KEGG   COMPOUND: C21194
Entry
C21194                      Compound                               
Name
Hepta-acyl lipid A in lipopolysaccharide
Formula
C110H207N2O26P2R
Structure
Comment
Generic compound in reaction hierarchy
R = R core and O-antigen
Reaction
Enzyme
Brite
Lipids [BR:br08002]
 SL  Saccharolipids
  SL02 Acylaminosugar glycans
   C21194  Hepta-acyl lipid A in lipopolysaccharide
Other DBs
PubChem: 315431317
LinkDB
KCF data

ATOM        141
            1   C1y C    13.8726  -10.2603
            2   C1y C    15.0879   -9.5573
            3   C1y C    12.6576   -9.5573
            4   O7a O    13.8726  -11.6563
            5   C1y C    15.0879   -8.1613
            6   N1b N    16.2932  -10.2603
            7   C1y C    12.6576   -8.1613
            8   O2b O    11.4422  -10.2603
            9   C7a C    12.6675  -12.3593
            10  O2x O    13.8726   -7.4583
            11  O2a O    16.2932   -7.4583
            12  C5a C    16.2932  -11.6563
            13  C1b C    11.5122   -7.4583
            14  P1b P    10.0362  -10.2501
            15  C1b C    12.6675  -13.7553
            16  O6a O    11.4422  -11.6665
            17  C1b C    17.4983   -6.7551
            18  C1b C    17.4983  -12.3593
            19  O5a O    15.0879  -12.3593
            20  O2a O    11.4789   -6.0523
            21  O1c O    10.0260   -8.8540
            22  O1c O     8.6403  -10.2501
            23  O1c O    10.0260  -11.6563
            24  C1c C    11.4524  -14.4683
            25  C1y C    18.7237   -7.4583
            26  C1c C    17.4616  -13.7652
            27  O7a O    10.2372  -13.7652
            28  C1b C    11.4524  -15.8642
            29  C1y C    18.7237   -8.8643
            30  O2x O    19.9285   -6.7551
            31  O7a O    18.7237  -14.4683
            32  C1b C    16.2932  -14.4584
            33  C7a C     9.0219  -14.4683
            34  C1b C    10.2372  -16.5575
            35  C1y C    19.9285   -9.5573
            36  O1a O    17.4983   -9.4172
            37  C1y C    21.1440   -7.4583
            38  C7a C    18.7335  -15.8642
            39  C1b C    16.2932  -15.8642
            40  C1b C     9.0219  -15.8642
            41  O6a O     7.8067  -13.7652
            42  C1b C    10.2372  -17.9633
            43  C1y C    21.1440   -8.8643
            44  O7a O    19.9285  -10.9635
            45  O2b O    22.3492   -6.7551
            46  C1b C    17.5184  -16.5674
            47  O6a O    19.9488  -16.5575
            48  C1b C    15.0879  -16.5575
            49  C1b C     7.8067  -16.5674
            50  C1b C     9.0219  -18.6664
            51  N1b N    22.3492   -9.5573
            52  P1b P    22.3591   -5.3592
            53  C1b C    17.5184  -17.9633
            54  C1b C    15.0879  -17.9633
            55  C1b C     7.8067  -17.9633
            56  C1b C     9.0219  -20.0725
            57  O1c O    20.9532   -5.3493
            58  O1c O    22.3492   -3.9533
            59  O1c O    23.7551   -5.3592
            60  C1b C    16.3133  -18.6766
            61  C1b C    13.8726  -18.6664
            62  C1b C     6.6015  -18.6664
            63  C1b C     7.8166  -20.7654
            64  C1b C    16.3232  -20.0725
            65  C1b C    13.8726  -20.0623
            66  C1b C     6.6114  -20.0725
            67  C1b C     7.8067  -22.1614
            68  C1b C    15.1081  -20.7754
            69  C1b C    12.6675  -20.7654
            70  C1b C     5.3963  -20.7654
            71  C1b C     6.6015  -22.8645
            72  C1b C    15.1081  -22.1716
            73  C1b C    12.6675  -22.1716
            74  C1b C     5.3963  -22.1716
            75  C1b C     6.6015  -24.2703
            76  C1b C    13.9029  -22.8744
            77  C1b C    11.4524  -22.8744
            78  C1b C     4.1810  -22.8744
            79  C1b C     5.3862  -24.9635
            80  C1b C    13.9029  -24.2805
            81  C1b C    11.4623  -24.2703
            82  C1b C     4.1810  -24.2703
            83  C1a C     5.3862  -26.3596
            84  C1b C    12.6877  -24.9734
            85  C1a C    10.2471  -24.9734
            86  C1b C     2.9761  -24.9734
            87  C1b C    12.6877  -26.3797
            88  C1b C     2.9761  -26.3695
            89  C1a C    11.4824  -27.0826
            90  C1b C     1.7608  -27.0826
            91  C1a C     1.7608  -28.4786
            92  C7a C    20.9161  -11.9471
            93  C1b C    20.5538  -13.3009
            94  C1c C    21.5449  -14.2914
            95  C1b C    21.1826  -15.6451
            96  C1b C    22.1737  -16.6357
            97  C1b C    21.8114  -17.9894
            98  C1b C    22.8025  -18.9800
            99  C1b C    22.4401  -20.3337
            100 C1b C    23.4312  -21.3242
            101 C1b C    23.0689  -22.6780
            102 C1b C    24.0600  -23.6685
            103 C1b C    23.6977  -25.0221
            104 C1b C    24.6888  -26.0128
            105 C1a C    24.3265  -27.3664
            106 O6a O    22.2621  -11.5849
            107 O1a O    22.9170  -13.9237
            108 C5a C    23.5529  -10.2467
            109 C1b C    23.5538  -11.6472
            110 C1c C    24.7670  -12.3468
            111 C1b C    24.7678  -13.7473
            112 C1b C    25.9812  -14.4468
            113 C1b C    25.9820  -15.8474
            114 C1b C    27.1952  -16.5470
            115 C1b C    27.1960  -17.9475
            116 C1b C    28.4094  -18.6471
            117 C1b C    28.4102  -20.0475
            118 C1b C    29.6235  -20.7472
            119 C1b C    29.6243  -22.1477
            120 C1b C    30.8376  -22.8472
            121 C1a C    30.8384  -24.2478
            122 O5a O    24.7644   -9.5441
            123 O7a O    25.9790  -11.6461
            124 C7a C    27.1944  -12.3473
            125 C1b C    27.1254  -13.7478
            126 C1b C    28.4089  -14.4471
            127 C1b C    28.4099  -15.8477
            128 C1b C    29.6234  -16.5471
            129 C1b C    29.6244  -17.9476
            130 C1b C    30.8378  -18.6470
            131 C1b C    30.8388  -20.0474
            132 C1b C    32.0523  -20.7469
            133 C1b C    32.0533  -22.1474
            134 C1b C    33.2668  -22.8467
            135 C1b C    33.2678  -24.2473
            136 C1b C    34.4812  -24.9466
            137 C1b C    34.4822  -26.3472
            138 C1b C    35.6956  -27.0465
            139 C1a C    35.6966  -28.4470
            140 O6a O    28.4068  -11.6464
            141 R   R    10.2664   -5.3523
BOND        142
            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   24  27 1 #Up
            27   24  28 1
            28   25  29 1
            29   25  30 1
            30   26  31 1 #Down
            31   26  32 1
            32   27  33 1
            33   28  34 1
            34   29  35 1
            35   29  36 1 #Down
            36   30  37 1
            37   31  38 1
            38   32  39 1
            39   33  40 1
            40   33  41 2
            41   34  42 1
            42   35  43 1
            43   35  44 1 #Up
            44   37  45 1 #Down
            45   38  46 1
            46   38  47 2
            47   39  48 1
            48   40  49 1
            49   42  50 1
            50   43  51 1 #Down
            51   45  52 1
            52   46  53 1
            53   48  54 1
            54   49  55 1
            55   50  56 1
            56   52  57 1
            57   52  58 1
            58   52  59 2
            59   53  60 1
            60   54  61 1
            61   55  62 1
            62   56  63 1
            63   60  64 1
            64   61  65 1
            65   62  66 1
            66   63  67 1
            67   64  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   75  79 1
            79   76  80 1
            80   77  81 1
            81   78  82 1
            82   79  83 1
            83   80  84 1
            84   81  85 1
            85   82  86 1
            86   84  87 1
            87   86  88 1
            88   87  89 1
            89   88  90 1
            90   90  91 1
            91    7  10 1
            92   37  43 1
            93   44  92 1
            94   92  93 1
            95   93  94 1
            96   94  95 1
            97   95  96 1
            98   96  97 1
            99   97  98 1
            100  98  99 1
            101  99 100 1
            102 100 101 1
            103 101 102 1
            104 102 103 1
            105 103 104 1
            106 104 105 1
            107  92 106 2
            108  94 107 1 #Down
            109  51 108 1
            110 108 109 1
            111 109 110 1
            112 110 111 1
            113 111 112 1
            114 112 113 1
            115 113 114 1
            116 114 115 1
            117 115 116 1
            118 116 117 1
            119 117 118 1
            120 118 119 1
            121 119 120 1
            122 120 121 1
            123 108 122 2
            124 110 123 1 #Down
            125 123 124 1
            126 124 125 1
            127 125 126 1
            128 126 127 1
            129 127 128 1
            130 128 129 1
            131 129 130 1
            132 130 131 1
            133 131 132 1
            134 132 133 1
            135 133 134 1
            136 134 135 1
            137 135 136 1
            138 136 137 1
            139 137 138 1
            140 138 139 1
            141 124 140 2
            142  20 141 1

» Japanese version

DBGET integrated database retrieval system