KEGG   COMPOUND: C06139Help
Entry
C06139                      Compound                               

Name
GQ1;
Neu5Ac-alpha2->8Neu5Ac-alpha2->3Gal-beta1->3GalNAc-beta1->4(Neu5Ac-alpha2->8Neu5Ac-alpha2->3)Gal-beta1->4Glc-beta1->1'Cer;
Neu5Ac-alpha2->8Neu5Ac-alpha2->3Gal-beta1->3GalNAc-beta1->4(Neu5Ac-alpha2->8Neu5Ac-alpha2->3)LacCer
Formula
C89H147N6O55R
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Comment
Generic compound in reaction hierarchy
Reaction
Enzyme
2.4.99.8        2.4.99.-        3.2.1.18
Other DBs
PubChem: 
ChEBI: 
LipidBank: 
KCF data Show

ATOM        151
            1   C1z C    23.4861  -18.4602
            2   O2a O    21.0808  -16.1012
            3   O2x O    23.4861  -19.8478
            4   C1x C    24.6424  -17.7664
            5   C6a C    22.2834  -18.7839
            6   C1y C    21.0808  -14.8524
            7   C1y C    24.6887  -20.4491
            8   C1y C    25.8450  -18.4602
            9   C1y C    19.9707  -14.1586
            10  C1y C    22.2372  -14.1586
            11  C1y C    25.8450  -19.8015
            12  C1c C    24.6887  -21.8367
            13  O1a O    27.0013  -17.7664
            14  C1y C    19.9707  -12.7709
            15  O2a O    18.7681  -14.8061
            16  C1y C    22.2372  -12.7709
            17  O1a O    23.3935  -14.8524
            18  N1b N    27.0013  -20.4491
            19  C1c C    23.5323  -22.4843
            20  O1a O    25.8912  -22.4843
            21  O2x O    21.0808  -12.1233
            22  C1b C    18.7681  -12.1233
            23  C1y C    17.5655  -15.5462
            24  O2a O    23.3935  -12.1233
            25  C5a C    28.2040  -19.8015
            26  O2a O    22.3760  -21.8367
            27  C1b C    23.5323  -23.8257
            28  C1y C    17.5655  -16.9338
            29  O2x O    16.3629  -14.8524
            30  C1y C    24.5499  -11.3833
            31  O5a O    28.2040  -18.4139
            32  C1a C    29.3603  -20.4029
            33  O1a O    22.3760  -24.5195
            34  C1y C    16.3629  -17.6276
            35  N1b N    18.7681  -17.6276
            36  C1y C    15.1603  -15.5462
            37  C1y C    24.5499  -10.0881
            38  C1y C    25.7525  -12.1233
            39  C1y C    15.1603  -16.9338
            40  O2a O    16.3629  -18.9227
            41  C5a C    18.7681  -18.9690
            42  C1b C    13.9576  -14.8986
            43  O2x O    25.7525   -9.3943
            44  C1b C    23.3935   -9.3943
            45  C1y C    26.9089  -11.3833
            46  O1a O    25.7063  -13.4647
            47  O1a O    13.9576  -17.6276
            48  C1a C    19.9707  -19.6628
            49  O5a O    17.5655  -19.6628
            50  C1y C    26.9089  -10.0881
            51  O1a O    28.1114  -12.1233
            52  O2a O    28.1114   -9.3943
            53  C1b C    29.3141  -10.0881
            54  C1c C    30.4242   -9.3480
            55  C1c C    31.5805  -10.0419
            56  N1b N    30.4242   -8.0530
            57  C2b C    32.7832   -9.3480
            58  O1a O    31.6268  -11.4295
            59  C5a C    31.5343   -7.3129
            60  C2b C    33.9858  -10.0419
            61  O5a O    31.5343   -5.9715
            62  R   R    32.7369   -8.0067
            63  C1b C    35.1883   -9.3019
            64  C1b C    36.3910   -9.9957
            65  C1b C    37.5936   -9.3019
            66  C1b C    38.8425   -9.9494
            67  C1b C    39.9526   -9.2556
            68  C1b C    41.1551   -9.9494
            69  C1b C    42.3578   -9.2556
            70  C1b C    43.5604   -9.9031
            71  C1b C    44.7630   -9.2093
            72  C1b C    45.9657   -9.9031
            73  C1b C    47.1682   -9.2093
            74  C1b C    48.3708   -9.8569
            75  C1a C    49.4809   -9.1631
            76  O6a O    21.3583  -17.8126
            77  O6a O    21.9134  -20.1254
            78  O1a O    22.1909  -10.0419
            79  O1a O    17.5655  -12.8634
            80  O1a O    12.8013  -15.6387
            81  C1z C    12.6163  -24.1032
            82  O2x O    11.4599  -23.4094
            83  O2a O    14.0502  -22.9931
            84  C1x C    12.6163  -25.4445
            85  C6a C    13.7727  -24.7045
            86  C1y C    10.2110  -24.1032
            87  C1y C    14.0502  -21.6517
            88  C1y C    11.4599  -26.1383
            89  O6a O    14.9290  -24.0107
            90  O6a O    13.7727  -26.0922
            91  C1y C    10.2110  -25.4445
            92  C1y C    12.8475  -20.9579
            93  C1y C    15.2065  -20.9579
            94  O1a O    11.4599  -27.4798
            95  C1y C    12.8475  -19.6165
            96  O1a O    11.6912  -21.6055
            97  C1y C    15.2065  -19.6165
            98  O2x O    14.0502  -18.9690
            99  C1b C    11.6912  -18.9690
            100 C1c C     9.0085  -23.3631
            101 C1c C     9.0085  -21.9755
            102 O2a O     7.7596  -21.2355
            103 O1a O     7.7596  -24.1032
            104 C1b C    10.2110  -21.2355
            105 N1b N     9.0085  -26.1383
            106 C5a C     9.0085  -27.5723
            107 C1a C     7.7596  -28.2661
            108 O5a O    10.2110  -28.2661
            109 O1a O    16.4554  -21.6517
            110 O1a O    11.6912  -17.5813
            111 O1a O    10.2110  -19.8478
            112 C1z C     6.5570  -20.5416
            113 O2x O     5.4006  -19.8478
            114 C1x C     6.5570  -21.8830
            115 C1y C     4.1980  -20.5416
            116 C1y C     5.4006  -22.5768
            117 C1y C     4.1980  -21.8830
            118 O1a O     5.4006  -23.9181
            119 C1c C     2.9954  -19.8015
            120 C1c C     2.9954  -18.4139
            121 C1b C     1.7465  -17.6738
            122 O1a O     1.7465  -16.2400
            123 O1a O     1.7465  -20.5416
            124 O1a O     4.1980  -17.6738
            125 N1b N     2.9954  -22.5768
            126 C5a C     2.9954  -24.0107
            127 C1a C     1.7465  -24.7045
            128 O5a O     4.1980  -24.7045
            129 C6a C     7.2508  -19.3390
            130 O6a O     8.6385  -19.3390
            131 O6a O     6.5570  -18.1364
            132 C1z C    19.6007  -25.3058
            133 O2x O    18.3980  -25.9534
            134 C1x C    20.6645  -25.9996
            135 C1y C    18.3980  -27.3410
            136 C1y C    20.6645  -27.2947
            137 C1y C    19.5544  -27.9423
            138 O1a O    21.7746  -27.9886
            139 C1c C    17.1955  -27.9886
            140 C1c C    16.0391  -27.2947
            141 C1b C    14.8365  -27.9423
            142 O1a O    13.6339  -27.2947
            143 O1a O    17.1955  -29.3762
            144 O1a O    16.0391  -25.9071
            145 N1b N    19.5081  -29.2837
            146 C5a C    20.6645  -30.0237
            147 C1a C    20.6645  -31.3651
            148 O5a O    21.8671  -29.3299
            149 C6a C    18.9531  -24.1495
            150 O6a O    19.5544  -23.0394
            151 O6a O    17.5193  -24.1495
BOND        158
            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  82 1
            85   81  83 1 #Down
            86   81  84 1
            87   81  85 1 #Up
            88   82  86 1
            89   87  83 1 #Up
            90   84  88 1
            91   85  89 1
            92   85  90 2
            93   86  91 1
            94   87  92 1
            95   87  93 1
            96   88  94 1 #Down
            97   92  95 1
            98   92  96 1 #Up
            99   93  97 1
            100  95  98 1
            101  95  99 1 #Up
            102  97  40 1 #Up
            103  88  91 1
            104  97  98 1
            105  86 100 1
            106 100 101 1
            107 101 102 1 #Down
            108 100 103 1 #Down
            109 101 104 1
            110  91 105 1 #Up
            111 105 106 1
            112 106 107 1
            113 106 108 2
            114  93 109 1 #Down
            115  99 110 1
            116 104 111 1
            117 112 113 1
            118 112 114 1
            119 113 115 1
            120 114 116 1
            121 115 117 1
            122 116 118 1 #Down
            123 116 117 1
            124 115 119 1
            125 119 120 1
            126 120 121 1
            127 121 122 1
            128 119 123 1 #Down
            129 120 124 1 #Up
            130 117 125 1 #Up
            131 125 126 1
            132 126 127 1
            133 126 128 2
            134 112 129 1 #Up
            135 112 102 1 #Down
            136 129 130 2
            137 129 131 1
            138 132  26 1 #Down
            139 132 133 1
            140 132 134 1
            141 133 135 1
            142 134 136 1
            143 135 137 1
            144 136 138 1 #Down
            145 136 137 1
            146 135 139 1
            147 139 140 1
            148 140 141 1
            149 141 142 1
            150 139 143 1 #Down
            151 140 144 1 #Up
            152 137 145 1 #Up
            153 145 146 1
            154 146 147 1
            155 146 148 2
            156 132 149 1 #Up
            157 149 150 1
            158 149 151 2

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