KEGG   COMPOUND: C21463Help
Entry
C21463                      Compound                               

Name
Kdo2-lipid A 1,4'-bis(2-aminoethyl diphosphate)
Formula
C114H214N4O45P4
Exact mass
2483.3531
Mol weight
2484.8138
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00540  Lipopolysaccharide biosynthesis
Enzyme
Other DBs
PubChem: 329728086
KCF data Show

ATOM        167
            1   C1y C    15.1587  -13.5653
            2   C1y C    16.3709  -12.8642
            3   C1y C    13.9469  -12.8642
            4   O7a O    15.1587  -14.9576
            5   C1y C    16.3709  -11.4718
            6   N1b N    17.5728  -13.5653
            7   C1y C    13.9469  -11.4718
            8   O2b O    12.7348  -13.5653
            9   C7a C    13.9567  -15.6588
            10  O2x O    15.1587  -10.7707
            11  O2a O    17.5728  -10.7707
            12  C5a C    17.5728  -14.9576
            13  C1b C    12.7348  -10.7707
            14  P1b P    11.3327  -13.5552
            15  C1b C    13.9567  -17.0509
            16  O6a O    12.7348  -14.9678
            17  C1b C    18.7749  -10.0695
            18  C1b C    18.7749  -15.6588
            19  O5a O    16.3709  -15.6588
            20  O2a O    12.7249   -9.3686
            21  O1c O    11.3226  -12.1628
            22  O2c O     9.9405  -13.5552
            23  O1c O    11.3226  -14.9576
            24  C1c C    12.7450  -17.7620
            25  C1y C    19.9969  -10.7707
            26  C1c C    18.7846  -17.0609
            27  C1z C    12.7150   -7.9662
            28  O7a O    11.5332  -17.0609
            29  C1b C    12.7450  -19.1542
            30  C1y C    19.9969  -12.1731
            31  O2x O    21.1985  -10.0695
            32  O7a O    19.9969  -17.7620
            33  C1b C    17.5728  -17.7521
            34  C1x C    11.5130   -8.6674
            35  O2x O    12.7150   -6.5740
            36  C6a C    13.9870   -8.4771
            37  C7a C    10.3210  -17.7620
            38  C1b C    11.5332  -19.8455
            39  C1y C    21.1985  -12.8642
            40  O1a O    18.7749  -12.5154
            41  C1y C    22.4106  -10.7707
            42  C7a C    20.0068  -19.1542
            43  C1b C    17.5728  -19.1542
            44  C1y C    10.2911   -7.9662
            45  C1y C    11.5130   -5.8727
            46  O6a O    13.9774   -9.8493
            47  O6a O    15.1489   -7.7359
            48  C1b C    10.3210  -19.1542
            49  O6a O     9.1092  -17.0609
            50  C1b C    11.5332  -21.2477
            51  C1y C    22.4106  -12.1731
            52  O7a O    21.1985  -14.2666
            53  O2b O    23.6127  -10.0695
            54  C1b C    18.7948  -19.8554
            55  O6a O    21.2186  -19.8455
            56  C1b C    16.3709  -19.8455
            57  O2a O     9.2094   -8.7174
            58  C1y C    10.2911   -6.5740
            59  C1c C    11.3928   -4.4507
            60  C1b C     9.1092  -19.8554
            61  C1b C    10.3210  -21.9488
            62  N1b N    24.4494  -12.8642
            63  C7a C    22.4205  -14.9576
            64  P1b P    23.6225   -8.6773
            65  C1b C    18.7948  -21.2477
            66  C1b C    16.3709  -21.2477
            67  O1a O     9.0589   -5.9430
            68  C1b C    12.5445   -3.6894
            69  O1a O    10.1606   -3.8194
            70  C1b C     9.1092  -21.2477
            71  C1b C    10.3210  -23.3512
            72  C5a C    25.6715  -12.1731
            73  C1b C    22.4205  -16.3600
            74  O6a O    23.6225  -14.2564
            75  O1c O    22.2204   -8.6674
            76  O1c O    23.6127   -7.2752
            77  O2c O    25.0147   -8.6773
            78  C1b C    17.5929  -21.9590
            79  C1b C    15.1587  -21.9488
            80  O1a O    12.5442   -2.3171
            81  C1b C     7.9072  -21.9488
            82  C1b C     9.1191  -24.0422
            83  C1b C    26.8832  -12.8642
            84  O5a O    25.6715  -10.7707
            85  C1c C    23.6225  -17.0509
            86  C1b C    17.6028  -23.3512
            87  C1b C    15.1587  -23.3411
            88  C1b C     7.9170  -23.3512
            89  C1b C     9.1092  -25.4345
            90  C1c C    26.8832  -14.2564
            91  C1b C    23.6225  -18.4534
            92  O1a O    24.8446  -16.3600
            93  C1b C    16.3910  -24.0521
            94  C1b C    13.9567  -24.0422
            95  C1b C     6.7053  -24.0422
            96  C1b C     7.9072  -26.1357
            97  C1b C    28.0852  -14.9576
            98  O1a O    25.6715  -14.9576
            99  C1b C    24.8446  -19.1444
            100 C1b C    16.3910  -25.4447
            101 C1b C    13.9567  -25.4447
            102 C1b C     6.7053  -25.4447
            103 C1b C     7.9072  -27.5378
            104 C1b C    28.0852  -16.3801
            105 C1b C    24.8446  -20.5465
            106 C1b C    15.1890  -26.1456
            107 C1b C    12.7450  -26.1456
            108 C1b C     5.4931  -26.1456
            109 C1b C     6.6951  -28.2292
            110 C1b C    29.3073  -17.0911
            111 C1b C    26.0465  -21.2477
            112 C1b C    15.1890  -27.5480
            113 C1b C    12.6850  -27.5378
            114 C1b C     5.4931  -27.5378
            115 C1a C     6.6951  -29.6213
            116 C1b C    29.2970  -18.5034
            117 C1b C    26.0566  -22.6400
            118 C1b C    13.9769  -28.2391
            119 C1a C    11.5430  -28.2391
            120 C1b C     4.2914  -28.2391
            121 C1b C    30.5293  -19.2143
            122 C1b C    27.2685  -23.3312
            123 C1b C    13.9769  -29.6413
            124 C1b C     4.2914  -29.6311
            125 C1b C    30.5190  -20.6169
            126 C1b C    27.2586  -24.7333
            127 C1a C    12.7750  -30.3426
            128 C1b C     3.0793  -30.3426
            129 C1b C    31.7311  -21.3179
            130 C1b C    28.4603  -25.4246
            131 C1a C     3.0793  -31.7347
            132 C1b C    31.7210  -22.7102
            133 C1b C    28.4603  -26.8268
            134 C1b C    32.9332  -23.4212
            135 C1b C    29.6723  -27.5279
            136 C1b C    32.9230  -24.8135
            137 C1a C    29.6723  -28.9201
            138 C1a C    34.1351  -25.5147
            139 P1b P    26.4134   -8.6773
            140 O1c O    26.4134  -10.0759
            141 O1c O    26.4134   -7.2786
            142 O2b O    27.8121   -8.6773
            143 C1b C    29.0355   -7.9699
            144 C1b C    30.2468   -8.6693
            145 N1a N    31.4582   -7.9699
            146 C1z C     7.9983   -8.0182
            147 O2x O     7.9988   -6.6403
            148 C1y C     6.7880   -5.9407
            149 C1y C     5.5767   -6.6394
            150 C1y C     5.5762   -8.0173
            151 C1x C     6.7871   -8.7170
            152 C6a C     7.9983   -9.4166
            153 O6a O     6.8038  -10.1067
            154 O6a O     9.2430  -10.1350
            155 O1a O     4.3618   -8.7178
            156 O1a O     4.3717   -5.9431
            157 C1c C     6.7885   -4.5424
            158 C1b C     7.9880   -3.8503
            159 O1a O     5.5658   -3.8359
            160 O1a O     7.9880   -2.4519
            161 P1b P     8.5421  -13.5552
            162 O2b O     7.1437  -13.5552
            163 O1c O     8.5421  -14.9536
            164 O1c O     8.5421  -12.1568
            165 C1b C     5.9114  -12.8629
            166 C1b C     4.7002  -13.5621
            167 N1a N     3.4892  -12.8629
BOND        170
            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   58  67 1 #Up
            67   59  68 1
            68   59  69 1 #Down
            69   60  70 1
            70   61  71 1
            71   62  72 1
            72   63  73 1
            73   63  74 2
            74   64  75 1
            75   64  76 2
            76   64  77 1
            77   65  78 1
            78   66  79 1
            79   68  80 1
            80   70  81 1
            81   71  82 1
            82   72  83 1
            83   72  84 2
            84   73  85 1
            85   78  86 1
            86   79  87 1
            87   81  88 1
            88   82  89 1
            89   83  90 1
            90   85  91 1
            91   85  92 1 #Down
            92   86  93 1
            93   87  94 1
            94   88  95 1
            95   89  96 1
            96   90  97 1
            97   90  98 1 #Up
            98   91  99 1
            99   93 100 1
            100  94 101 1
            101  95 102 1
            102  96 103 1
            103  97 104 1
            104  99 105 1
            105 100 106 1
            106 101 107 1
            107 102 108 1
            108 103 109 1
            109 104 110 1
            110 105 111 1
            111 106 112 1
            112 107 113 1
            113 108 114 1
            114 109 115 1
            115 110 116 1
            116 111 117 1
            117 112 118 1
            118 113 119 1
            119 114 120 1
            120 116 121 1
            121 117 122 1
            122 118 123 1
            123 120 124 1
            124 121 125 1
            125 122 126 1
            126 123 127 1
            127 124 128 1
            128 125 129 1
            129 126 130 1
            130 128 131 1
            131 129 132 1
            132 130 133 1
            133 132 134 1
            134 133 135 1
            135 134 136 1
            136 135 137 1
            137 136 138 1
            138   7  10 1
            139  41  51 1
            140  45  58 1
            141  77 139 1
            142 139 140 1
            143 139 141 2
            144 139 142 1
            145 142 143 1
            146 143 144 1
            147 144 145 1
            148 146  57 1 #Down
            149 146 147 1
            150 147 148 1
            151 148 149 1
            152 149 150 1
            153 150 151 1
            154 146 151 1
            155 146 152 1 #Up
            156 152 153 1
            157 152 154 2
            158 150 155 1 #Up
            159 149 156 1 #Up
            160 148 157 1 #Up
            161 157 158 1
            162 157 159 1 #Down
            163 158 160 1
            164  22 161 1
            165 161 162 1
            166 161 163 2
            167 161 164 1
            168 162 165 1
            169 165 166 1
            170 166 167 1

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