KEGG   COMPOUND: C22470
Entry
C22470                      Compound                               
Name
Fuc-Lc4Cer;
III4-a-Fuc-Lc4Cer;
Lea glycolipid;
Fuc-alpha1->4(Gal-beta1->3)GlcNAc-beta1->3Gal-beta1->4Glc-beta1->1'Cer;
Fuc-alpha1->4(Gal-beta1->3)GlcNAc-beta1->3LacCer
Formula
C51H89N2O27R
Structure
Remark
Same as: G00046
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
   SP0504 Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series)
    G00046  Fuc-alpha1->4(Gal-beta1->3)GlcNAc-beta1->3LacCer
Blood groups and carbohydrate antigens [br08110.html]
 Lewis blood group
  G00046
Other DBs
PubChem: 497619829
LinkDB
KCF data

ATOM        81
            1   C1y C    11.3057  -19.7961
            2   C1y C    11.3481  -18.3981
            3   C1y C    12.6133  -20.4679
            4   O1a O    10.1845  -20.5310
            5   C1y C    12.5422  -17.6682
            6   O1a O    10.1165  -17.7362
            7   C1y C    13.8074  -19.7380
            8   O1a O    12.5739  -22.0108
            9   O2x O    13.7689  -18.3332
            10  C1a C    12.5048  -16.2763
            11  C1c C    31.1195  -10.4951
            12  C1c C    32.3528  -11.1797
            13  N1b N    31.1078   -9.0910
            14  C1b C    29.9095  -11.2090
            15  C2b C    33.5615  -10.4717
            16  O1a O    32.3645  -12.5897
            17  C5a C    32.3049   -8.3771
            18  O2a O    28.6877  -10.5185
            19  C2b C    34.7833  -11.1563
            20  O5a O    32.2932   -6.9788
            21  R   R    33.5264   -9.0676
            22  C1b C    35.9991  -10.4483
            23  C1b C    37.2195  -11.1330
            24  C1b C    38.4353  -10.4249
            25  C1b C    39.6571  -11.1096
            26  C1b C    40.8715  -10.4015
            27  C1b C    42.0933  -11.0791
            28  C1b C    43.3090  -10.3653
            29  C1b C    44.5365  -11.0557
            30  C1b C    45.7453  -10.3419
            31  C1b C    46.9729  -11.0323
            32  C1b C    48.1829  -10.3185
            33  C1b C    49.4091  -11.0089
            34  C1a C    50.6191  -10.2951
            35  C1y C    20.3052  -19.5249
            36  C1y C    20.3052  -18.1330
            37  C1y C    19.0880  -20.2310
            38  N1b N    21.7781  -20.4995
            39  O2a O    21.4908  -17.4469
            40  O2x O    19.0880  -17.4469
            41  O2a O    19.0880  -22.5273
            42  C1y C    17.8951  -19.5249
            43  C5a C    21.7781  -21.8729
            44  C1y C    21.5037  -16.0679
            45  C1y C    17.8951  -18.1330
            46  C1y C    17.8951  -23.2132
            47  O2a O    16.6968  -20.2122
            48  C1a C    22.9825  -22.4216
            49  O5a O    20.5796  -22.5588
            50  C1y C    22.7150  -15.3489
            51  C1y C    20.3052  -15.3489
            52  C1b C    16.6968  -17.4469
            53  O2x O    16.6850  -22.5273
            54  C1y C    17.8951  -24.6110
            55  C1y C    22.7150  -13.9570
            56  O1a O    24.1810  -16.3234
            57  C1y C    20.3052  -13.9570
            58  O1a O    19.1067  -16.0491
            59  C1y C    15.4923  -23.2132
            60  C1y C    16.6850  -25.3171
            61  O1a O    19.0880  -25.2983
            62  O2a O    23.9135  -13.2710
            63  O2x O    21.5037  -13.2710
            64  C1b C    19.1067  -13.2710
            65  C1y C    15.4923  -24.6110
            66  C1b C    14.2938  -22.5273
            67  O1a O    16.6850  -26.7031
            68  C1y C    25.0991  -12.5778
            69  O1a O    14.2879  -25.2983
            70  C1y C    25.0991  -11.1988
            71  C1y C    26.2849  -13.2710
            72  O2x O    26.2849  -10.5185
            73  C1b C    23.9135  -10.5185
            74  C1y C    27.4892  -12.5778
            75  O1a O    26.2976  -14.6570
            76  C1y C    27.4892  -11.1988
            77  O1a O    22.8510  -11.3981
            78  O1a O    28.6877  -13.2710
            79  O1a O    17.8868  -13.9811
            80  O1a O    15.5191  -18.1326
            81  O1a O    13.0682  -23.2411
BOND        85
            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   33  34 1
            12   11  12 1
            13   11  13 1 #Down
            14   11  14 1
            15   12  15 1
            16   12  16 1 #Up
            17   13  17 1
            18   14  18 1
            19   15  19 2
            20   17  20 2
            21   17  21 1
            22   19  22 1
            23   22  23 1
            24   23  24 1
            25   24  25 1
            26   25  26 1
            27   26  27 1
            28   27  28 1
            29   28  29 1
            30   29  30 1
            31   30  31 1
            32   31  32 1
            33   32  33 1
            34   35  36 1
            35   35  37 1
            36   35  38 1 #Down
            37   36  39 1 #Up
            38   36  40 1
            39   37  41 1 #Up
            40   37  42 1
            41   38  43 1
            42   44  39 1 #Up
            43   40  45 1
            44   46  41 1 #Up
            45   42  47 1 #Down
            46   43  48 1
            47   43  49 2
            48   44  50 1
            49   44  51 1
            50   45  52 1 #Up
            51   46  53 1
            52   46  54 1
            53   50  55 1
            54   50  56 1 #Down
            55   51  57 1
            56   51  58 1 #Up
            57   53  59 1
            58   54  60 1
            59   54  61 1 #Down
            60   55  62 1 #Up
            61   55  63 1
            62   57  64 1 #Up
            63   59  65 1
            64   59  66 1 #Up
            65   60  67 1 #Up
            66   68  62 1 #Down
            67   65  69 1 #Up
            68   68  70 1
            69   68  71 1
            70   70  72 1
            71   70  73 1 #Up
            72   71  74 1
            73   71  75 1 #Up
            74   72  76 1
            75   73  77 1
            76   74  78 1 #Down
            77   76  18 1 #Up
            78   42  45 1
            79   57  63 1
            80   60  65 1
            81   74  76 1
            82   64  79 1
            83   52  80 1
            84   66  81 1
            85    7  47 1 #Up

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