KEGG   COMPOUND: C22469
Entry
C22469                      Compound                               
Name
Globo-H;
Fuc-alpha1->2Gal-beta1->3GalNAc-beta1->3Gal-alpha1->4Gal-beta1->4Glc-beta1->1'Cer
Formula
C57H99N2O32R
Structure
Remark
Same as: G00099
Pathway
map00603  Glycosphingolipid biosynthesis - globo and isoglobo series
map01100  Metabolic pathways
Network
nt06035  Blood group carbohydrate antigen biosynthesis
Brite
Lipids [BR:br08002]
 SP  Sphingolipids
  SP05 Neutral glycosphingolipids
   SP0502 Galalpha1-4Galbeta1-4Glc- (Globo series)
    G00099  Fuc-alpha1->2Gal-beta1->3GalNAc-beta1->3Gal-alpha1->4Gal-beta1->4Glc-beta1->1'Cer
Blood groups and carbohydrate antigens [br08110.html]
 ABO blood group
  G00099
Glycan epitopes [br08111.html]
 G00099
Cancer-associated carbohydrates [br08441.html]
 Glycosphingolipid
  G00099
Other DBs
PubChem: 497619828
LinkDB
KCF data

ATOM        92
            1   C1y C    24.9490  -32.4053
            2   C1y C    23.6588  -33.0883
            3   C1y C    24.8884  -30.9972
            4   O1a O    26.0883  -33.1099
            5   C1y C    22.4524  -32.3789
            6   O1a O    23.6551  -34.4865
            7   C1y C    23.6821  -30.2878
            8   O1a O    26.1115  -30.3093
            9   O2x O    22.4611  -30.9835
            10  C1a C    21.2422  -33.0676
            11  C1c C    40.4600  -11.7600
            12  C1c C    41.6500  -12.3900
            13  N1b N    40.4600  -10.3600
            14  C1b C    39.2000  -12.3900
            15  C2b C    42.9100  -11.6900
            16  O1a O    41.6500  -13.7900
            17  C5a C    41.6500   -9.5900
            18  O2a O    38.0100  -11.7600
            19  C2b C    44.1000  -12.3200
            20  O5a O    41.6500   -8.1900
            21  R   R    42.8400  -10.2900
            22  C1b C    45.2900  -11.6900
            23  C1b C    46.4800  -12.3200
            24  C1b C    47.6700  -11.6900
            25  C1b C    48.9300  -12.3200
            26  C1b C    50.1200  -11.6200
            27  C1b C    51.3800  -12.2500
            28  C1b C    52.5700  -11.6200
            29  C1b C    53.7600  -12.2500
            30  C1b C    55.0200  -11.6200
            31  C1b C    56.2100  -12.1800
            32  C1b C    57.4700  -11.5500
            33  C1b C    58.6600  -12.1800
            34  C1a C    59.9200  -11.5500
            35  C1y C    24.6400  -22.1200
            36  C1y C    24.6400  -23.5200
            37  O2a O    25.9000  -21.4900
            38  O2x O    23.4500  -21.4200
            39  C1y C    23.4500  -24.2200
            40  N1b N    25.9000  -24.2200
            41  C1y C    25.9000  -20.0900
            42  C1y C    22.3300  -22.1200
            43  C1y C    22.3300  -23.5200
            44  O2a O    23.4500  -25.6900
            45  C5a C    27.0900  -24.9200
            46  C1y C    27.0900  -19.3200
            47  C1y C    24.7100  -19.3200
            48  C1b C    21.0700  -21.4200
            49  O1a O    21.0700  -24.2200
            50  C1a C    28.2800  -24.2200
            51  O5a O    27.0900  -26.3200
            52  C1y C    27.0900  -17.9200
            53  O1a O    28.3500  -20.0900
            54  C1y C    24.7100  -17.9200
            55  O1a O    23.4500  -20.0900
            56  O1a O    19.8800  -22.1200
            57  O2a O    28.3500  -17.2900
            58  O2x O    25.9000  -17.2900
            59  C1b C    23.4500  -17.2900
            60  C1y C    29.5400  -16.5900
            61  O1a O    22.4700  -18.2000
            62  C1y C    29.5400  -15.1900
            63  C1y C    30.7300  -17.2900
            64  O2x O    30.7300  -14.4900
            65  C1b C    28.3500  -14.4900
            66  C1y C    31.9200  -16.5900
            67  O1a O    30.7300  -18.6900
            68  C1y C    31.9200  -15.1900
            69  O1a O    27.2300  -15.4000
            70  O1a O    33.1100  -17.2900
            71  O2a O    33.1100  -14.4900
            72  C1y C    34.3700  -13.7900
            73  C1y C    34.3700  -12.3900
            74  C1y C    35.5600  -14.4900
            75  O2x O    35.5600  -11.7600
            76  C1b C    33.1800  -11.7600
            77  C1y C    36.8200  -13.7900
            78  O1a O    35.5600  -15.8900
            79  C1y C    36.8200  -12.3900
            80  O1a O    32.0600  -12.6000
            81  O1a O    38.0100  -14.4900
            82  C1y C    22.3300  -26.3900
            83  C1y C    22.3300  -27.7900
            84  O2x O    21.1400  -25.6900
            85  C1y C    21.1400  -28.4900
            86  O2a O    23.5200  -28.4900
            87  C1y C    19.9500  -26.3900
            88  C1y C    19.9500  -27.7900
            89  O1a O    21.1400  -29.9600
            90  C1b C    18.6900  -25.6900
            91  O1a O    18.6900  -28.4900
            92  O1a O    17.5000  -26.3900
BOND        97
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 1
            5     2   6 1 #Down
            6     3   7 1
            7     3   8 1 #Up
            8     5   9 1
            9     5  10 1 #Down
            10    7   9 1
            11   32  33 1
            12   33  34 1
            13   11  12 1
            14   11  13 1 #Down
            15   11  14 1
            16   12  15 1
            17   12  16 1 #Up
            18   13  17 1
            19   14  18 1
            20   15  19 2
            21   17  20 2
            22   17  21 1
            23   19  22 1
            24   22  23 1
            25   23  24 1
            26   24  25 1
            27   25  26 1
            28   26  27 1
            29   27  28 1
            30   28  29 1
            31   29  30 1
            32   30  31 1
            33   31  32 1
            34   35  36 1
            35   35  37 1 #Up
            36   35  38 1
            37   36  39 1
            38   36  40 1 #Down
            39   41  37 1 #Up
            40   38  42 1
            41   39  43 1
            42   39  44 1 #Up
            43   40  45 1
            44   41  46 1
            45   41  47 1
            46   42  48 1 #Up
            47   43  49 1 #Up
            48   45  50 1
            49   45  51 2
            50   46  52 1
            51   46  53 1 #Down
            52   47  54 1
            53   47  55 1 #Up
            54   48  56 1
            55   52  57 1 #Down
            56   52  58 1
            57   54  59 1 #Up
            58   60  57 1 #Up
            59   59  61 1
            60   60  62 1
            61   60  63 1
            62   62  64 1
            63   62  65 1 #Up
            64   63  66 1
            65   63  67 1 #Up
            66   64  68 1
            67   65  69 1
            68   66  70 1 #Down
            69   68  71 1 #Up
            70   72  71 1 #Down
            71   72  73 1
            72   72  74 1
            73   73  75 1
            74   73  76 1 #Up
            75   74  77 1
            76   74  78 1 #Up
            77   75  79 1
            78   76  80 1
            79   77  81 1 #Down
            80   79  18 1 #Up
            81   42  43 1
            82   54  58 1
            83   66  68 1
            84   77  79 1
            85   82  83 1
            86   82  84 1
            87   83  85 1
            88   83  86 1 #Down
            89   84  87 1
            90   85  88 1
            91   85  89 1 #Up
            92   87  90 1 #Up
            93   88  91 1 #Up
            94   90  92 1
            95   87  88 1
            96   82  44 1 #Up
            97    7  86 1 #Up

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