KEGG   COMPOUND: C04911
Entry
C04911                      Compound                               
Name
D-Galactosyl-N-acetyl-D-galactosaminyl-(N-acetylneuraminyl)-D-galactosyl-D-glucosylceramide;
GM1;
GM1a;
D-Galactosyl-1,3-beta-N-acetyl-D-galactosaminyl-(N-acetylneuraminyl)-D-galactosyl-D-glucosyl-N-acylsphingosine;
Gal-beta1->3GalNAc-beta1->4(Neu5Ac-alpha2->3)Gal-beta1->4Glc-beta1->1'Cer
Formula
C56H96N3O31R
Structure
Remark
Same as: G00110
Comment
Generic compound in reaction hierarchy
Reaction
R04631 R04633 R04647 R04648 R04649 R04650
Pathway
map00600  Sphingolipid metabolism
map00604  Glycosphingolipid biosynthesis - ganglio series
map01100  Metabolic pathways
map04517  IgSF CAM signaling
map05110  Vibrio cholerae infection
Network
nt06014  Sphingolipid degradation
nt06546  IgSF CAM signaling
Enzyme
2.4.1.62        2.4.3.2         2.4.3.8         2.4.3.9         
3.2.1.18        3.2.1.23
Brite
Compounds with biological roles [BR:br08001]
 Lipids
  Glycolipids
   Glycosphingolipids
    C04911  GM1
Lipids [BR:br08002]
 SP  Sphingolipids
  SP06 Acidic glycosphingolipids
   SP0601 Gangliosides
    G00110  Gal-beta1->3GalNAc-beta1->4(Neu5Ac-alpha2->3)Gal-beta1->4Glc-beta1->1'Cer (GM1a)
Other DBs
PubChem: 7461
LinkDB
KCF data

ATOM        91
            1   C1z C    15.6187  -19.4461
            2   O2a O    13.1572  -17.0310
            3   O2x O    15.6187  -20.8395
            4   C1x C    16.7798  -18.7495
            5   C6a C    14.4112  -19.7713
            6   C1y C    13.1572  -15.7770
            7   C1y C    16.8264  -21.4896
            8   C1y C    17.9874  -19.4461
            9   C1y C    11.9960  -15.0803
            10  C1y C    14.3646  -15.0803
            11  C1y C    17.9874  -20.7930
            12  C1c C    16.8264  -22.8829
            13  O1a O    19.1486  -18.7495
            14  C1y C    11.9960  -13.6869
            15  O2a O    10.7886  -15.7306
            16  C1y C    14.3646  -13.6869
            17  O1a O    15.5259  -15.7770
            18  N1b N    19.1486  -21.4896
            19  C1c C    15.6651  -23.5333
            20  O1a O    18.0338  -23.5333
            21  O2x O    13.1572  -13.0368
            22  C1b C    10.7886  -13.0368
            23  C1y C     9.5810  -16.4736
            24  O2a O    15.5259  -13.0368
            25  C5a C    20.3561  -20.7930
            26  O1a O    14.5040  -22.8829
            27  C1b C    15.6651  -24.8801
            28  C1y C     9.5810  -17.8669
            29  O2x O     8.3734  -15.7770
            30  C1y C    16.6870  -12.3401
            31  O5a O    20.3561  -19.3996
            32  C1a C    21.5172  -21.4433
            33  O1a O    14.5040  -25.5768
            34  C1y C     8.3734  -18.5636
            35  N1b N    10.7886  -18.5636
            36  C1y C     7.1658  -16.4736
            37  C1y C    16.6870  -10.9932
            38  C1y C    17.8946  -13.0368
            39  C1y C     7.1658  -17.8669
            40  O2a O     8.3734  -19.9106
            41  C5a C    10.7886  -19.9570
            42  C1b C     5.9583  -15.8234
            43  O2x O    17.8946  -10.2965
            44  C1b C    15.5259  -10.2965
            45  C1y C    19.0557  -12.3401
            46  O1a O    17.8481  -14.3836
            47  O1a O     5.9583  -18.5636
            48  C1a C    11.9960  -20.6537
            49  O5a O     9.5810  -20.6537
            50  C1y C    19.0557  -10.9932
            51  O1a O    20.2632  -13.0368
            52  O2a O    20.2632  -10.2965
            53  C1b C    21.4708  -10.9932
            54  C1c C    22.6319  -10.2500
            55  C1c C    23.8394  -10.9467
            56  N1b N    22.6319   -8.9032
            57  C2b C    25.0471  -10.2500
            58  O1a O    23.8859  -12.3865
            59  C5a C    23.7930   -8.1601
            60  C2b C    26.2545  -10.9467
            61  O5a O    23.7930   -6.8132
            62  R   R    25.0005   -8.8568
            63  C1b C    27.4621  -10.2035
            64  C1b C    28.6697  -10.9002
            65  C1b C    29.8772  -10.2035
            66  C1b C    31.0849  -10.8539
            67  C1b C    32.2925  -10.1573
            68  C1b C    33.5000  -10.8539
            69  C1b C    34.7075  -10.1573
            70  C1b C    35.9151  -10.8073
            71  C1b C    37.1227  -10.1107
            72  C1b C    38.3302  -10.8073
            73  C1b C    39.5378  -10.1107
            74  C1b C    40.7453  -10.7610
            75  C1a C    41.9528  -10.0643
            76  O6a O    13.4359  -18.7959
            77  O6a O    14.0397  -21.1181
            78  O1a O    14.3076  -10.9727
            79  O1a O     9.6031  -13.7688
            80  O1a O     4.7727  -16.5555
            81  C1y C     7.1570  -20.6128
            82  O2x O     5.9529  -19.9176
            83  C1y C     4.7406  -20.6175
            84  C1y C     4.7406  -22.0173
            85  C1y C     5.9447  -22.7125
            86  C1y C     7.1570  -22.0126
            87  C1b C     3.5270  -19.9169
            88  O1a O     3.5222  -22.7208
            89  O1a O     5.9447  -24.1225
            90  O1a O     8.3774  -22.7172
            91  O1a O     2.3086  -20.6203
BOND        95
            1     1   2 1 #Down
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     6   2 1 #Up
            6     3   7 1
            7     4   8 1
            8     6   9 1
            9     6  10 1
            10    7  11 1
            11    7  12 1
            12    8  13 1 #Down
            13    9  14 1
            14    9  15 1 #Up
            15   10  16 1
            16   10  17 1 #Down
            17   11  18 1 #Up
            18   12  19 1
            19   12  20 1 #Down
            20   14  21 1
            21   14  22 1 #Up
            22   23  15 1 #Up
            23   16  24 1 #Up
            24   18  25 1
            25   19  26 1 #Up
            26   19  27 1
            27   23  28 1
            28   23  29 1
            29   30  24 1 #Down
            30   25  31 2
            31   25  32 1
            32   27  33 1
            33   28  34 1
            34   28  35 1 #Down
            35   29  36 1
            36   30  37 1
            37   30  38 1
            38   34  39 1
            39   34  40 1 #Up
            40   35  41 1
            41   36  42 1 #Up
            42   37  43 1
            43   37  44 1 #Up
            44   38  45 1
            45   38  46 1 #Up
            46   39  47 1 #Up
            47   41  48 1
            48   41  49 2
            49   43  50 1
            50   45  51 1 #Down
            51   50  52 1 #Up
            52    8  11 1
            53   16  21 1
            54   36  39 1
            55   45  50 1
            56   52  53 1
            57   53  54 1
            58   54  55 1
            59   54  56 1 #Down
            60   55  57 1
            61   55  58 1 #Up
            62   56  59 1
            63   57  60 2
            64   59  61 2
            65   59  62 1
            66   60  63 1
            67   63  64 1
            68   64  65 1
            69   65  66 1
            70   66  67 1
            71   67  68 1
            72   68  69 1
            73   69  70 1
            74   70  71 1
            75   71  72 1
            76   72  73 1
            77   73  74 1
            78   74  75 1
            79    5  76 1
            80    5  77 2
            81   44  78 1
            82   22  79 1
            83   42  80 1
            84   81  40 1 #Up
            85   81  82 1
            86   82  83 1
            87   83  84 1
            88   84  85 1
            89   85  86 1
            90   81  86 1
            91   83  87 1 #Up
            92   84  88 1 #Up
            93   85  89 1 #Up
            94   86  90 1 #Down
            95   87  91 1

» Japanese version

KEGG   COMPOUND: C04927
Entry
C04927                      Compound                               
Name
N-Acetylneuraminyl-D-galactosyl-N-acetyl-D-galactosaminyl-(N-acetylneuraminyl)-D-galactosyl-D-glucosylceramide;
GD1a;
NeuAc-alpha2->3Gal-beta1->3GalNAc-beta1->4(NeuAc-alpha2->3)LacCer;
NeuAc-alpha2->3Gal-beta1->3GalNAc-beta1->4(NeuAc-alpha2->3)Gal-beta1->4Glc-beta1->1'Cer
Formula
C67H113N4O39R
Structure
Remark
Same as: G00111
Comment
Generic compound in reaction hierarchy
Reaction
R04648 R04650 R04660 R04661
Pathway
map00604  Glycosphingolipid biosynthesis - ganglio series
map01100  Metabolic pathways
map04517  IgSF CAM signaling
Network
nt06546  IgSF CAM signaling
Enzyme
2.4.3.2         2.4.3.8         2.4.99.-        3.2.1.18
Brite
Lipids [BR:br08002]
 SP  Sphingolipids
  SP06 Acidic glycosphingolipids
   SP0601 Gangliosides
    G00111  Neu5Ac-alpha2->3Gal-beta1->3GalNAc-beta1->4(Neu5Ac-alpha2->3)Gal-beta1->4Glc-beta1->1'Cer (GD1a)
Cancer-associated carbohydrates [br08441.html]
 Glycosphingolipid
  G00111
Other DBs
PubChem: 7473
LinkDB
KCF data

ATOM        111
            1   C1z C    17.8869  -19.6890
            2   O2a O    15.4260  -17.2745
            3   O2x O    17.8869  -21.0819
            4   C1x C    19.0477  -18.9925
            5   C6a C    16.6797  -20.0140
            6   C1y C    15.4260  -16.0208
            7   C1y C    19.0942  -21.6856
            8   C1y C    20.2549  -19.6890
            9   C1y C    14.3116  -15.3243
            10  C1y C    16.6332  -15.3243
            11  C1y C    20.2549  -21.0355
            12  C1c C    19.0942  -23.0786
            13  O1a O    21.4158  -18.9925
            14  C1y C    14.3116  -13.9314
            15  O2a O    13.1044  -15.9744
            16  C1y C    16.6332  -13.9314
            17  O1a O    17.7940  -16.0208
            18  N1b N    21.4158  -21.6856
            19  C1c C    17.9333  -23.7286
            20  O1a O    20.3014  -23.7286
            21  O2x O    15.4260  -13.2813
            22  C1b C    13.1044  -13.2813
            23  C1y C    11.8971  -16.7173
            24  O2a O    17.7940  -13.2813
            25  C5a C    22.6230  -21.0355
            26  O1a O    16.7725  -23.0786
            27  C1b C    17.9333  -25.0751
            28  C1y C    11.8971  -18.1102
            29  O2x O    10.6899  -16.0208
            30  C1y C    18.9549  -12.5849
            31  O5a O    22.6230  -19.6425
            32  C1a C    23.7838  -21.6391
            33  O1a O    16.7725  -25.7715
            34  C1y C    10.6899  -18.8067
            35  N1b N    13.1044  -18.8067
            36  C1y C     9.4827  -16.7173
            37  C1y C    18.9549  -11.2847
            38  C1y C    20.1621  -13.2813
            39  C1y C     9.4827  -18.1102
            40  O2a O    10.6899  -20.1533
            41  C5a C    13.1044  -20.1997
            42  C1b C     8.2754  -16.0673
            43  O2x O    20.1621  -10.5882
            44  C1b C    17.7940  -10.5882
            45  C1y C    21.3229  -12.5849
            46  O1a O    20.1156  -14.6278
            47  O1a O     8.2754  -18.8067
            48  C1a C    14.3116  -20.8962
            49  O5a O    11.8971  -20.8962
            50  C1y C    21.3229  -11.2847
            51  O1a O    22.5301  -13.2813
            52  O2a O    22.5301  -10.5882
            53  C1b C    23.7373  -11.2847
            54  C1c C    24.8517  -10.5419
            55  C1c C    26.0590  -11.2384
            56  N1b N    24.8517   -9.1953
            57  C2b C    27.2662  -10.5419
            58  O1a O    26.1054  -12.6313
            59  C5a C    26.0125   -8.4524
            60  C2b C    28.4734  -11.2384
            61  O5a O    26.0125   -7.1058
            62  R   R    27.2197   -9.1489
            63  C1b C    29.6807  -10.4954
            64  C1b C    30.8879  -11.1919
            65  C1b C    32.0951  -10.4954
            66  C1b C    33.3024  -11.1454
            67  C1b C    34.4631  -10.4489
            68  C1b C    35.6704  -11.1454
            69  C1b C    36.8776  -10.4489
            70  C1b C    38.0849  -11.0991
            71  C1b C    39.2922  -10.4026
            72  C1b C    40.4994  -11.0991
            73  C1b C    41.7066  -10.4026
            74  C1b C    42.9139  -11.0526
            75  C1a C    44.0746  -10.3561
            76  O6a O    15.7046  -19.0390
            77  O6a O    16.3083  -21.3605
            78  O1a O    16.5868  -11.2384
            79  O1a O    11.8971  -14.0243
            80  O1a O     7.1147  -16.8102
            81  C1y C     9.4827  -20.8498
            82  O2x O     8.2754  -20.1533
            83  C1y C     7.0682  -20.8498
            84  C1y C     7.0682  -22.2428
            85  C1y C     8.2754  -22.9393
            86  C1y C     9.4827  -22.2428
            87  C1b C     5.8610  -20.1533
            88  O1a O     5.9074  -22.9856
            89  O2a O     8.2754  -24.3322
            90  O1a O    10.6899  -22.9393
            91  O1a O     4.6537  -20.8498
            92  C1z C     6.5575  -25.3537
            93  O2x O     5.3967  -24.6572
            94  C1x C     6.5575  -26.7466
            95  C6a C     7.7647  -25.9573
            96  C1y C     4.1895  -25.3537
            97  C1y C     5.3967  -27.4431
            98  O6a O     8.9255  -25.2608
            99  O6a O     7.7647  -27.3967
            100 C1y C     4.1895  -26.7466
            101 O1a O     5.3967  -28.7897
            102 C1c C     2.9822  -24.6108
            103 C1c C     2.9822  -23.2178
            104 C1b C     1.7285  -22.4749
            105 O1a O     1.7285  -21.0355
            106 O1a O     1.7285  -25.3537
            107 O1a O     4.1895  -22.4749
            108 N1b N     2.9822  -27.4431
            109 C5a C     2.9822  -28.8825
            110 C1a C     1.7285  -29.5790
            111 O5a O     4.1895  -29.5790
BOND        116
            1     1   2 1 #Down
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     6   2 1 #Up
            6     3   7 1
            7     4   8 1
            8     6   9 1
            9     6  10 1
            10    7  11 1
            11    7  12 1
            12    8  13 1 #Down
            13    9  14 1
            14    9  15 1 #Up
            15   10  16 1
            16   10  17 1 #Down
            17   11  18 1 #Up
            18   12  19 1
            19   12  20 1 #Down
            20   14  21 1
            21   14  22 1 #Up
            22   23  15 1 #Up
            23   16  24 1 #Up
            24   18  25 1
            25   19  26 1 #Up
            26   19  27 1
            27   23  28 1
            28   23  29 1
            29   30  24 1 #Down
            30   25  31 2
            31   25  32 1
            32   27  33 1
            33   28  34 1
            34   28  35 1 #Down
            35   29  36 1
            36   30  37 1
            37   30  38 1
            38   34  39 1
            39   34  40 1 #Up
            40   35  41 1
            41   36  42 1 #Up
            42   37  43 1
            43   37  44 1 #Up
            44   38  45 1
            45   38  46 1 #Up
            46   39  47 1 #Up
            47   41  48 1
            48   41  49 2
            49   43  50 1
            50   45  51 1 #Down
            51   50  52 1 #Up
            52    8  11 1
            53   16  21 1
            54   36  39 1
            55   45  50 1
            56   52  53 1
            57   53  54 1
            58   54  55 1
            59   54  56 1 #Down
            60   55  57 1
            61   55  58 1 #Up
            62   56  59 1
            63   57  60 2
            64   59  61 2
            65   59  62 1
            66   60  63 1
            67   63  64 1
            68   64  65 1
            69   65  66 1
            70   66  67 1
            71   67  68 1
            72   68  69 1
            73   69  70 1
            74   70  71 1
            75   71  72 1
            76   72  73 1
            77   73  74 1
            78   74  75 1
            79    5  76 1
            80    5  77 2
            81   44  78 1
            82   22  79 1
            83   42  80 1
            84   81  40 1 #Up
            85   81  82 1
            86   82  83 1
            87   83  84 1
            88   84  85 1
            89   85  86 1
            90   81  86 1
            91   83  87 1 #Up
            92   84  88 1 #Up
            93   85  89 1 #Up
            94   86  90 1 #Down
            95   87  91 1
            96   92  93 1
            97   92  89 1 #Down
            98   92  94 1
            99   92  95 1 #Up
            100  93  96 1
            101  94  97 1
            102  95  98 1
            103  95  99 2
            104  96 100 1
            105  97 101 1 #Down
            106  97 100 1
            107  96 102 1
            108 102 103 1
            109 103 104 1
            110 104 105 1
            111 102 106 1 #Down
            112 103 107 1 #Up
            113 100 108 1 #Up
            114 108 109 1
            115 109 110 1
            116 109 111 2

» Japanese version

KEGG   COMPOUND: C06141
Entry
C06141                      Compound                               
Name
GD1b;
Gal-beta1->3GalNAc-beta1->4(Neu5Ac-alpha2->8Neu5Ac-alpha2->3)Gal-beta1->4Glc-beta1->1'Cer;
Gal-beta1->3GalNAc-beta1->4(Neu5Ac-alpha2->8Neu5Ac-alpha2->3)LacCer
Formula
C67H113N4O39R
Structure
Remark
Same as: G00115
Comment
Generic compound in reaction hierarchy
Reaction
R04649 R05110 R05116 R05117
Pathway
map00604  Glycosphingolipid biosynthesis - ganglio series
map01100  Metabolic pathways
map04517  IgSF CAM signaling
Network
nt06546  IgSF CAM signaling
Enzyme
2.4.1.62        2.4.3.2         2.4.3.8         3.2.1.18
Brite
Lipids [BR:br08002]
 SP  Sphingolipids
  SP06 Acidic glycosphingolipids
   SP0601 Gangliosides
    G00115  Gal-beta1->3GalNAc-beta1->4(Neu5Ac-alpha2->8Neu5Ac-alpha2->3)Gal-beta1->4Glc-beta1->1'Cer (GD1b)
Other DBs
PubChem: 8397
LinkDB
KCF data

ATOM        111
            1   C1z C    18.7600  -18.9000
            2   O2a O    16.3333  -16.5667
            3   O2x O    18.7600  -20.3000
            4   C1x C    19.8800  -18.2467
            5   C6a C    17.5467  -19.2267
            6   C1y C    16.3333  -15.3067
            7   C1y C    19.9267  -20.9533
            8   C1y C    21.0933  -18.9000
            9   C1y C    15.1667  -14.6067
            10  C1y C    17.5000  -14.6067
            11  C1y C    21.0933  -20.2533
            12  C1c C    19.9267  -22.3067
            13  O1a O    22.2133  -18.2467
            14  C1y C    15.1667  -13.2533
            15  O2a O    14.0000  -15.2600
            16  C1y C    17.5000  -13.2533
            17  O1a O    18.6667  -15.3067
            18  N1b N    22.2133  -20.9533
            19  C1c C    18.8067  -22.9600
            20  O1a O    21.1400  -22.9600
            21  O2x O    16.3333  -12.6000
            22  C1b C    14.0000  -12.6000
            23  C1y C    12.7867  -16.0067
            24  O2a O    18.6667  -12.6000
            25  C5a C    23.4267  -20.2533
            26  O2a O    17.6400  -22.3067
            27  C1b C    18.8067  -24.2667
            28  C1y C    12.7867  -17.3600
            29  O2x O    11.6200  -15.3067
            30  C1y C    19.7867  -11.9467
            31  O5a O    23.4267  -18.9000
            32  C1a C    24.5467  -20.9067
            33  C1z C    14.1867  -24.8267
            34  O1a O    17.6400  -24.9667
            35  C1y C    11.6200  -18.0600
            36  N1b N    14.0000  -18.0600
            37  C1y C    10.4067  -16.0067
            38  C1y C    19.7867  -10.5933
            39  C1y C    21.0000  -12.6000
            40  C1y C    10.4067  -17.3600
            41  O2a O    11.6200  -19.3667
            42  C5a C    14.0000  -19.4133
            43  C1b C     9.2400  -15.3533
            44  O2x O    21.0000   -9.8933
            45  C1b C    18.6667   -9.8933
            46  C1y C    22.1200  -11.9467
            47  O1a O    20.9533  -13.9533
            48  O1a O     9.2400  -18.0600
            49  C1a C    15.1667  -20.1133
            50  O5a O    12.7867  -20.1133
            51  C1y C    22.1200  -10.5933
            52  O1a O    23.3333  -12.6000
            53  O2a O    23.3333   -9.8933
            54  C1b C    24.5000  -10.5933
            55  C1c C    25.6667   -9.8933
            56  C1c C    26.8333  -10.5467
            57  N1b N    25.6667   -8.5400
            58  C2b C    28.0467   -9.8933
            59  O1a O    26.8800  -11.9933
            60  C5a C    26.7867   -7.7933
            61  C2b C    29.2133  -10.5467
            62  O5a O    26.7867   -6.4867
            63  R   R    28.0000   -8.4933
            64  C1b C    30.3800   -9.8467
            65  C1b C    31.5933  -10.5000
            66  C1b C    32.7600   -9.8467
            67  C1b C    33.9733  -10.4533
            68  C1b C    35.1400   -9.8000
            69  C1b C    36.3533  -10.4533
            70  C1b C    37.5200   -9.8000
            71  C1b C    38.7333  -10.4067
            72  C1b C    39.9000   -9.7533
            73  C1b C    41.1133  -10.4067
            74  C1b C    42.2800   -9.7533
            75  C1b C    43.4933  -10.3600
            76  C1a C    44.6600   -9.7067
            77  O6a O    16.6133  -18.2933
            78  O6a O    17.1733  -20.5800
            79  O2x O    12.8333  -24.8267
            80  C1x C    14.8400  -25.9933
            81  C1y C    12.1333  -26.0400
            82  C1y C    14.2333  -27.1600
            83  C1y C    12.8333  -27.1600
            84  O1a O    14.8400  -28.3267
            85  C1c C    10.7333  -26.0400
            86  C1c C    10.0333  -24.8267
            87  C1b C     8.6333  -24.8267
            88  O1a O     7.8867  -23.6600
            89  O1a O    10.0333  -27.3000
            90  O1a O    10.6867  -23.6133
            91  N1b N    12.1333  -28.3733
            92  C5a C    12.8333  -29.5867
            93  C1a C    12.1333  -30.7533
            94  O5a O    14.2333  -29.5867
            95  C6a C    14.1867  -23.4733
            96  O6a O    15.1667  -22.5633
            97  O6a O    12.9267  -22.7733
            98  O1a O    17.4533  -10.5933
            99  O1a O    12.8333  -13.3467
            100 O1a O     8.0733  -16.1000
            101 C1y C     7.9800  -20.0667
            102 C1y C     7.9800  -21.4667
            103 C1y C     9.1933  -22.1667
            104 C1y C    10.4067  -21.4667
            105 C1y C    10.4067  -20.0667
            106 O2x O     9.1933  -19.3667
            107 O1a O     6.7667  -22.1667
            108 C1b C     6.7667  -19.3667
            109 O1a O     9.1933  -23.4267
            110 O1a O    11.6200  -22.1667
            111 O1a O     5.5533  -20.0667
BOND        116
            1     1   2 1 #Down
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     6   2 1 #Up
            6     3   7 1
            7     4   8 1
            8     6   9 1
            9     6  10 1
            10    7  11 1
            11    7  12 1
            12    8  13 1 #Down
            13    9  14 1
            14    9  15 1 #Up
            15   10  16 1
            16   10  17 1 #Down
            17   11  18 1 #Up
            18   12  19 1
            19   12  20 1 #Down
            20   14  21 1
            21   14  22 1 #Up
            22   23  15 1 #Up
            23   16  24 1 #Up
            24   18  25 1
            25   19  26 1 #Up
            26   19  27 1
            27   23  28 1
            28   23  29 1
            29   30  24 1 #Down
            30   25  31 2
            31   25  32 1
            32   33  26 1 #Down
            33   27  34 1
            34   28  35 1
            35   28  36 1 #Down
            36   29  37 1
            37   30  38 1
            38   30  39 1
            39   35  40 1
            40   35  41 1 #Up
            41   36  42 1
            42   37  43 1 #Up
            43   38  44 1
            44   38  45 1 #Up
            45   39  46 1
            46   39  47 1 #Up
            47   40  48 1 #Up
            48   42  49 1
            49   42  50 2
            50   44  51 1
            51   46  52 1 #Down
            52   51  53 1 #Up
            53    8  11 1
            54   16  21 1
            55   37  40 1
            56   46  51 1
            57   53  54 1
            58   54  55 1
            59   55  56 1
            60   55  57 1 #Down
            61   56  58 1
            62   56  59 1 #Up
            63   57  60 1
            64   58  61 2
            65   60  62 2
            66   60  63 1
            67   61  64 1
            68   64  65 1
            69   65  66 1
            70   66  67 1
            71   67  68 1
            72   68  69 1
            73   69  70 1
            74   70  71 1
            75   71  72 1
            76   72  73 1
            77   73  74 1
            78   74  75 1
            79   75  76 1
            80    5  77 1
            81    5  78 2
            82   33  79 1
            83   33  80 1
            84   79  81 1
            85   80  82 1
            86   81  83 1
            87   82  84 1 #Down
            88   82  83 1
            89   81  85 1
            90   85  86 1
            91   86  87 1
            92   87  88 1
            93   85  89 1 #Down
            94   86  90 1 #Up
            95   83  91 1 #Up
            96   91  92 1
            97   92  93 1
            98   92  94 2
            99   33  95 1 #Up
            100  95  96 1
            101  95  97 2
            102  45  98 1
            103  22  99 1
            104  43 100 1
            105 101 102 1
            106 102 103 1
            107 103 104 1
            108 104 105 1
            109 105 106 1
            110 101 106 1
            111 105  41 1 #Up
            112 102 107 1 #Up
            113 101 108 1 #Up
            114 103 109 1 #Up
            115 104 110 1 #Down
            116 108 111 1

» Japanese version

KEGG   COMPOUND: C06140
Entry
C06140                      Compound                               
Name
GT1b;
Neu5Ac-alpha2->3Gal-beta1->3GalNAc-beta1->4(Neu5Ac-alpha2->8Neu5Ac-alpha2->3)Gal-beta1->4Glc-beta1->1'Cer;
Neu5Ac-alpha2->3Gal-beta1->3GalNAc-beta1->4(Neu5Ac-alpha2->8Neu5Ac-alpha2->3)LacCer
Formula
C78H130N5O47R
Structure
Remark
Same as: G00116
Comment
Generic compound in reaction hierarchy
Reaction
R04661 R05114 R05115 R05116 R05117
Pathway
map00604  Glycosphingolipid biosynthesis - ganglio series
map01100  Metabolic pathways
map04517  IgSF CAM signaling
Network
nt06546  IgSF CAM signaling
Enzyme
2.4.3.2         2.4.3.8         2.4.99.-        3.2.1.18
Brite
Lipids [BR:br08002]
 SP  Sphingolipids
  SP06 Acidic glycosphingolipids
   SP0601 Gangliosides
    G00116  Neu5Ac-alpha2->3Gal-beta1->3GalNAc-beta1->4(Neu5Ac-alpha2->8Neu5Ac-alpha2->3)Gal-beta1->4Glc-beta1->1'Cer (GT1b)
Other DBs
PubChem: 8396
LinkDB
KCF data

ATOM        131
            1   C1z C    20.0900  -18.3633
            2   O2a O    17.6633  -15.9833
            3   O2x O    20.0900  -19.7633
            4   C1x C    21.2567  -17.6633
            5   C6a C    18.8767  -18.6900
            6   C1y C    17.6633  -14.7233
            7   C1y C    21.3033  -20.3700
            8   C1y C    22.4700  -18.3633
            9   C1y C    16.5433  -14.0233
            10  C1y C    18.8300  -14.0233
            11  C1y C    22.4700  -19.7167
            12  C1c C    21.3033  -21.7700
            13  O1a O    23.6367  -17.6633
            14  C1y C    16.5433  -12.6233
            15  O2a O    15.3300  -14.6767
            16  C1y C    18.8300  -12.6233
            17  O1a O    19.9967  -14.7233
            18  N1b N    23.6367  -20.3700
            19  C1c C    20.1367  -22.4233
            20  O1a O    22.5167  -22.4233
            21  O2x O    17.6633  -11.9700
            22  C1b C    15.3300  -11.9700
            23  C1y C    14.1167  -15.4233
            24  O2a O    19.9967  -11.9700
            25  C5a C    24.8500  -19.7167
            26  O2a O    18.9700  -21.7700
            27  C1b C    20.1367  -23.7767
            28  C1y C    14.1167  -16.8233
            29  O2x O    12.9033  -14.7233
            30  C1y C    21.1633  -11.2700
            31  O5a O    24.8500  -18.3167
            32  C1a C    26.0167  -20.3233
            33  O1a O    18.9700  -24.4767
            34  C1y C    12.9033  -17.5233
            35  N1b N    15.3300  -17.5233
            36  C1y C    11.6900  -15.4233
            37  C1y C    21.1633   -9.9633
            38  C1y C    22.3767  -11.9700
            39  C1y C    11.6900  -16.8233
            40  O2a O    12.9033  -18.8300
            41  C5a C    15.3300  -18.8767
            42  C1b C    10.4767  -14.7700
            43  O2x O    22.3767   -9.2633
            44  C1b C    19.9967   -9.2633
            45  C1y C    23.5433  -11.2700
            46  O1a O    22.3300  -13.3233
            47  O1a O    10.4767  -17.5233
            48  C1a C    16.5433  -19.5767
            49  O5a O    14.1167  -19.5767
            50  C1y C    23.5433   -9.9633
            51  O1a O    24.7567  -11.9700
            52  O2a O    24.7567   -9.2633
            53  C1b C    25.9700   -9.9633
            54  C1c C    27.0900   -9.2167
            55  C1c C    28.2567   -9.9167
            56  N1b N    27.0900   -7.9100
            57  C2b C    29.4700   -9.2167
            58  O1a O    28.3033  -11.3167
            59  C5a C    28.2100   -7.1633
            60  C2b C    30.6833   -9.9167
            61  O5a O    28.2100   -5.8100
            62  R   R    29.4233   -7.8633
            63  C1b C    31.8967   -9.1700
            64  C1b C    33.1100   -9.8700
            65  C1b C    34.3233   -9.1700
            66  C1b C    35.5367   -9.8233
            67  C1b C    36.6567   -9.1233
            68  C1b C    37.8700   -9.8233
            69  C1b C    39.0833   -9.1233
            70  C1b C    40.2967   -9.7767
            71  C1b C    41.5100   -9.0767
            72  C1b C    42.7233   -9.7767
            73  C1b C    43.9367   -9.0767
            74  C1b C    45.1500   -9.7300
            75  C1a C    46.2700   -9.0300
            76  O6a O    17.9433  -17.7100
            77  O6a O    18.5033  -20.0433
            78  O1a O    18.7833   -9.9167
            79  O1a O    14.1167  -12.7167
            80  O1a O     9.3100  -15.5167
            81  C1y C    11.6900  -19.5300
            82  O2x O    10.4767  -18.8300
            83  C1y C     9.2633  -19.5300
            84  C1y C     9.2633  -20.9300
            85  C1y C    10.4767  -21.6300
            86  C1y C    11.6900  -20.9300
            87  C1b C     8.0967  -18.8300
            88  O1a O     8.1433  -21.8167
            89  O2a O    10.4767  -23.0300
            90  O1a O    12.9033  -21.6300
            91  O1a O     6.8833  -19.5300
            92  C1z C     8.7967  -24.0567
            93  O2x O     7.6300  -23.3567
            94  C1x C     8.7967  -25.4567
            95  C6a C     9.9633  -24.6633
            96  C1y C     6.4167  -24.0567
            97  C1y C     7.6300  -26.1567
            98  O6a O    11.1300  -23.9633
            99  O6a O     9.9633  -26.1100
            100 C1y C     6.4167  -25.4567
            101 O1a O     7.6300  -27.4633
            102 C1c C     5.2033  -23.3100
            103 C1c C     5.2033  -21.9100
            104 C1b C     3.9433  -21.1633
            105 O1a O     3.9433  -19.7167
            106 O1a O     3.9433  -24.0567
            107 O1a O     6.4167  -21.0233
            108 N1b N     5.2033  -26.1567
            109 C5a C     5.2033  -27.5567
            110 C1a C     3.9433  -28.2567
            111 O5a O     6.4167  -28.2567
            112 C1z C    16.1233  -25.3167
            113 O2x O    14.9100  -25.9700
            114 C1x C    17.2433  -26.0167
            115 C1y C    14.9100  -27.3700
            116 C1y C    17.2433  -27.3233
            117 C1y C    16.0767  -27.9767
            118 O1a O    18.3633  -28.0233
            119 C1c C    13.6967  -28.0233
            120 C1c C    12.4833  -27.3233
            121 C1b C    11.2700  -27.9767
            122 O1a O    10.0567  -27.3233
            123 O1a O    13.6967  -29.4700
            124 O1a O    12.4833  -25.9233
            125 N1b N    16.0300  -29.3767
            126 C5a C    17.2433  -30.1233
            127 C1a C    17.2433  -31.4767
            128 O5a O    18.4567  -29.4233
            129 C6a C    15.4700  -24.1033
            130 O6a O    16.0767  -22.9833
            131 O6a O    14.0233  -24.1033
BOND        137
            1     1   2 1 #Down
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     6   2 1 #Up
            6     3   7 1
            7     4   8 1
            8     6   9 1
            9     6  10 1
            10    7  11 1
            11    7  12 1
            12    8  13 1 #Down
            13    9  14 1
            14    9  15 1 #Up
            15   10  16 1
            16   10  17 1 #Down
            17   11  18 1 #Up
            18   12  19 1
            19   12  20 1 #Down
            20   14  21 1
            21   14  22 1 #Up
            22   23  15 1 #Up
            23   16  24 1 #Up
            24   18  25 1
            25   19  26 1 #Up
            26   19  27 1
            27   23  28 1
            28   23  29 1
            29   30  24 1 #Down
            30   25  31 2
            31   25  32 1
            32   27  33 1
            33   28  34 1
            34   28  35 1 #Down
            35   29  36 1
            36   30  37 1
            37   30  38 1
            38   34  39 1
            39   34  40 1 #Up
            40   35  41 1
            41   36  42 1 #Up
            42   37  43 1
            43   37  44 1 #Up
            44   38  45 1
            45   38  46 1 #Up
            46   39  47 1 #Up
            47   41  48 1
            48   41  49 2
            49   43  50 1
            50   45  51 1 #Down
            51   50  52 1 #Up
            52    8  11 1
            53   16  21 1
            54   36  39 1
            55   45  50 1
            56   52  53 1
            57   53  54 1
            58   54  55 1
            59   54  56 1 #Down
            60   55  57 1
            61   55  58 1 #Up
            62   56  59 1
            63   57  60 2
            64   59  61 2
            65   59  62 1
            66   60  63 1
            67   63  64 1
            68   64  65 1
            69   65  66 1
            70   66  67 1
            71   67  68 1
            72   68  69 1
            73   69  70 1
            74   70  71 1
            75   71  72 1
            76   72  73 1
            77   73  74 1
            78   74  75 1
            79    5  76 1
            80    5  77 2
            81   44  78 1
            82   22  79 1
            83   42  80 1
            84   81  40 1 #Up
            85   81  82 1
            86   82  83 1
            87   83  84 1
            88   84  85 1
            89   85  86 1
            90   81  86 1
            91   83  87 1 #Up
            92   84  88 1 #Up
            93   85  89 1 #Up
            94   86  90 1 #Down
            95   87  91 1
            96   92  93 1
            97   92  89 1 #Down
            98   92  94 1
            99   92  95 1 #Up
            100  93  96 1
            101  94  97 1
            102  95  98 1
            103  95  99 2
            104  96 100 1
            105  97 101 1 #Down
            106  97 100 1
            107  96 102 1
            108 102 103 1
            109 103 104 1
            110 104 105 1
            111 102 106 1 #Down
            112 103 107 1 #Up
            113 100 108 1 #Up
            114 108 109 1
            115 109 110 1
            116 109 111 2
            117 112  26 1 #Down
            118 112 113 1
            119 112 114 1
            120 113 115 1
            121 114 116 1
            122 115 117 1
            123 116 118 1 #Down
            124 116 117 1
            125 115 119 1
            126 119 120 1
            127 120 121 1
            128 121 122 1
            129 119 123 1 #Down
            130 120 124 1 #Up
            131 117 125 1 #Up
            132 125 126 1
            133 126 127 1
            134 126 128 2
            135 112 129 1 #Up
            136 129 130 1
            137 129 131 2

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