KEGG   COMPOUND: C22473
Entry
C22473                      Compound                               
Name
IV2Fuc-nLc4Cer;
IV2-a-Fuc-nLc4Cer;
Type IIH glycolipid;
Fuc-alpha1->2Gal-beta1->4GlcNAc-beta1->3Gal-beta1->4Glc-beta1->1'Cer
Formula
C51H89N2O27R
Structure
Remark
Same as: G00055
Pathway
map00601  Glycosphingolipid biosynthesis - lacto and neolacto series
map01100  Metabolic pathways
Network
nt06035  Blood group carbohydrate antigen biosynthesis
Brite
Lipids [BR:br08002]
 SP  Sphingolipids
  SP05 Neutral glycosphingolipids
   SP0505 Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series)
    G00055  Fuc-alpha1->2Gal-beta1->4GlcNAc-beta1->3Gal-beta1->4Glc-beta1->1'Cer (Type 2H)
Blood groups and carbohydrate antigens [br08110.html]
 ABO blood group
  G00055
Glycan epitopes [br08111.html]
 G00055
Other DBs
PubChem: 497619832
LinkDB
KCF data

ATOM        81
            1   C1y C    20.7469  -23.8458
            2   O2x O    19.5157  -23.1618
            3   C1y C    20.7469  -25.2137
            4   C1y C    18.3529  -23.8458
            5   C1y C    19.5157  -25.8978
            6   O2a O    22.3494  -25.9067
            7   C1y C    18.3529  -25.2137
            8   C1b C    17.1901  -23.1618
            9   O1a O    19.5157  -27.1973
            10  O1a O    17.1901  -25.8293
            11  C1y C    22.3494  -27.6852
            12  C1y C    23.5806  -28.3691
            13  O2x O    21.2550  -28.3691
            14  C1y C    23.5806  -29.7371
            15  O1a O    24.7434  -27.6852
            16  C1y C    21.2550  -29.7371
            17  C1y C    22.3494  -30.4210
            18  O1a O    24.7434  -30.4210
            19  C1a C    20.2295  -30.4210
            20  O1a O    22.3494  -31.7890
            21  O1a O    15.9911  -23.8408
            22  C1y C    25.1282  -21.7950
            23  C1y C    25.1282  -20.4270
            24  C1y C    23.9654  -22.4790
            25  N1b N    26.5645  -22.7526
            26  O2a O    26.2909  -19.7430
            27  O2x O    23.9654  -19.7430
            28  O1a O    23.9654  -23.8470
            29  C1y C    22.8025  -21.7950
            30  C5a C    26.5645  -24.0522
            31  C1y C    26.2909  -18.4434
            32  C1y C    22.8025  -20.4270
            33  O2a O    21.6398  -22.4790
            34  C1a C    27.7274  -24.5994
            35  O5a O    25.4018  -24.7362
            36  C1y C    27.5221  -17.6911
            37  C1y C    25.1282  -17.6911
            38  C1b C    21.6398  -19.7430
            39  C1y C    27.5221  -16.3230
            40  O1a O    28.8902  -18.6486
            41  C1y C    25.1282  -16.3230
            42  O1a O    23.9654  -18.3750
            43  O2x O    26.2909  -15.7073
            44  C1b C    23.9654  -15.7073
            45  O1a O    20.4471  -20.4186
            46  O1a O    22.8094  -16.4327
            47  C1c C    35.7301  -12.9715
            48  C1c C    36.8929  -13.6554
            49  N1b N    35.6617  -11.6035
            50  C1b C    34.4990  -13.6554
            51  C2b C    38.0556  -12.9715
            52  O1a O    36.8929  -15.0234
            53  C5a C    36.8929  -10.9194
            54  O2a O    33.3361  -12.9715
            55  C2b C    39.2869  -13.5870
            56  O5a O    36.8245   -9.5514
            57  R   R    38.0556  -11.6035
            58  C1b C    40.4497  -12.9030
            59  C1b C    41.6809  -13.5870
            60  C1b C    42.8437  -12.9030
            61  C1b C    44.0748  -13.5870
            62  C1b C    45.2376  -12.9030
            63  C1b C    46.4004  -13.5186
            64  C1b C    47.6316  -12.8346
            65  C1b C    48.7943  -13.5186
            66  C1b C    50.0256  -12.8346
            67  C1b C    51.1884  -13.5186
            68  C1b C    52.3512  -12.7662
            69  C1b C    53.5825  -13.4502
            70  C1a C    54.7452  -12.7662
            71  O2a O    28.6850  -15.7073
            72  C1y C    29.8478  -15.0234
            73  C1y C    29.8478  -13.6554
            74  C1y C    31.0106  -15.7073
            75  O2x O    31.0106  -12.9715
            76  C1b C    28.6850  -12.9715
            77  C1y C    32.1733  -15.0234
            78  O1a O    31.0106  -17.0070
            79  C1y C    32.1733  -13.6554
            80  O1a O    27.5906  -13.8606
            81  O1a O    33.3361  -15.7073
BOND        85
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     3   6 1 #Down
            6     4   7 1
            7     4   8 1 #Up
            8     5   9 1 #Up
            9     7  10 1 #Up
            10    5   7 1
            11   11   6 1 #Up
            12   11  12 1
            13   11  13 1
            14   12  14 1
            15   12  15 1 #Up
            16   13  16 1
            17   14  17 1
            18   14  18 1 #Down
            19   16  19 1 #Down
            20   17  20 1 #Down
            21   16  17 1
            22    8  21 1
            23   22  23 1
            24   22  24 1
            25   22  25 1 #Down
            26   23  26 1 #Up
            27   23  27 1
            28   24  28 1 #Up
            29   24  29 1
            30   25  30 1
            31   31  26 1 #Up
            32   27  32 1
            33   29  33 1 #Down
            34   30  34 1
            35   30  35 2
            36   31  36 1
            37   31  37 1
            38   32  38 1 #Up
            39   36  39 1
            40   36  40 1 #Down
            41   37  41 1
            42   37  42 1 #Up
            43   39  43 1
            44   41  44 1 #Up
            45   29  32 1
            46   41  43 1
            47   38  45 1
            48   44  46 1
            49   69  70 1
            50   47  48 1
            51   47  49 1 #Down
            52   47  50 1
            53   48  51 1
            54   48  52 1 #Up
            55   49  53 1
            56   50  54 1
            57   51  55 2
            58   53  56 2
            59   53  57 1
            60   55  58 1
            61   58  59 1
            62   59  60 1
            63   60  61 1
            64   61  62 1
            65   62  63 1
            66   63  64 1
            67   64  65 1
            68   65  66 1
            69   66  67 1
            70   67  68 1
            71   68  69 1
            72   72  71 1 #Down
            73   72  73 1
            74   72  74 1
            75   73  75 1
            76   73  76 1 #Up
            77   74  77 1
            78   74  78 1 #Up
            79   75  79 1
            80   76  80 1
            81   77  81 1 #Down
            82   79  54 1 #Up
            83   77  79 1
            84   39  71 1 #Up
            85    1  33 1 #Up

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