KEGG   COMPOUND: C04730Help
Entry
C04730                      Compound                               

Name
GM3;
(N-Acetylneuraminyl)-D-galactosyl-D-glucosylceramide;
alpha-N-Acetylneuraminyl-2,3-beta-D-galactosyl-1,4-beta-D-glucosylceramide;
N-Acetylneuraminyl-2,3-alpha-D-galactosyl-1,4-beta-D-glucosylceramide;
Neu5Ac-alpha2->3Gal-beta1->4Glc-beta1->1'Cer
Formula
C42H73N2O21R
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Comment
Generic compound in reaction hierarchy
Reaction
Enzyme
2.4.1.92        2.4.1.165       2.4.99.8        2.4.99.9        
3.2.1.18        3.2.1.52
Brite
Compounds with biological roles [BR:br08001]
 Lipids
  Glycolipids
   Sphingoglycolipids
    C04730  GM3
BRITE hierarchy
Other DBs
PubChem: 
ChEBI: 
LipidBank: 
KCF data Show

ATOM        66
            1   O2a O    10.7371  -18.6551
            2   C1y C    10.7841  -17.2465
            3   C1y C    12.0049  -16.5892
            4   C1y C     9.6102  -16.5422
            5   C1y C    12.0049  -15.2275
            6   O1a O    12.9909  -17.1057
            7   C1y C     9.6102  -15.1336
            8   O1a O     8.3425  -17.1995
            9   O2a O    13.2258  -14.5232
            10  O2x O    10.8311  -14.4763
            11  C1b C     8.4365  -14.4293
            12  C1y C    14.4465  -13.8658
            13  O1a O     7.2626  -15.1336
            14  C1y C    14.4465  -12.5042
            15  C1y C    15.6204  -14.6171
            16  O2x O    15.6204  -11.8468
            17  C1b C    13.2258  -11.7529
            18  C1y C    16.8412  -13.9128
            19  O1a O    15.5734  -15.9788
            20  C1y C    16.8412  -12.5511
            21  O1a O    12.0519  -12.5042
            22  O1a O    18.0151  -14.6640
            23  O2a O    18.0619  -11.8938
            24  C1b C    19.2828  -12.5981
            25  C1c C    20.4566  -11.8468
            26  C1c C    21.6775  -12.5511
            27  N1b N    20.4566  -10.4852
            28  C2b C    22.8982  -11.8468
            29  O1a O    21.7244  -13.9597
            30  C5a C    21.6305   -9.7339
            31  C2b C    24.1190  -12.5511
            32  O5a O    21.6305   -8.3722
            33  R   R    22.8512  -10.4382
            34  C1b C    25.3399  -11.7999
            35  C1b C    26.5137  -12.5042
            36  C1b C    27.7345  -11.7999
            37  C1b C    28.9553  -12.4572
            38  C1b C    30.1761  -11.7529
            39  C1b C    31.3969  -12.4572
            40  C1b C    32.6177  -11.7529
            41  C1b C    33.7916  -12.4102
            42  C1b C    35.0123  -11.7059
            43  C1b C    36.2331  -12.4102
            44  C1b C    37.4540  -11.7059
            45  C1b C    38.6748  -12.3633
            46  C1a C    39.8955  -11.6590
            47  C1z C     9.2816  -19.7820
            48  O2x O     8.1077  -19.0777
            49  C1x C     9.2816  -21.1437
            50  C6a C    10.4554  -20.3925
            51  C1y C     6.8870  -19.7820
            52  C1y C     8.1077  -21.8480
            53  O6a O    11.6293  -19.6882
            54  O6a O    10.4554  -21.8011
            55  C1y C     6.8870  -21.1437
            56  O1a O     8.1077  -23.2097
            57  C1c C     5.6661  -19.0307
            58  C1c C     5.6661  -17.6221
            59  C1b C     4.3983  -16.8709
            60  O1a O     4.3983  -15.4153
            61  O1a O     4.3983  -19.7820
            62  O1a O     6.8870  -16.8709
            63  N1b N     5.6661  -21.8480
            64  C5a C     5.6661  -23.3036
            65  C1a C     4.3983  -24.0079
            66  O5a O     6.8870  -24.0079
BOND        68
            1     2   1 1 #Up
            2     2   3 1
            3     2   4 1
            4     3   5 1
            5     3   6 1 #Down
            6     4   7 1
            7     4   8 1 #Up
            8     5   9 1 #Up
            9     5  10 1
            10    7  11 1 #Up
            11   12   9 1 #Down
            12   11  13 1
            13   12  14 1
            14   12  15 1
            15   14  16 1
            16   14  17 1 #Up
            17   15  18 1
            18   15  19 1 #Up
            19   16  20 1
            20   17  21 1
            21   18  22 1 #Down
            22   20  23 1 #Up
            23   23  24 1
            24   24  25 1
            25   25  26 1
            26   25  27 1 #Down
            27   26  28 1
            28   26  29 1 #Up
            29   27  30 1
            30   28  31 2
            31   30  32 2
            32   30  33 1
            33   31  34 1
            34   34  35 1
            35   35  36 1
            36   36  37 1
            37   37  38 1
            38   38  39 1
            39   39  40 1
            40   40  41 1
            41   41  42 1
            42   42  43 1
            43   43  44 1
            44   44  45 1
            45   45  46 1
            46    7  10 1
            47   18  20 1
            48   47  48 1
            49   47   1 1 #Down
            50   47  49 1
            51   47  50 1 #Up
            52   48  51 1
            53   49  52 1
            54   50  53 1
            55   50  54 2
            56   51  55 1
            57   52  56 1 #Down
            58   52  55 1
            59   51  57 1
            60   57  58 1
            61   58  59 1
            62   59  60 1
            63   57  61 1 #Down
            64   58  62 1 #Up
            65   55  63 1 #Up
            66   63  64 1
            67   64  65 1
            68   64  66 2

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