KEGG   COMPOUND: C04911Help
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
Mol fileKCF fileDB search
Remark
Same as: G00110
Comment
Generic compound in reaction hierarchy
Reaction
Pathway
map05110  Vibrio cholerae infection
Enzyme
2.4.1.62        2.4.99.2        2.4.99.4        2.4.99.8        
2.4.99.9        3.2.1.18        3.2.1.23
Brite
Compounds with biological roles [BR:br08001]
 Lipids
  Glycolipids
   Glycosphingolipids
    C04911  GM1
BRITE hierarchy
Other DBs
PubChem: 7461
ChEBI: 18216
LipidBank: GSG1091
KCF data Show

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

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