KEGG   COMPOUND: C04884Help
Entry
C04884                      Compound                               

Name
N-Acetyl-D-galactosaminyl-(N-acetylneuraminyl)-D-galactosyl-D-glucosylceramide;
GM2;
Tay-Sachs ganglioside;
N-Acetyl-D-galactosaminyl-(N-acetylneuraminyl)-D-galactosyl-1,4-beta-D-glucosyl-N-acylsphingosine;
GalNAc-beta1->4(Neu5Ac-alpha2->3)Gal-beta1->4Glc-beta1->1'Cer
Formula
C50H86N3O26R
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Comment
Generic compound in reaction hierarchy
Reaction
Enzyme
2.4.1.62        2.4.1.92        2.4.99.8        2.4.99.9        
3.2.1.18        3.2.1.23        3.2.1.52
Brite
Compounds with biological roles [BR:br08001]
 Lipids
  Glycolipids
   Sphingoglycolipids
    C04884  GM2
BRITE hierarchy
Other DBs
PubChem: 
ChEBI: 
LipidBank: 
KCF data Show

ATOM        80
            1   C1z C    14.4315  -19.4262
            2   O2a O    11.9696  -17.0106
            3   O2x O    14.4315  -20.8198
            4   C1x C    15.5928  -18.7294
            5   C6a C    13.2238  -19.7514
            6   C1y C    11.9696  -15.7565
            7   C1y C    15.6394  -21.4700
            8   C1y C    16.8006  -19.4262
            9   C1y C    10.8082  -15.0597
            10  C1y C    13.1772  -15.0597
            11  C1y C    16.8006  -20.7732
            12  C1c C    15.6394  -22.8636
            13  O1a O    17.9619  -18.7294
            14  C1y C    10.8082  -13.6661
            15  O2a O     9.6006  -15.7100
            16  C1y C    13.1772  -13.6661
            17  O1a O    14.3387  -15.7565
            18  N1b N    17.9619  -21.4700
            19  C1c C    14.4779  -23.5140
            20  O1a O    16.8470  -23.5140
            21  O2x O    11.9696  -13.0158
            22  C1b C     9.6006  -13.0158
            23  C1y C     8.3928  -16.4532
            24  O2a O    14.3387  -13.0158
            25  C5a C    19.1696  -20.7732
            26  O1a O    13.3166  -22.8636
            27  C1b C    14.4779  -24.8611
            28  C1y C     8.3928  -17.8468
            29  O2x O     7.1850  -15.7565
            30  C1y C    15.5000  -12.3191
            31  O5a O    19.1696  -19.3797
            32  C1a C    20.3309  -21.4237
            33  O1a O    13.3166  -25.5579
            34  C1y C     7.1850  -18.5436
            35  N1b N     9.6006  -18.5436
            36  C1y C     5.9772  -16.4532
            37  C1y C    15.5000  -10.9719
            38  C1y C    16.7077  -13.0158
            39  C1y C     5.9772  -17.8468
            40  O1a O     7.1850  -19.8907
            41  C5a C     9.6006  -19.9372
            42  C1b C     4.7695  -15.8029
            43  O2x O    16.7077  -10.2751
            44  C1b C    14.3387  -10.2751
            45  C1y C    17.8690  -12.3191
            46  O1a O    16.6612  -14.3629
            47  O1a O     4.7695  -18.5436
            48  C1a C    10.8082  -20.6339
            49  O5a O     8.3928  -20.6339
            50  C1y C    17.8690  -10.9719
            51  O1a O    19.0767  -13.0158
            52  O2a O    19.0767  -10.2751
            53  C1b C    20.2845  -10.9719
            54  C1c C    21.4458  -10.2287
            55  C1c C    22.6535  -10.9255
            56  N1b N    21.4458   -8.8816
            57  C2b C    23.8614  -10.2287
            58  O1a O    22.7000  -12.3655
            59  C5a C    22.6071   -8.1384
            60  C2b C    25.0690  -10.9255
            61  O5a O    22.6071   -6.7912
            62  R   R    23.8148   -8.8351
            63  C1b C    26.2768  -10.1822
            64  C1b C    27.4846  -10.8790
            65  C1b C    28.6923  -10.1822
            66  C1b C    29.9001  -10.8326
            67  C1b C    31.1079  -10.1358
            68  C1b C    32.3156  -10.8326
            69  C1b C    33.5233  -10.1358
            70  C1b C    34.7311  -10.7861
            71  C1b C    35.9389  -10.0893
            72  C1b C    37.1466  -10.7861
            73  C1b C    38.3544  -10.0893
            74  C1b C    39.5621  -10.7397
            75  C1a C    40.7698  -10.0429
            76  O6a O    12.2483  -18.7759
            77  O6a O    12.8522  -21.0985
            78  O1a O    13.1202  -10.9515
            79  O1a O     8.4149  -13.7480
            80  O1a O     3.5838  -16.5351
BOND        83
            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

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