KEGG   COMPOUND: C06138
Entry
C06138                      Compound                               
Name
GT1a;
Neu5Ac-alpha2->8Neu5Ac-alpha2->3Gal-beta1->3GalNAc-beta1->4(Neu5Ac-alpha2->3)Gal-beta1->4Glc-beta1->1'Cer;
Neu5Ac-alpha2->8Neu5Ac-alpha2->3Gal-beta1->3GalNAc-beta1->4(Neu5Ac-alpha2->3)LacCer
Formula
C78H130N5O47R
Structure
Remark
Same as: G00112
Comment
Generic compound in reaction hierarchy
Reaction
Pathway
map00604  Glycosphingolipid biosynthesis - ganglio series
map01100  Metabolic pathways
Enzyme
2.4.3.8         2.4.99.-
Other DBs
PubChem: 8394
ChEBI: 27691
LinkDB
KCF data

ATOM        131
            1   C1z C    26.0155  -20.3115
            2   O2a O    23.5847  -17.9274
            3   O2x O    26.0155  -21.7138
            4   C1x C    27.1842  -19.6103
            5   C6a C    24.8002  -20.6386
            6   C1y C    23.5847  -16.6653
            7   C1y C    27.2309  -22.3214
            8   C1y C    28.3995  -20.3115
            9   C1y C    22.4628  -15.9641
            10  C1y C    24.7534  -15.9641
            11  C1y C    28.3995  -21.6670
            12  C1c C    27.2309  -23.7238
            13  O1a O    29.5682  -19.6103
            14  C1y C    22.4628  -14.5618
            15  O2a O    21.2475  -16.6185
            16  C1y C    24.7534  -14.5618
            17  O1a O    25.9221  -16.6653
            18  N1b N    29.5682  -22.3214
            19  C1c C    26.0623  -24.3783
            20  O1a O    28.4463  -24.3783
            21  O2x O    23.5847  -13.9073
            22  C1b C    21.2475  -13.9073
            23  C1y C    20.0322  -17.3665
            24  O2a O    25.9221  -13.9073
            25  C5a C    30.7835  -21.6670
            26  O1a O    24.8936  -23.7238
            27  C1b C    26.0623  -25.7339
            28  C1y C    20.0322  -18.7689
            29  O2x O    18.8167  -16.6653
            30  C1y C    27.0906  -13.2061
            31  O5a O    30.7835  -20.2647
            32  C1a C    31.9522  -22.2748
            33  O1a O    24.8936  -26.4351
            34  C1y C    18.8167  -19.4700
            35  N1b N    21.2475  -19.4700
            36  C1y C    17.6014  -17.3665
            37  C1y C    27.0906  -11.8973
            38  C1y C    28.3061  -13.9073
            39  C1y C    17.6014  -18.7689
            40  O2a O    18.8167  -20.7788
            41  C5a C    21.2475  -20.8256
            42  C1b C    16.3860  -16.7120
            43  O2x O    28.3061  -11.1961
            44  C1b C    25.9221  -11.1961
            45  C1y C    29.4746  -13.2061
            46  O1a O    28.2593  -15.2630
            47  O1a O    16.3860  -19.4700
            48  C1a C    22.4628  -21.5268
            49  O5a O    20.0322  -21.5268
            50  C1y C    29.4746  -11.8973
            51  O1a O    30.6901  -13.9073
            52  O2a O    30.6901  -11.1961
            53  C1b C    31.9054  -11.8973
            54  C1c C    33.0273  -11.1493
            55  C1c C    34.1960  -11.8505
            56  N1b N    33.0273   -9.8404
            57  C2b C    35.4113  -11.1493
            58  O1a O    34.2427  -13.2529
            59  C5a C    34.1492   -9.0926
            60  C2b C    36.6267  -11.8505
            61  O5a O    34.1492   -7.7369
            62  R   R    35.3646   -9.7938
            63  C1b C    37.8421  -11.1026
            64  C1b C    39.0575  -11.8037
            65  C1b C    40.2728  -11.1026
            66  C1b C    41.4883  -11.7571
            67  C1b C    42.6101  -11.0559
            68  C1b C    43.8255  -11.7571
            69  C1b C    45.0408  -11.0559
            70  C1b C    46.2563  -11.7103
            71  C1b C    47.4716  -11.0091
            72  C1b C    48.6870  -11.7103
            73  C1b C    49.9024  -11.0091
            74  C1b C    51.1177  -11.6635
            75  C1a C    52.2396  -10.9623
            76  O6a O    23.8652  -19.6570
            77  O6a O    24.4262  -21.9943
            78  O1a O    24.7066  -11.8505
            79  O1a O    20.0322  -14.6552
            80  O1a O    15.2174  -17.4600
            81  C1z C    15.0303  -26.0143
            82  O2x O    13.8618  -25.3132
            83  O2a O    16.4795  -24.8925
            84  C1x C    15.0303  -27.3699
            85  C6a C    16.1990  -26.6221
            86  C1y C    12.6463  -26.0143
            87  C1y C    16.4795  -23.5369
            88  C1y C    13.8618  -28.0711
            89  O6a O    17.3677  -25.9209
            90  O6a O    16.1990  -28.0244
            91  C1y C    12.6463  -27.3699
            92  C1y C    15.2641  -22.8357
            93  C1y C    17.6482  -22.8357
            94  O1a O    13.8618  -29.4268
            95  C1y C    15.2641  -21.4800
            96  O1a O    14.0955  -23.4901
            97  C1y C    17.6482  -21.4800
            98  O2x O    16.4795  -20.8256
            99  C1b C    14.0955  -20.8256
            100 C1c C    11.4310  -25.2664
            101 C1c C    11.4310  -23.8640
            102 O2a O    10.1689  -23.1162
            103 O1a O    10.1689  -26.0143
            104 C1b C    12.6463  -23.1162
            105 N1b N    11.4310  -28.0711
            106 C5a C    11.4310  -29.5202
            107 C1a C    10.1689  -30.2214
            108 O5a O    12.6463  -30.2214
            109 O1a O    18.9103  -23.5369
            110 O1a O    14.0955  -19.4233
            111 O1a O    12.6463  -21.7138
            112 C1z C     8.9535  -22.4150
            113 O2x O     7.7849  -21.7138
            114 C1x C     8.9535  -23.7706
            115 C1y C     6.5695  -22.4150
            116 C1y C     7.7849  -24.4718
            117 C1y C     6.5695  -23.7706
            118 O1a O     7.7849  -25.8273
            119 C1c C     5.3541  -21.6670
            120 C1c C     5.3541  -20.2647
            121 C1b C     4.0919  -19.5167
            122 O1a O     4.0919  -18.0677
            123 O1a O     4.0919  -22.4150
            124 O1a O     6.5695  -19.5167
            125 N1b N     5.3541  -24.4718
            126 C5a C     5.3541  -25.9209
            127 C1a C     4.0919  -26.6221
            128 O5a O     6.5695  -26.6221
            129 C6a C     9.6547  -21.1995
            130 O6a O    11.0571  -21.1995
            131 O6a O     8.9535  -19.9842
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  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

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