KEGG   COMPOUND: C04932Help
Entry
C04932                      Compound                               

Name
Lipid A disaccharide;
Tetraacyldisaccharide 1-phosphate;
[2-N,3-O-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl]-(1->6)-[2-N,3-O-bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl phosphate];
2,3-Bis[(3R)-3-hydroxytetradecanoyl]-beta-D-glucosaminyl-(1->6)-2,3-bis[(3R)-3-hydroxytetradecanoyl]-alpha-D-glucosaminyl 1-phosphate
Formula
C68H129N2O20P
Exact mass
1324.8876
Mol weight
1325.727
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Lipopolysaccharide biosynthesis
Metabolic pathways
Module
M00060  
Lipopolysaccharide biosynthesis, KDO2-lipid A
Enzyme
2.4.1.182       2.7.1.130
Brite
Lipids [BR:br08002]
 SL  Saccharolipids
  SL01 Acylaminosugars
   SL0104 Tetraacylaminosugars
    C04932  Lipid A disaccharide
BRITE hierarchy
Other DBs
PubChem: 
ChEBI: 
LipidBank: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        91
            1   C1y C    16.8941  -13.7119
            2   C1y C    18.0984  -13.0171
            3   C1y C    15.6896  -13.0171
            4   O7a O    16.8941  -15.1107
            5   C1y C    18.0984  -11.6182
            6   N1b N    19.3028  -13.7119
            7   C1y C    15.6896  -11.6182
            8   O1a O    14.4669  -13.7119
            9   C7a C    15.6896  -15.8150
            10  O2x O    16.8941  -10.9140
            11  O2a O    19.3028  -10.9140
            12  C5a C    19.3028  -15.1107
            13  C1b C    14.4669  -10.9140
            14  C1b C    15.6896  -17.2137
            15  O6a O    14.4761  -15.1107
            16  C1b C    20.5163  -10.2192
            17  C1b C    20.5163  -15.8150
            18  O5a O    18.0984  -15.8150
            19  O1a O    14.4669   -9.5154
            20  C1c C    14.4761  -17.9086
            21  C1y C    21.7299  -10.9234
            22  C1c C    20.5255  -17.2137
            23  C1b C    14.4761  -19.3075
            24  O1a O    13.2625  -17.2137
            25  C1y C    21.7299  -12.3129
            26  O2x O    22.9434  -10.2287
            27  C1b C    19.3120  -17.9086
            28  O1a O    21.7390  -17.9086
            29  C1b C    13.2625  -20.0117
            30  C1y C    22.9434  -13.0171
            31  O1a O    20.5163  -12.5979
            32  C1y C    24.1573  -10.9234
            33  C1b C    19.3120  -19.2981
            34  C1b C    13.2717  -21.4103
            35  C1y C    24.1573  -12.3129
            36  O7a O    22.9434  -14.4160
            37  O2b O    25.3614  -10.2287
            38  C1b C    18.0984  -20.0022
            39  C1b C    12.0581  -22.1053
            40  N1b N    26.1300  -13.0171
            41  C7a C    24.1664  -15.1107
            42  P1b P    25.3614   -8.8297
            43  C1b C    18.0984  -21.4103
            44  C1b C    12.0581  -23.5043
            45  C5a C    27.3438  -12.3129
            46  C1b C    24.1664  -16.5097
            47  O6a O    25.2217  -14.4160
            48  O1c O    23.9625   -8.8203
            49  O1c O    25.3522   -7.4307
            50  O1c O    26.7603   -8.8297
            51  C1b C    16.8941  -22.0959
            52  C1b C    10.8446  -24.1990
            53  C1b C    28.5480  -13.0171
            54  O5a O    27.3345  -10.9140
            55  C1c C    25.3708  -17.2137
            56  C1b C    16.8941  -23.4949
            57  C1b C    10.8446  -25.5980
            58  C1c C    28.5574  -14.4160
            59  C1b C    25.3708  -18.6033
            60  O1a O    26.5752  -16.5097
            61  C1b C    15.6896  -24.2082
            62  C1b C     9.6310  -26.2927
            63  C1b C    29.7616  -15.1107
            64  O1a O    27.3438  -15.1107
            65  C1b C    26.5844  -19.2981
            66  C1b C    15.6896  -25.6071
            67  C1b C     9.6310  -27.6917
            68  C1b C    29.7524  -16.5283
            69  C1b C    26.5844  -20.6970
            70  C1b C    14.4852  -26.3019
            71  C1b C     8.4172  -28.3955
            72  C1b C    30.9846  -17.2509
            73  C1b C    27.7888  -21.4103
            74  C1b C    14.4852  -27.7008
            75  C1a C     8.4172  -29.7945
            76  C1b C    30.9846  -18.6683
            77  C1b C    27.7979  -22.8001
            78  C1a C    13.2717  -28.4050
            79  C1b C    32.2075  -19.3722
            80  C1b C    29.0023  -23.4949
            81  C1b C    32.1982  -20.7712
            82  C1b C    29.0023  -24.8844
            83  C1b C    33.4120  -21.4753
            84  C1b C    30.2158  -25.5886
            85  C1b C    33.4026  -22.8743
            86  C1b C    30.2068  -26.9875
            87  C1b C    34.6161  -23.5690
            88  C1b C    31.4204  -27.6917
            89  C1b C    34.6070  -24.9679
            90  C1a C    31.4204  -29.0812
            91  C1a C    35.8114  -25.6812
BOND        92
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 1 #Down
            6     3   7 1
            7     3   8 1 #Down
            8     4   9 1
            9     5  10 1
            10    5  11 1 #Up
            11    6  12 1
            12    7  13 1 #Up
            13    9  14 1
            14    9  15 2
            15   11  16 1
            16   12  17 1
            17   12  18 2
            18   13  19 1
            19   14  20 1
            20   21  16 1 #Up
            21   17  22 1
            22   20  23 1
            23   20  24 1 #Up
            24   21  25 1
            25   21  26 1
            26   22  27 1
            27   22  28 1 #Down
            28   23  29 1
            29   25  30 1
            30   25  31 1 #Down
            31   26  32 1
            32   27  33 1
            33   29  34 1
            34   30  35 1
            35   30  36 1 #Up
            36   32  37 1 #Down
            37   33  38 1
            38   34  39 1
            39   35  40 1 #Down
            40   36  41 1
            41   37  42 1
            42   38  43 1
            43   39  44 1
            44   40  45 1
            45   41  46 1
            46   41  47 2
            47   42  48 1
            48   42  49 1
            49   42  50 2
            50   43  51 1
            51   44  52 1
            52   45  53 1
            53   45  54 2
            54   46  55 1
            55   51  56 1
            56   52  57 1
            57   53  58 1
            58   55  59 1
            59   55  60 1 #Down
            60   56  61 1
            61   57  62 1
            62   58  63 1
            63   58  64 1 #Up
            64   59  65 1
            65   61  66 1
            66   62  67 1
            67   63  68 1
            68   65  69 1
            69   66  70 1
            70   67  71 1
            71   68  72 1
            72   69  73 1
            73   70  74 1
            74   71  75 1
            75   72  76 1
            76   73  77 1
            77   74  78 1
            78   76  79 1
            79   77  80 1
            80   79  81 1
            81   80  82 1
            82   81  83 1
            83   82  84 1
            84   83  85 1
            85   84  86 1
            86   85  87 1
            87   86  88 1
            88   87  89 1
            89   88  90 1
            90   89  91 1
            91    7  10 1
            92   32  35 1

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