KEGG   COMPOUND: C22002
Entry
C22002                      Compound                               

Name
Lipid IIB
Formula
C89H169N3O27P2
Exact mass
1774.1419
Mol weight
1775.2456
Structure
Reaction
Pathway
map00540  Lipopolysaccharide biosynthesis
Enzyme
2.3.1.251       2.4.2.43
Other DBs
PubChem: 384585063
LinkDB
KCF data

ATOM        121
            1   C1x C    16.8415   -3.9415
            2   C1y C    16.8415   -5.3280
            3   C1y C    18.0201   -6.0213
            4   C1y C    19.2679   -5.3280
            5   C1y C    19.2679   -3.9415
            6   O2x O    18.0201   -3.2482
            7   N1a N    15.7323   -6.0213
            8   O1a O    18.0201   -7.3385
            9   O1a O    19.9612   -6.5065
            10  C1y C    12.8206  -11.0821
            11  C1y C    11.7807  -10.4581
            12  C1y C    14.0685  -10.4581
            13  O7a O    12.8206  -12.4686
            14  C1y C    11.7807   -9.0716
            15  O2b O    10.6022  -11.0821
            16  C1y C    14.0685   -9.0716
            17  N1b N    15.2470  -11.0821
            18  C7a C    11.7807  -13.0925
            19  O2x O    12.8206   -8.3784
            20  C1b C    10.5329   -8.3784
            21  P1b P     9.2157  -11.0821
            22  O2a O    15.2470   -8.3784
            23  C5a C    15.2470  -12.4686
            24  C1b C    11.7807  -14.4791
            25  O6a O    10.6022  -12.4686
            26  O1a O    10.5329   -6.9918
            27  O1c O     9.2157   -9.7649
            28  O1c O     7.8291  -11.0821
            29  O1c O     9.2157  -12.4686
            30  C1b C    16.3562   -7.6851
            31  C1b C    16.3562  -13.0925
            32  O5a O    14.0685  -13.0925
            33  C1c C    10.6022  -15.1723
            34  C1y C    17.6041   -8.3784
            35  C1c C    16.3562  -14.4791
            36  C1b C    10.6022  -16.4895
            37  O1a O     9.4236  -14.4791
            38  C1y C    17.6041   -9.7649
            39  O2x O    18.7827   -7.6851
            40  C1b C    15.2470  -15.1723
            41  O1a O    17.6041  -15.1723
            42  C1b C     9.4236  -17.1828
            43  C1y C    18.7827  -10.4581
            44  O1a O    16.3562  -10.1115
            45  C1y C    19.9612   -8.3784
            46  C1b C    15.2470  -16.4895
            47  C1b C     9.4236  -18.5693
            48  C1y C    19.9612   -9.7649
            49  O7a O    18.7827  -11.7753
            50  O2b O    21.9023   -6.2986
            51  C1b C    14.0685  -17.1828
            52  C1b C     8.1758  -19.2626
            53  N1b N    21.8330  -10.4581
            54  P1b P    21.9023   -4.9814
            55  C1b C    14.0685  -18.5693
            56  C1b C     8.1758  -20.5797
            57  C5a C    23.0809   -9.7649
            58  O1c O    20.6545   -4.9120
            59  O1c O    23.2889   -4.9814
            60  C1b C    12.8206  -19.2626
            61  C1b C     7.0665  -21.2037
            62  C1b C    24.2594  -10.4581
            63  O5a O    23.1502   -8.3784
            64  C1b C    12.8206  -20.5797
            65  C1b C     7.0665  -22.5902
            66  C1c C    24.2594  -11.7753
            67  C1b C    11.7807  -21.2037
            68  C1b C     5.8880  -23.2835
            69  C1b C    25.3686  -12.4686
            70  O7a O    23.0809  -12.4686
            71  C1b C    11.7807  -22.5902
            72  C1b C     5.8880  -24.6007
            73  C1b C    25.3686  -13.7858
            74  C1b C    10.6022  -23.2835
            75  C1b C     4.6401  -25.2939
            76  C1b C    26.6165  -14.5484
            77  C1b C    10.6022  -24.6007
            78  C1a C     4.6401  -26.6804
            79  C1b C    26.6165  -15.8656
            80  C1a C     9.4236  -25.2939
            81  C1b C    27.7951  -16.5588
            82  C1b C    27.7951  -17.9454
            83  C1b C    28.9043  -18.6386
            84  C1b C    28.9043  -19.9558
            85  C1b C    30.0828  -20.6491
            86  C1b C    30.0828  -21.9663
            87  C1a C    31.2614  -22.6595
            88  O2b O    21.9023   -3.5948
            89  C7a C    23.0809  -13.8551
            90  C1b C    24.2594  -14.5484
            91  C1b C    24.2594  -15.9349
            92  C1b C    25.5073  -16.6282
            93  C1b C    25.5073  -18.0147
            94  C1b C    26.6858  -18.7079
            95  C1b C    26.6858  -20.0945
            96  C1b C    27.8644  -20.7877
            97  C1b C    27.8644  -22.1742
            98  C1b C    29.1123  -22.8675
            99  C1b C    29.1123  -24.2540
            100 C1b C    30.2908  -24.9473
            101 C1b C    30.2908  -26.3338
            102 C1b C    31.4693  -27.0271
            103 C1b C    31.4693  -28.4136
            104 C1a C    32.7172  -29.1069
            105 O6a O    21.9023  -14.5484
            106 C7a C    18.7827  -13.1619
            107 C1b C    19.9612  -13.8551
            108 C1c C    19.9612  -15.2416
            109 C1b C    21.2091  -15.9349
            110 C1b C    21.2091  -17.3214
            111 C1b C    22.3876  -18.0147
            112 C1b C    22.3876  -19.4012
            113 C1b C    23.5662  -20.0945
            114 C1b C    23.5662  -21.4810
            115 C1b C    24.7447  -22.1742
            116 C1b C    24.7447  -23.5608
            117 C1b C    25.9926  -24.2540
            118 C1b C    25.9926  -25.6406
            119 C1a C    27.1711  -26.3338
            120 O6a O    17.4655  -14.1324
            121 O1a O    18.7860  -16.4175
BOND        123
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     2   7 1 #Up
            8     3   8 1 #Up
            9     4   9 1 #Down
            10   10  11 1
            11   10  12 1
            12   10  13 1 #Up
            13   11  14 1
            14   11  15 1 #Down
            15   12  16 1
            16   12  17 1 #Down
            17   13  18 1
            18   14  19 1
            19   14  20 1 #Up
            20   15  21 1
            21   16  22 1 #Up
            22   17  23 1
            23   18  24 1
            24   18  25 2
            25   20  26 1
            26   21  27 1
            27   21  28 1
            28   21  29 2
            29   22  30 1
            30   23  31 1
            31   23  32 2
            32   24  33 1
            33   34  30 1 #Up
            34   31  35 1
            35   33  36 1
            36   33  37 1 #Up
            37   34  38 1
            38   34  39 1
            39   35  40 1
            40   35  41 1 #Down
            41   36  42 1
            42   38  43 1
            43   38  44 1 #Down
            44   39  45 1
            45   40  46 1
            46   42  47 1
            47   43  48 1
            48   43  49 1 #Up
            49   45  50 1 #Down
            50   46  51 1
            51   47  52 1
            52   48  53 1 #Down
            53   50  54 1
            54   51  55 1
            55   52  56 1
            56   53  57 1
            57   54  58 1
            58   54  59 2
            59   55  60 1
            60   56  61 1
            61   57  62 1
            62   57  63 2
            63   60  64 1
            64   61  65 1
            65   62  66 1
            66   64  67 1
            67   65  68 1
            68   66  69 1
            69   66  70 1 #Up
            70   67  71 1
            71   68  72 1
            72   69  73 1
            73   71  74 1
            74   72  75 1
            75   73  76 1
            76   74  77 1
            77   75  78 1
            78   76  79 1
            79   77  80 1
            80   79  81 1
            81   81  82 1
            82   82  83 1
            83   83  84 1
            84   84  85 1
            85   85  86 1
            86   86  87 1
            87   16  19 1
            88   45  48 1
            89   54  88 1
            90    5  88 1 #Down
            91   70  89 1
            92   89  90 1
            93   90  91 1
            94   91  92 1
            95   92  93 1
            96   93  94 1
            97   94  95 1
            98   95  96 1
            99   96  97 1
            100  97  98 1
            101  98  99 1
            102  99 100 1
            103 100 101 1
            104 101 102 1
            105 102 103 1
            106 103 104 1
            107  89 105 2
            108  49 106 1
            109 106 107 1
            110 107 108 1
            111 108 109 1
            112 109 110 1
            113 110 111 1
            114 111 112 1
            115 112 113 1
            116 113 114 1
            117 114 115 1
            118 115 116 1
            119 116 117 1
            120 117 118 1
            121 118 119 1
            122 106 120 2
            123 108 121 1 #Up

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