KEGG   COMPOUND: C06026Help
Entry
C06026                      Compound                               

Name
Di[3-deoxy-D-manno-octulosonyl]-lipid A;
KDO2-lipid A;
alpha-Kdo-(2->4)-alpha-Kdo-(2->6)-lipid A;
Dodecanoyl-(tetradecanoyl)-KDO2-lipid IV(A)
Formula
C110H202N2O39P2
Exact mass
2237.336
Mol weight
2238.7184
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Lipopolysaccharide biosynthesis
Metabolic pathways
Cationic antimicrobial peptide (CAMP) resistance
Module
M00060  
Lipopolysaccharide biosynthesis, KDO2-lipid A
M00080  
Lipopolysaccharide biosynthesis, inner core => outer core => O-antigen
Enzyme
2.3.1.243       2.4.2.43        2.7.4.29        2.7.8.42
Brite
Lipids [BR:br08002]
 SL  Saccharolipids
  SL02 Acylaminosugar glycans
   C06026  KDO2-lipid A
BRITE hierarchy
Other DBs
PubChem: 
ChEBI: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        153
            1   C1y C    18.6825  -13.5806
            2   C1y C    19.8958  -12.8788
            3   C1y C    17.4696  -12.8788
            4   O7a O    18.6825  -14.9742
            5   C1y C    19.8958  -11.4852
            6   N1b N    21.0989  -13.5806
            7   C1y C    17.4696  -11.4852
            8   O2b O    16.2563  -13.5806
            9   C7a C    17.4794  -15.6761
            10  O2x O    18.6825  -10.7834
            11  O2a O    21.0989  -10.7834
            12  C5a C    21.0989  -14.9742
            13  C1b C    16.2563  -10.7834
            14  P1b P    14.8529  -13.5705
            15  C1b C    17.4794  -17.0695
            16  O6a O    16.2563  -14.9844
            17  C1b C    22.3021  -10.0816
            18  C1b C    22.3021  -15.6761
            19  O5a O    19.8958  -15.6761
            20  O2a O    16.2464   -9.3800
            21  O1c O    14.8428  -12.1769
            22  O1c O    13.4594  -13.5705
            23  O1c O    14.8428  -14.9742
            24  C1c C    16.2665  -17.7813
            25  C1y C    23.5252  -10.7834
            26  C1c C    22.3119  -17.0795
            27  C1z C    16.2365   -7.9763
            28  O7a O    15.0536  -17.0795
            29  C1b C    16.2665  -19.1748
            30  C1y C    23.5252  -12.1871
            31  O2x O    24.7280  -10.0816
            32  O7a O    23.5252  -17.7813
            33  C1b C    21.0989  -17.7714
            34  C1x C    15.0334   -8.6781
            35  O2x O    16.2365   -6.5827
            36  C6a C    17.5097   -8.4877
            37  C7a C    13.8403  -17.7813
            38  C1b C    15.0536  -19.8668
            39  C1y C    24.7280  -12.8788
            40  O1a O    22.3021  -12.5298
            41  C1y C    25.9413  -10.7834
            42  C7a C    23.5351  -19.1748
            43  C1b C    21.0989  -19.1748
            44  C1y C    13.8103   -7.9763
            45  C1y C    15.0334   -5.8808
            46  O6a O    17.5001   -9.8611
            47  O6a O    18.6727   -7.7457
            48  C1b C    13.8403  -19.1748
            49  O6a O    12.6273  -17.0795
            50  C1b C    15.0536  -21.2703
            51  C1y C    25.9413  -12.1871
            52  O7a O    24.7280  -14.2825
            53  O2b O    27.1444  -10.0816
            54  C1b C    22.3221  -19.8767
            55  O6a O    24.7481  -19.8668
            56  C1b C    19.8958  -19.8668
            57  O2a O    12.7276   -8.7281
            58  C1y C    13.8103   -6.5827
            59  C1c C    14.9131   -4.4574
            60  C1b C    12.6273  -19.8767
            61  C1b C    13.8403  -21.9721
            62  N1b N    27.9820  -12.8788
            63  C7a C    25.9512  -14.9742
            64  P1b P    27.1543   -8.6880
            65  C1b C    22.3221  -21.2703
            66  C1b C    19.8958  -21.2703
            67  C1z C    11.5544   -9.4401
            68  O1a O    12.5769   -5.9512
            69  C1b C    16.0659   -3.6954
            70  O1a O    13.6797   -3.8256
            71  C1b C    12.6273  -21.2703
            72  C1b C    13.8403  -23.3758
            73  C5a C    29.2052  -12.1871
            74  C1b C    25.9512  -16.3779
            75  O6a O    27.1543  -14.2723
            76  O1c O    25.7509   -8.6781
            77  O1c O    27.1444   -7.2846
            78  O1c O    28.5478   -8.6880
            79  C1b C    21.1190  -21.9823
            80  C1b C    18.6825  -21.9721
            81  O2x O    10.3414   -8.7784
            82  C1x C    11.5846  -10.8235
            83  C6a C    12.7476  -10.1217
            84  O1a O    16.0656   -2.3219
            85  C1b C    11.4242  -21.9721
            86  C1b C    12.6372  -24.0674
            87  C1b C    30.4181  -12.8788
            88  O5a O    29.2052  -10.7834
            89  C1c C    27.1543  -17.0695
            90  C1b C    21.1289  -23.3758
            91  C1b C    18.6825  -23.3656
            92  C1y C     9.1482   -9.5001
            93  C1y C    10.4016  -11.5454
            94  O6a O    13.9304   -9.4201
            95  O6a O    12.7575  -11.4952
            96  C1b C    11.4340  -23.3758
            97  C1b C    12.6273  -25.4610
            98  C1c C    30.4181  -14.2723
            99  C1b C    27.1543  -18.4733
            100 O1a O    28.3775  -16.3779
            101 C1b C    19.9159  -24.0773
            102 C1b C    17.4794  -24.0674
            103 C1y C     9.1186  -10.8836
            104 C1c C     7.9352   -8.8284
            105 O1a O    10.4417  -12.9291
            106 C1b C    10.2211  -24.0674
            107 C1b C    11.4242  -26.1629
            108 C1b C    31.6212  -14.9742
            109 O1a O    29.2052  -14.9742
            110 C1b C    28.3775  -19.1650
            111 C1b C    19.9159  -25.4712
            112 C1b C    17.4794  -25.4712
            113 O1a O     7.9954  -11.6057
            114 C1b C     7.9050   -7.4550
            115 O1a O     6.7522   -9.5602
            116 C1b C    10.2211  -25.4712
            117 C1b C    11.4242  -27.5663
            118 C1b C    31.6212  -16.3980
            119 C1b C    28.3775  -20.5684
            120 C1b C    18.7129  -26.1727
            121 C1b C    16.2665  -26.1727
            122 O1a O     6.6920   -6.8034
            123 C1b C     9.0078  -26.1727
            124 C1b C    10.2109  -28.2583
            125 C1b C    32.8444  -17.1097
            126 C1b C    29.5806  -21.2703
            127 C1b C    18.7129  -27.5765
            128 C1b C    16.2764  -27.5663
            129 C1b C     9.0078  -27.5663
            130 C1a C    10.2109  -29.6518
            131 C1b C    32.8341  -18.5233
            132 C1b C    29.5907  -22.6638
            133 C1b C    17.4996  -28.2682
            134 C1a C    15.0634  -28.2682
            135 C1b C     7.8050  -28.2682
            136 C1b C    34.0676  -19.2350
            137 C1b C    30.8037  -23.3557
            138 C1b C    17.4996  -29.6718
            139 C1b C     7.8050  -29.6616
            140 C1b C    34.0573  -20.6388
            141 C1b C    30.7938  -24.7591
            142 C1a C    16.2965  -30.3737
            143 C1b C     6.5917  -30.3737
            144 C1b C    35.2706  -21.3405
            145 C1b C    31.9966  -25.4511
            146 C1a C     6.5917  -31.7672
            147 C1b C    35.2604  -22.7341
            148 C1b C    31.9966  -26.8546
            149 C1b C    36.4737  -23.4458
            150 C1b C    33.2098  -27.5564
            151 C1b C    36.4635  -24.8394
            152 C1a C    33.2098  -28.9499
            153 C1a C    37.6768  -25.5413
BOND        156
            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    8  14 1
            14    9  15 1
            15    9  16 2
            16   11  17 1
            17   12  18 1
            18   12  19 2
            19   13  20 1
            20   14  21 1
            21   14  22 1
            22   14  23 2
            23   15  24 1
            24   25  17 1 #Up
            25   18  26 1
            26   20  27 1
            27   24  28 1 #Up
            28   24  29 1
            29   25  30 1
            30   25  31 1
            31   26  32 1 #Down
            32   26  33 1
            33   27  34 1
            34   27  35 1
            35   27  36 1 #Up
            36   28  37 1
            37   29  38 1
            38   30  39 1
            39   30  40 1 #Down
            40   31  41 1
            41   32  42 1
            42   33  43 1
            43   34  44 1
            44   35  45 1
            45   36  46 1
            46   36  47 2
            47   37  48 1
            48   37  49 2
            49   38  50 1
            50   39  51 1
            51   39  52 1 #Up
            52   41  53 1 #Down
            53   42  54 1
            54   42  55 2
            55   43  56 1
            56   44  57 1 #Up
            57   44  58 1
            58   45  59 1 #Up
            59   48  60 1
            60   50  61 1
            61   51  62 1 #Down
            62   52  63 1
            63   53  64 1
            64   54  65 1
            65   56  66 1
            66   67  57 1 #Down
            67   58  68 1 #Up
            68   59  69 1
            69   59  70 1 #Down
            70   60  71 1
            71   61  72 1
            72   62  73 1
            73   63  74 1
            74   63  75 2
            75   64  76 1
            76   64  77 1
            77   64  78 2
            78   65  79 1
            79   66  80 1
            80   67  81 1
            81   67  82 1
            82   67  83 1 #Up
            83   69  84 1
            84   71  85 1
            85   72  86 1
            86   73  87 1
            87   73  88 2
            88   74  89 1
            89   79  90 1
            90   80  91 1
            91   81  92 1
            92   82  93 1
            93   83  94 1
            94   83  95 2
            95   85  96 1
            96   86  97 1
            97   87  98 1
            98   89  99 1
            99   89 100 1 #Down
            100  90 101 1
            101  91 102 1
            102  92 103 1
            103  92 104 1 #Up
            104  93 105 1 #Up
            105  96 106 1
            106  97 107 1
            107  98 108 1
            108  98 109 1 #Up
            109  99 110 1
            110 101 111 1
            111 102 112 1
            112 103 113 1 #Up
            113 104 114 1
            114 104 115 1 #Down
            115 106 116 1
            116 107 117 1
            117 108 118 1
            118 110 119 1
            119 111 120 1
            120 112 121 1
            121 114 122 1
            122 116 123 1
            123 117 124 1
            124 118 125 1
            125 119 126 1
            126 120 127 1
            127 121 128 1
            128 123 129 1
            129 124 130 1
            130 125 131 1
            131 126 132 1
            132 127 133 1
            133 128 134 1
            134 129 135 1
            135 131 136 1
            136 132 137 1
            137 133 138 1
            138 135 139 1
            139 136 140 1
            140 137 141 1
            141 138 142 1
            142 139 143 1
            143 140 144 1
            144 141 145 1
            145 143 146 1
            146 144 147 1
            147 145 148 1
            148 147 149 1
            149 148 150 1
            150 149 151 1
            151 150 152 1
            152 151 153 1
            153   7  10 1
            154  41  51 1
            155  45  58 1
            156  93 103 1

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