KEGG   COMPOUND: C22477
Entry
C22477                      Compound                               
Name
Type IIIA glycolipid;
GalNAc-alpha1->3(Fuc-alpha1->2)Gal-beta1->3GalNAc-alpha1->3(Fuc-alpha1->2)Gal-beta1->4GlcNAc-beta1->3Gal-beta1->4Glc-beta1->1'Cer
Formula
C79H135N4O46R
Structure
Remark
Same as: G00059
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)
    G00059  GalNAc-alpha1->3(Fuc-alpha1->2)Gal-beta1->3GalNAc-alpha1->3(Fuc-alpha1->2)Gal-beta1->4GlcNAc-beta1->3Gal-beta1->4Glc-beta1->1'Cer (Type 3A)
Blood groups and carbohydrate antigens [br08110.html]
 ABO blood group
  G00059
Glycan epitopes [br08111.html]
 G00059
Other DBs
PubChem: 497619836
LinkDB
KCF data

ATOM        130
            1   C1y C    24.9523  -41.2754
            2   C1y C    23.7554  -41.9795
            3   C1y C    24.9523  -39.8672
            4   C1y C    22.5584  -41.2754
            5   O2x O    23.7554  -39.1631
            6   C1y C    22.5584  -39.8672
            7   O1a O    21.5023  -41.9795
            8   C1b C    21.5023  -39.1631
            9   O1a O    20.4462  -40.0785
            10  N1b N    26.2197  -42.1195
            11  O1a O    23.7554  -43.3172
            12  C5a C    26.2197  -43.5272
            13  O5a O    25.0227  -44.1609
            14  C1a C    27.4166  -44.1609
            15  C1y C    29.5838  -37.9805
            16  C1y C    30.8967  -38.6370
            17  O2x O    28.4898  -38.6370
            18  C1y C    30.8967  -40.0958
            19  O1a O    32.0638  -37.9805
            20  C1y C    28.4898  -40.0958
            21  C1y C    29.5838  -40.8251
            22  O1a O    32.0638  -40.8251
            23  C1a C    27.6056  -40.8251
            24  O1a O    29.5838  -42.2110
            25  C1y C    26.3610  -37.5839
            26  C1y C    27.5404  -36.8902
            27  C1y C    25.1815  -36.8902
            28  C1y C    27.5404  -35.5027
            29  O2a O    29.5838  -36.6752
            30  C1y C    25.1815  -35.5027
            31  O1a O    24.0021  -37.5839
            32  O2x O    26.3610  -34.8782
            33  C1b C    24.0021  -34.8782
            34  O1a O    22.8921  -35.6414
            35  O2a O    26.3610  -39.1122
            36  C1y C    29.5524  -31.7562
            37  C1y C    28.3729  -32.4500
            38  C1y C    29.5524  -30.3686
            39  C1y C    27.1935  -31.7562
            40  O2x O    28.3729  -29.6749
            41  C1y C    27.1935  -30.3686
            42  O1a O    26.0835  -32.4500
            43  C1b C    26.0835  -29.6749
            44  O1a O    25.0428  -30.5768
            45  N1b N    30.8012  -32.4500
            46  C1y C    32.2581  -25.9284
            47  O2x O    31.0093  -25.2347
            48  C1y C    32.2581  -27.2466
            49  C1y C    29.8299  -25.9284
            50  C1y C    31.0093  -27.9404
            51  O2a O    35.0276  -27.4542
            52  C1y C    29.8299  -27.2466
            53  C1b C    28.7198  -25.2347
            54  O2a O    31.0093  -29.2586
            55  O1a O    28.7198  -27.8711
            56  C1y C    35.0276  -28.6980
            57  C1y C    36.2764  -29.3224
            58  O2x O    33.9869  -29.3224
            59  C1y C    36.2764  -30.7100
            60  O1a O    37.3864  -28.6980
            61  C1y C    33.9869  -30.7100
            62  C1y C    35.0976  -31.4038
            63  O1a O    37.3864  -31.4038
            64  C1a C    32.9462  -31.4038
            65  O1a O    35.0976  -32.7219
            66  O1a O    27.5404  -25.9284
            67  C5a C    30.8012  -33.8375
            68  O5a O    29.6217  -34.4620
            69  C1a C    31.9806  -34.4620
            70  C1y C    36.5595  -23.9166
            71  C1y C    36.5595  -22.5289
            72  C1y C    35.3801  -24.5409
            73  N1b N    37.9471  -24.8184
            74  O2a O    37.7390  -21.8352
            75  O2x O    35.3801  -21.8352
            76  O1a O    35.3801  -25.9284
            77  C1y C    34.2001  -23.9166
            78  C5a C    37.9471  -26.1366
            79  C1y C    37.7390  -20.5864
            80  C1y C    34.2001  -22.5289
            81  O2a O    33.0906  -24.5409
            82  C1a C    39.1265  -26.6916
            83  O5a O    36.8370  -26.8304
            84  C1y C    38.9184  -19.8232
            85  C1y C    36.5595  -19.8232
            86  C1b C    33.0906  -21.8352
            87  C1y C    38.9184  -18.5050
            88  O1a O    40.3059  -20.7945
            89  C1y C    36.5595  -18.5050
            90  O1a O    35.3801  -20.5170
            91  O2x O    37.7390  -17.8806
            92  C1b C    35.3801  -17.8806
            93  O1a O    31.9112  -22.5289
            94  O1a O    34.2701  -18.5744
            95  C1c C    47.0356  -15.1749
            96  C1c C    48.2150  -15.8686
            97  N1b N    47.0356  -13.7873
            98  C1b C    45.8562  -15.8686
            99  C2b C    49.3251  -15.1749
            100 O1a O    48.2150  -17.1869
            101 C5a C    48.2150  -13.1629
            102 O2a O    44.6768  -15.1749
            103 C2b C    50.5739  -15.7992
            104 O5a O    48.2150  -11.7754
            105 R   R    49.3251  -13.7873
            106 C1b C    51.6839  -15.1055
            107 C1b C    52.9327  -15.7992
            108 C1b C    54.0428  -15.1055
            109 C1b C    55.2916  -15.7992
            110 C1b C    56.4016  -15.1055
            111 C1b C    57.5810  -15.7299
            112 C1b C    58.8298  -15.0361
            113 C1b C    59.9399  -15.7299
            114 C1b C    61.1887  -15.0361
            115 C1b C    62.2987  -15.7299
            116 C1b C    63.4782  -14.9668
            117 C1b C    64.6576  -15.6605
            118 C1a C    65.8371  -14.9668
            119 O2a O    40.0978  -17.8806
            120 C1y C    41.2079  -17.1869
            121 C1y C    41.2079  -15.8686
            122 C1y C    42.3873  -17.8806
            123 O2x O    42.3873  -15.1749
            124 C1b C    40.0978  -15.1749
            125 C1y C    43.4973  -17.1869
            126 O1a O    42.3873  -19.1294
            127 C1y C    43.4973  -15.8686
            128 O1a O    38.9878  -16.0768
            129 O1a O    44.6768  -17.8806
            130 O2a O    28.3729  -33.8375
BOND        138
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     4   6 1
            6     4   7 1 #Up
            7     6   8 1 #Up
            8     8   9 1
            9     5   6 1
            10    1  10 1 #Down
            11   10  12 1
            12   12  13 2
            13   12  14 1
            14    2  11 1 #Up
            15   15  16 1
            16   15  17 1
            17   16  18 1
            18   16  19 1 #Up
            19   17  20 1
            20   18  21 1
            21   18  22 1 #Down
            22   20  23 1 #Down
            23   21  24 1 #Down
            24   20  21 1
            25   25  26 1
            26   25  27 1
            27   26  28 1
            28   26  29 1 #Down
            29   27  30 1
            30   27  31 1 #Up
            31   28  32 1
            32   30  33 1 #Up
            33   30  32 1
            34   33  34 1
            35   25  35 1 #Up
            36   36  37 1
            37   36  38 1
            38   37  39 1
            39   38  40 1
            40   39  41 1
            41   39  42 1 #Up
            42   41  43 1 #Up
            43   43  44 1
            44   40  41 1
            45   36  45 1 #Down
            46   46  47 1
            47   46  48 1
            48   47  49 1
            49   48  50 1
            50   48  51 1 #Down
            51   49  52 1
            52   49  53 1 #Up
            53   50  54 1 #Up
            54   52  55 1 #Up
            55   50  52 1
            56   56  51 1 #Up
            57   56  57 1
            58   56  58 1
            59   57  59 1
            60   57  60 1 #Up
            61   58  61 1
            62   59  62 1
            63   59  63 1 #Down
            64   61  64 1 #Down
            65   62  65 1 #Down
            66   61  62 1
            67   53  66 1
            68   38  54 1 #Down
            69   45  67 1
            70   67  68 2
            71   67  69 1
            72   70  71 1
            73   70  72 1
            74   70  73 1 #Down
            75   71  74 1 #Up
            76   71  75 1
            77   72  76 1 #Up
            78   72  77 1
            79   73  78 1
            80   79  74 1 #Up
            81   75  80 1
            82   77  81 1 #Down
            83   78  82 1
            84   78  83 2
            85   79  84 1
            86   79  85 1
            87   80  86 1 #Up
            88   84  87 1
            89   84  88 1 #Down
            90   85  89 1
            91   85  90 1 #Up
            92   87  91 1
            93   89  92 1 #Up
            94   77  80 1
            95   89  91 1
            96   86  93 1
            97   92  94 1
            98  117 118 1
            99   95  96 1
            100  95  97 1 #Down
            101  95  98 1
            102  96  99 1
            103  96 100 1 #Up
            104  97 101 1
            105  98 102 1
            106  99 103 2
            107 101 104 2
            108 101 105 1
            109 103 106 1
            110 106 107 1
            111 107 108 1
            112 108 109 1
            113 109 110 1
            114 110 111 1
            115 111 112 1
            116 112 113 1
            117 113 114 1
            118 114 115 1
            119 115 116 1
            120 116 117 1
            121 120 119 1 #Down
            122 120 121 1
            123 120 122 1
            124 121 123 1
            125 121 124 1 #Up
            126 122 125 1
            127 122 126 1 #Up
            128 123 127 1
            129 124 128 1
            130 125 129 1 #Down
            131 127 102 1 #Up
            132 125 127 1
            133  87 119 1 #Up
            134  46  81 1 #Up
            135  37 130 1 #Up
            136  28 130 1 #Up
            137  15  29 1 #Up
            138   3  35 1 #Down

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