KEGG   COMPOUND: C04730
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
Remark
Same as: G00108
Comment
Generic compound in reaction hierarchy
Reaction
Pathway
map00600  Sphingolipid metabolism
map00604  Glycosphingolipid biosynthesis - ganglio series
map01100  Metabolic pathways
Network
nt06014  Sphingolipid degradation
Enzyme
2.4.1.92        2.4.1.-         2.4.3.8         2.4.3.9         
3.2.1.18        3.2.1.52
Brite
Compounds with biological roles [BR:br08001]
 Lipids
  Glycolipids
   Glycosphingolipids
    C04730  GM3
Lipids [BR:br08002]
 SP  Sphingolipids
  SP06 Acidic glycosphingolipids
   SP0601 Gangliosides
    G00108  Neu5Ac-alpha2->3Gal-beta1->4Glc-beta1->1'Cer (GM3)
Cancer-associated carbohydrates [br08441.html]
 Glycosphingolipid
  G00108
Other DBs
PubChem: 7301
ChEBI: 15681 180863
LinkDB
KCF data

ATOM        66
            1   O2a O     8.7771  -18.4451
            2   C1y C     8.8241  -17.0365
            3   C1y C    10.0449  -16.3792
            4   C1y C     7.6502  -16.3322
            5   C1y C    10.0449  -15.0175
            6   O1a O    11.0309  -16.8957
            7   C1y C     7.6502  -14.9236
            8   O1a O     6.3825  -16.9895
            9   O2a O    11.2658  -14.3132
            10  O2x O     8.8711  -14.2663
            11  C1b C     6.4765  -14.2193
            12  C1y C    12.4865  -13.6558
            13  O1a O     5.3026  -14.9236
            14  C1y C    12.4865  -12.2942
            15  C1y C    13.6604  -14.4071
            16  O2x O    13.6604  -11.6368
            17  C1b C    11.2658  -11.5429
            18  C1y C    14.8812  -13.7028
            19  O1a O    13.6134  -15.7688
            20  C1y C    14.8812  -12.3411
            21  O1a O    10.0919  -12.2942
            22  O1a O    16.0551  -14.4540
            23  O2a O    16.1019  -11.6838
            24  C1b C    17.3228  -12.3881
            25  C1c C    18.4966  -11.6368
            26  C1c C    19.7175  -12.3411
            27  N1b N    18.4966  -10.2752
            28  C2b C    20.9382  -11.6368
            29  O1a O    19.7644  -13.7497
            30  C5a C    19.6705   -9.5239
            31  C2b C    22.1590  -12.3411
            32  O5a O    19.6705   -8.1622
            33  R   R    20.8912  -10.2282
            34  C1b C    23.3799  -11.5899
            35  C1b C    24.5537  -12.2942
            36  C1b C    25.7745  -11.5899
            37  C1b C    26.9953  -12.2472
            38  C1b C    28.2161  -11.5429
            39  C1b C    29.4369  -12.2472
            40  C1b C    30.6577  -11.5429
            41  C1b C    31.8316  -12.2002
            42  C1b C    33.0523  -11.4959
            43  C1b C    34.2731  -12.2002
            44  C1b C    35.4940  -11.4959
            45  C1b C    36.7148  -12.1533
            46  C1a C    37.9355  -11.4490
            47  C1z C     6.9716  -19.5720
            48  O2x O     5.7977  -18.8677
            49  C1x C     6.9716  -20.9337
            50  C6a C     8.1454  -20.1825
            51  C1y C     4.5770  -19.5720
            52  C1y C     5.7977  -21.6380
            53  O6a O     9.3193  -19.4782
            54  O6a O     8.1454  -21.5911
            55  C1y C     4.5770  -20.9337
            56  O1a O     5.7977  -22.9997
            57  C1c C     3.3561  -18.8207
            58  C1c C     3.3561  -17.4121
            59  C1b C     2.0883  -16.6609
            60  O1a O     2.0883  -15.2053
            61  O1a O     2.0883  -19.5720
            62  O1a O     4.5770  -16.6609
            63  N1b N     3.3561  -21.6380
            64  C5a C     3.3561  -23.0936
            65  C1a C     2.0883  -23.7979
            66  O5a O     4.5770  -23.7979
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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