KEGG   COMPOUND: C06132
Entry
C06132                      Compound                               

Name
Type A glycolipid;
GalNAc-alpha1->3(Fuc-alpha1->2)Gal-beta1->3GlcNAc-beta1->3LacCer;
GalNAc-alpha1->3(Fuc-alpha1->2)Gal-beta1->3GlcNAc-beta1->3Gal-beta1->4Glc-beta1->1'Cer
Formula
C59H102N3O32R
Structure
Remark
Same as: G00054
Comment
Generic compound in reaction hierarchy
Reaction
Other DBs
PubChem: 8389
ChEBI: 62650
KCF data

ATOM        95
            1   C1c C    22.5739   -7.1561
            2   C1c C    23.7533   -7.8499
            3   N1b N    22.5045   -5.7687
            4   C1b C    21.3252   -7.8499
            5   C2b C    24.9326   -7.1561
            6   O1a O    23.7533   -9.2374
            7   C5a C    23.7533   -5.0749
            8   O2a O    20.1458   -7.1561
            9   C2b C    26.1813   -7.7805
            10  O5a O    23.6839   -3.6875
            11  R   R    24.9326   -5.7687
            12  C1b C    27.3607   -7.0868
            13  C1b C    28.6094   -7.7805
            14  C1b C    29.7888   -7.0868
            15  C1b C    31.0375   -7.7805
            16  C1b C    32.2169   -7.0868
            17  C1b C    33.3962   -7.7111
            18  C1b C    34.6449   -7.0174
            19  C1b C    35.8243   -7.7111
            20  C1b C    37.0730   -7.0174
            21  C1b C    38.2524   -7.7111
            22  C1b C    39.4317   -6.9480
            23  C1b C    40.6805   -7.6418
            24  C1a C    41.8598   -6.9480
            25  C1y C    11.8903  -16.1054
            26  C1y C    11.8903  -14.7179
            27  C1y C    10.7110  -16.7991
            28  N1b N    13.3472  -17.0766
            29  O2a O    13.0697  -14.0242
            30  O2x O    10.7110  -14.0242
            31  O2a O    10.7110  -18.1866
            32  C1y C     9.5316  -16.1054
            33  C5a C    13.3472  -18.3947
            34  C1y C    13.0697  -12.7061
            35  C1y C     9.5316  -14.7179
            36  C1y C     9.5316  -18.8803
            37  O1a O     8.3523  -16.7991
            38  C1a C    14.5265  -18.9497
            39  O5a O    12.1678  -19.0191
            40  C1y C    14.3184  -11.9429
            41  C1y C    11.8903  -11.9429
            42  C1b C     8.3523  -14.0242
            43  O2x O     8.2829  -18.1866
            44  C1y C     9.5316  -20.1984
            45  C1y C    14.3184  -10.5555
            46  O1a O    15.7059  -12.9142
            47  C1y C    11.8903  -10.5555
            48  O1a O    10.7110  -12.6367
            49  O1a O     8.3523  -12.7061
            50  C1y C     7.1035  -18.8803
            51  C1y C     8.2829  -20.8922
            52  O2a O    10.7110  -20.8228
            53  O2a O    15.4978   -9.9311
            54  O2x O    13.0697   -9.9311
            55  C1b C    10.7110   -9.9311
            56  C1y C     7.1035  -20.1984
            57  C1b C     5.9242  -18.1866
            58  O2a O     8.0054  -22.6959
            59  C1y C    16.6771   -9.2374
            60  O1a O    10.7110   -8.5436
            61  O1a O     5.9242  -20.8228
            62  O1a O     5.9242  -16.7991
            63  C1y C    16.6771   -7.8499
            64  C1y C    17.8565   -9.9311
            65  O2x O    17.8565   -7.1561
            66  C1b C    15.4978   -7.1561
            67  C1y C    19.0358   -9.2374
            68  O1a O    17.8565  -11.2492
            69  C1y C    19.0358   -7.8499
            70  O1a O    14.3878   -8.0580
            71  O1a O    20.1458   -9.9311
            72  C1y C    10.7110  -22.6265
            73  C1y C    11.9597  -23.3202
            74  O2x O     9.6010  -23.3202
            75  C1y C    11.9597  -24.7077
            76  O1a O    13.1391  -22.6265
            77  C1y C     9.6010  -24.7077
            78  C1y C    10.7110  -25.4015
            79  O1a O    13.1391  -25.4015
            80  C1a C     8.2829  -24.9852
            81  O1a O    10.7110  -26.7889
            82  C1y C     6.0629  -23.9446
            83  C1y C     6.0629  -25.3321
            84  O2x O     4.8836  -23.2509
            85  C1y C     4.8836  -26.0258
            86  N1b N     7.0342  -26.6502
            87  C1y C     3.6349  -23.9446
            88  C1y C     3.6349  -25.3321
            89  O1a O     4.8836  -27.3439
            90  C5a C     7.0342  -28.0377
            91  C1b C     2.4555  -23.2509
            92  O1a O     2.5249  -25.9564
            93  C1a C     5.8548  -28.6620
            94  O5a O     8.2135  -28.6620
            95  O1a O     2.4555  -21.8634
BOND        100
            1    23  24 1
            2     1   2 1
            3     1   3 1 #Down
            4     1   4 1
            5     2   5 1
            6     2   6 1 #Up
            7     3   7 1
            8     4   8 1
            9     5   9 2
            10    7  10 2
            11    7  11 1
            12    9  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   18  19 1
            20   19  20 1
            21   20  21 1
            22   21  22 1
            23   22  23 1
            24   25  26 1
            25   25  27 1
            26   25  28 1 #Down
            27   26  29 1 #Up
            28   26  30 1
            29   27  31 1 #Up
            30   27  32 1
            31   28  33 1
            32   34  29 1 #Up
            33   30  35 1
            34   36  31 1 #Up
            35   32  37 1 #Down
            36   33  38 1
            37   33  39 2
            38   34  40 1
            39   34  41 1
            40   35  42 1 #Up
            41   36  43 1
            42   36  44 1
            43   40  45 1
            44   40  46 1 #Down
            45   41  47 1
            46   41  48 1 #Up
            47   42  49 1
            48   43  50 1
            49   44  51 1
            50   44  52 1 #Down
            51   45  53 1 #Up
            52   45  54 1
            53   47  55 1 #Up
            54   50  56 1
            55   50  57 1 #Up
            56   51  58 1 #Up
            57   59  53 1 #Down
            58   55  60 1
            59   56  61 1 #Up
            60   57  62 1
            61   59  63 1
            62   59  64 1
            63   63  65 1
            64   63  66 1 #Up
            65   64  67 1
            66   64  68 1 #Up
            67   65  69 1
            68   66  70 1
            69   67  71 1 #Down
            70   69   8 1 #Up
            71   32  35 1
            72   47  54 1
            73   51  56 1
            74   67  69 1
            75   72  52 1 #Up
            76   72  73 1
            77   72  74 1
            78   73  75 1
            79   73  76 1 #Up
            80   74  77 1
            81   75  78 1
            82   75  79 1 #Down
            83   77  80 1 #Down
            84   78  81 1 #Down
            85   77  78 1
            86   82  58 1 #Down
            87   82  83 1
            88   82  84 1
            89   83  85 1
            90   83  86 1 #Down
            91   84  87 1
            92   85  88 1
            93   85  89 1 #Up
            94   86  90 1
            95   87  91 1 #Up
            96   88  92 1 #Up
            97   90  93 1
            98   90  94 2
            99   91  95 1
            100  87  88 1

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