KEGG   COMPOUND: C04740
Entry
C04740                      Compound                               
Name
alpha-N-Acetylneuraminyl-2,6-beta-galactosyl-1,4-beta-D-glucosylceramide;
Neu5Ac-alpha2->6Gal-beta1->4Glc-beta1->1'Cer
Formula
C42H73N2O21R
Structure
Remark
Same as: G01185
Comment
Generic compound in reaction hierarchy
Reaction
Enzyme
Other DBs
PubChem: 7311
ChEBI: 15679
LinkDB
KCF data

ATOM        66
            1   C1c C    28.9502  -15.3729
            2   C1c C    30.1734  -16.0315
            3   N1b N    28.9031  -13.9615
            4   C1b C    27.7270  -16.0786
            5   C2b C    31.3966  -15.3258
            6   O1a O    30.1734  -17.4900
            7   C5a C    30.1264  -13.2558
            8   O2a O    26.5037  -15.3729
            9   C2b C    32.6198  -16.0315
            10  O5a O    30.1264  -11.8444
            11  R   R    31.3496  -13.9615
            12  C1b C    33.8430  -15.3258
            13  C1b C    35.0663  -15.9845
            14  C1b C    36.2424  -15.2788
            15  C1b C    37.4657  -15.9845
            16  C1b C    38.6889  -15.2788
            17  C1b C    39.9120  -15.9375
            18  C1b C    41.1353  -15.2318
            19  C1b C    42.3585  -15.9375
            20  C1b C    43.5817  -15.2318
            21  C1b C    44.8050  -15.8904
            22  C1b C    46.0282  -15.1847
            23  C1b C    47.2513  -15.8904
            24  C1a C    48.4746  -15.1847
            25  C1y C    22.9752  -16.0786
            26  O2x O    24.1514  -15.3729
            27  C1y C    22.9752  -17.4429
            28  C1y C    25.3276  -16.0786
            29  C1y C    24.1514  -18.1016
            30  O2a O    21.7991  -18.1016
            31  C1y C    25.3276  -17.4429
            32  O1a O    24.1514  -19.4660
            33  O1a O    26.5037  -18.1016
            34  C1b C    21.7520  -15.3729
            35  C1b C    16.8121  -18.2898
            36  C1y C    17.9883  -18.9485
            37  O2x O    19.1174  -18.2898
            38  C1y C    17.9883  -20.3128
            39  C1y C    20.3406  -18.9485
            40  C1y C    19.1174  -20.9714
            41  O1a O    16.8121  -20.9714
            42  C1y C    20.3406  -20.3128
            43  O1a O    19.1644  -22.3359
            44  O1a O    21.5168  -20.9714
            45  O1a O    20.5288  -16.0786
            46  O2a O    15.5889  -18.9955
            47  C1z C    14.3656  -18.2898
            48  O2x O    13.1895  -17.5841
            49  C1x C    14.3656  -19.6542
            50  C1y C    11.9663  -18.2898
            51  C1y C    13.1895  -20.3599
            52  C1y C    11.9663  -19.6542
            53  O1a O    13.1895  -21.7242
            54  C1c C    10.7431  -17.5371
            55  C1c C    10.7431  -16.1257
            56  C1b C     9.4728  -15.3729
            57  O1a O     9.4728  -13.9144
            58  O1a O     9.4728  -18.2898
            59  O1a O    11.9663  -15.3729
            60  N1b N    10.7431  -20.3599
            61  C5a C    10.7431  -21.8183
            62  C1a C     9.4728  -22.5240
            63  O5a O    11.9663  -22.5240
            64  C6a C    15.0713  -17.0666
            65  O6a O    16.4827  -17.0666
            66  O6a O    14.3656  -15.8434
BOND        68
            1    29  31 1
            2    25  34 1 #Up
            3     4   8 1
            4     5   9 2
            5     7  10 2
            6     7  11 1
            7     9  12 1
            8    12  13 1
            9    13  14 1
            10   14  15 1
            11   15  16 1
            12   16  17 1
            13   17  18 1
            14   18  19 1
            15   19  20 1
            16   20  21 1
            17   21  22 1
            18   22  23 1
            19   23  24 1
            20    1   2 1
            21    1   3 1 #Down
            22    1   4 1
            23    2   5 1
            24    2   6 1 #Up
            25    3   7 1
            26   25  26 1
            27   25  27 1
            28   26  28 1
            29   27  29 1
            30   27  30 1 #Down
            31   28  31 1
            32   28   8 1 #Up
            33   29  32 1 #Up
            34   31  33 1 #Down
            35   36  35 1 #Up
            36   36  37 1
            37   36  38 1
            38   37  39 1
            39   38  40 1
            40   38  41 1 #Up
            41   39  42 1
            42   39  30 1 #Up
            43   40  43 1 #Up
            44   42  44 1 #Down
            45   40  42 1
            46   34  45 1
            47   35  46 1
            48   47  48 1
            49   47  49 1
            50   48  50 1
            51   49  51 1
            52   50  52 1
            53   51  53 1 #Down
            54   51  52 1
            55   50  54 1
            56   54  55 1
            57   55  56 1
            58   56  57 1
            59   54  58 1 #Down
            60   55  59 1 #Up
            61   52  60 1 #Up
            62   60  61 1
            63   61  62 1
            64   61  63 2
            65   47  64 1 #Up
            66   47  46 1 #Down
            67   64  65 2
            68   64  66 1

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