  -14.7233
            30  C1y C    21.1633  -11.2700
            31  O5a O    24.8500  -18.3167
            32  C1a C    26.0167  -20.3233
            33  O1a O    18.9700  -24.4767
            34  C1y C    12.9033  -17.5233
            35  N1b N    15.3300  -17.5233
            36  C1y C    11.6900  -15.4233
            37  C1y C    21.1633   -9.9633
            38  C1y C    22.3767  -11.9700
            39  C1y C    11.6900  -16.8233
            40  O2a O    12.9033  -18.8300
            41  C5a C    15.3300  -18.8767
            42  C1b C    10.4767  -14.7700
            43  O2x O    22.3767   -9.2633
            44  C1b C    19.9967   -9.2633
            45  C1y C    23.5433  -11.2700
            46  O1a O    22.3300  -13.3233
            47  O1a O    10.4767  -17.5233
            48  C1a C    16.5433  -19.5767
            49  O5a O    14.1167  -19.5767
            50  C1y C    23.5433   -9.9633
            51  O1a O    24.7567  -11.9700
            52  O2a O    24.7567   -9.2633
            53  C1b C    25.9700   -9.9633
            54  C1c C    27.0900   -9.2167
            55  C1c C    28.2567   -9.9167
            56  N1b N    27.0900   -7.9100
            57  C2b C    29.4700   -9.2167
            58  O1a O    28.3033  -11.3167
            59  C5a C    28.2100   -7.1633
            60  C2b C    30.6833   -9.9167
            61  O5a O    28.2100   -5.8100
            62  R   R    29.4233   -7.8633
            63  C1b C    31.8967   -9.1700
            64  C1b C    33.1100   -9.8700
            65  C1b C    34.3233   -9.1700
            66  C1b C    35.5367   -9.8233
            67  C1b C    36.6567   -9.1233
            68  C1b C    37.8700   -9.8233
            69  C1b C    39.0833   -9.1233
            70  C1b C    40.2967   -9.7767
            71  C1b C    41.5100   -9.0767
            72  C1b C    42.7233   -9.7767
            73  C1b C    43.9367   -9.0767
            74  C1b C    45.1500   -9.7300
            75  C1a C    46.2700   -9.0300
            76  O6a O    17.9433  -17.7100
            77  O6a O    18.5033  -20.0433
            78  O1a O    18.7833   -9.9167
            79  O1a O    14.1167  -12.7167
            80  O1a O     9.3100  -15.5167
            81  C1y C    11.6900  -19.5300
            82  O2x O    10.4767  -18.8300
            83  C1y C     9.2633  -19.5300
            84  C1y C     9.2633  -20.9300
            85  C1y C    10.4767  -21.6300
            86  C1y C    11.6900  -20.9300
            87  C1b C     8.0967  -18.8300
            88  O1a O     8.1433  -21.8167
            89  O2a O    10.4767  -23.0300
            90  O1a O    12.9033  -21.6300
            91  O1a O     6.8833  -19.5300
            92  C1z C     8.7967  -24.0567
            93  O2x O     7.6300  -23.3567
            94  C1x C     8.7967  -25.4567
            95  C6a C     9.9633  -24.6633
            96  C1y C     6.4167  -24.0567
            97  C1y C     7.6300  -26.1567
            98  O6a O    11.1300  -23.9633
            99  O6a O     9.9633  -26.1100
            100 C1y C     6.4167  -25.4567
            101 O1a O     7.6300  -27.4633
            102 C1c C     5.2033  -23.3100
            103 C1c C     5.2033  -21.9100
            104 C1b C     3.9433  -21.1633
            105 O1a O     3.9433  -19.7167
            106 O1a O     3.9433  -24.0567
            107 O1a O     6.4167  -21.0233
            108 N1b N     5.2033  -26.1567
            109 C5a C     5.2033  -27.5567
            110 C1a C     3.9433  -28.2567
            111 O5a O     6.4167  -28.2567
            112 C1z C    16.1233  -25.3167
            113 O2x O    14.9100  -25.9700
            114 C1x C    17.2433  -26.0167
            115 C1y C    14.9100  -27.3700
            116 C1y C    17.2433  -27.3233
            117 C1y C    16.0767  -27.9767
            118 O1a O    18.3633  -28.0233
            119 C1c C    13.6967  -28.0233
            120 C1c C    12.4833  -27.3233
            121 C1b C    11.2700  -27.9767
            122 O1a O    10.0567  -27.3233
            123 O1a O    13.6967  -29.4700
            124 O1a O    12.4833  -25.9233
            125 N1b N    16.0300  -29.3767
            126 C5a C    17.2433  -30.1233
            127 C1a C    17.2433  -31.4767
            128 O5a O    18.4567  -29.4233
            129 C6a C    15.4700  -24.1033
            130 O6a O    16.0767  -22.9833
            131 O6a O    14.0233  -24.1033
BOND        137
            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
            117 112  26 1 #Down
            118 112 113 1
            119 112 114 1
            120 113 115 1
            121 114 116 1
            122 115 117 1
            123 116 118 1 #Down
            124 116 117 1
            125 115 119 1
            126 119 120 1
            127 120 121 1
            128 121 122 1
            129 119 123 1 #Down
            130 120 124 1 #Up
            131 117 125 1 #Up
            132 125 126 1
            133 126 127 1
            134 126 128 2
            135 112 129 1 #Up
            136 129 130 1
            137 129 131 2

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