KEGG   COMPOUND: C22479
Entry
C22479                      Compound                               
Name
Fuc-alpha1->4(Gal-alpha1->3(Fuc-alpha1->2)Gal-beta1->3)GlcNAc-beta1->3LacCer;
Fuc-alpha1->4(Gal-alpha1->3(Fuc-alpha1->2)Gal-beta1->3)GlcNAc-beta1->3Gal-beta1->4Glc-beta1->1'Cer;
BLeb glycolipid
Formula
C63H109N2O36R
Structure
Remark
Same as: G00040
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)
    G00040  Fuc-alpha1->4(Gal-alpha1->3(Fuc-alpha1->2)Gal-beta1->3)GlcNAc-beta1->3LacCer
Blood groups and carbohydrate antigens [br08110.html]
 Lewis blood group
  G00040
Glycan epitopes [br08111.html]
 G00040
Other DBs
PubChem: 497619838
LinkDB
KCF data

ATOM        102
            1   C1y C    17.3888  -24.3123
            2   C1y C    17.3888  -25.7084
            3   C1y C    18.5978  -26.4065
            4   C1y C    19.8069  -25.7084
            5   C1y C    19.8069  -24.3123
            6   O2x O    18.5978  -23.6143
            7   O1a O    21.0346  -26.4174
            8   O1a O    18.5978  -27.8023
            9   O1a O    16.1797  -26.4065
            10  C1a C    16.1797  -23.6143
            11  C1c C    39.9282  -13.3264
            12  C1c C    41.1226  -14.0290
            13  N1b N    39.8579  -11.9213
            14  C1b C    38.6636  -14.0290
            15  C2b C    42.3169  -13.3264
            16  O1a O    41.1226  -15.4341
            17  C5a C    41.1226  -11.2187
            18  O2a O    37.4692  -13.3264
            19  C2b C    43.5815  -13.9587
            20  O5a O    41.0523   -9.8136
            21  R   R    42.3169  -11.9213
            22  C1b C    44.7759  -13.2562
            23  C1b C    46.0405  -13.9587
            24  C1b C    47.2349  -13.2562
            25  C1b C    48.4995  -13.9587
            26  C1b C    49.6938  -13.2562
            27  C1b C    50.8882  -13.8885
            28  C1b C    52.1528  -13.1859
            29  C1b C    53.3472  -13.8885
            30  C1b C    54.6118  -13.1859
            31  C1b C    55.8061  -13.8885
            32  C1b C    57.0005  -13.1156
            33  C1b C    58.2651  -13.8182
            34  C1a C    59.4595  -13.1156
            35  C1y C    29.1087  -22.3895
            36  C1y C    29.1087  -20.9844
            37  C1y C    27.9144  -23.0920
            38  N1b N    30.5841  -23.3731
            39  O2a O    30.3031  -20.2818
            40  O2x O    27.9144  -20.2818
            41  O2a O    27.9144  -24.4972
            42  C1y C    26.7200  -22.3895
            43  C5a C    30.5841  -24.7079
            44  C1y C    30.3031  -18.8769
            45  C1y C    26.7200  -20.9844
            46  C1y C    26.7200  -25.1997
            47  O2a O    22.6556  -23.2320
            48  C1a C    31.7785  -25.2700
            49  O5a O    29.3897  -25.3402
            50  C1y C    31.5677  -18.1741
            51  C1y C    29.1087  -18.1741
            52  C1b C    25.5256  -20.2818
            53  O2x O    25.4554  -24.4972
            54  C1y C    26.7200  -26.5346
            55  C1y C    31.5677  -16.7690
            56  O1a O    32.9728  -19.1577
            57  C1y C    29.1087  -16.7690
            58  O1a O    27.9144  -18.8767
            59  C1y C    24.2610  -25.1997
            60  C1y C    25.4554  -27.2372
            61  O2a O    27.9144  -27.1669
            62  O2a O    32.7620  -16.1367
            63  O2x O    30.3031  -16.1367
            64  C1b C    27.9144  -16.1367
            65  C1y C    24.2610  -26.5346
            66  C1b C    23.0667  -24.4972
            67  O2a O    25.4554  -28.5720
            68  C1y C    33.9564  -15.4341
            69  O1a O    23.0667  -27.1669
            70  C1y C    33.9564  -14.0290
            71  C1y C    35.1508  -16.0667
            72  O2x O    35.1508  -13.3264
            73  C1b C    32.7620  -13.3264
            74  C1y C    36.3451  -15.4341
            75  O1a O    35.1508  -17.4715
            76  C1y C    36.3451  -14.0290
            77  O1a O    31.6379  -14.2397
            78  O1a O    37.4692  -16.1367
            79  C1y C    27.9144  -28.9936
            80  C1y C    29.1790  -29.6961
            81  O2x O    26.7903  -29.6961
            82  C1y C    29.1790  -31.1013
            83  O1a O    30.3733  -28.9936
            84  C1y C    26.7903  -31.1013
            85  C1y C    27.9144  -31.8038
            86  O1a O    30.3733  -31.8038
            87  C1a C    26.0174  -32.3659
            88  O1a O    27.9144  -33.2090
            89  C1y C    24.2610  -29.2746
            90  O2x O    23.0667  -28.5720
            91  C1y C    24.2610  -30.6797
            92  C1y C    21.8020  -29.2746
            93  C1y C    23.0667  -31.3823
            94  C1y C    21.8020  -30.6797
            95  C1b C    20.6779  -28.5720
            96  O1a O    23.0667  -32.7874
            97  O1a O    20.6779  -31.3823
            98  O1a O    25.4105  -30.8153
            99  O1a O    19.4375  -29.2598
            100 O1a O    21.8756  -25.1789
            101 O1a O    24.3212  -20.9709
            102 O1a O    26.7121  -16.8604
BOND        108
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1 #Up
            8     3   8 1 #Down
            9     2   9 1 #Down
            10    1  10 1 #Down
            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   79  61 1 #Up
            83   79  80 1
            84   79  81 1
            85   80  82 1
            86   80  83 1 #Up
            87   81  84 1
            88   82  85 1
            89   82  86 1 #Down
            90   84  87 1 #Down
            91   85  88 1 #Down
            92   84  85 1
            93   89  67 1 #Down
            94   89  90 1
            95   89  91 1
            96   90  92 1
            97   91  93 1
            98   92  94 1
            99   92  95 1 #Up
            100  93  96 1 #Up
            101  94  97 1 #Up
            102  93  94 1
            103  91  98 1 #Down
            104  95  99 1
            105  66 100 1
            106  52 101 1
            107  64 102 1
            108   5  47 1 #Up

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