KEGG   COMPOUND: C06024Help
Entry
C06024                      Compound                               

Name
3-Deoxy-D-manno-octulosonyl-lipid IV(A);
KDO-lipid IV(A);
3-Deoxy-D-manno-octulosonyl-2',3',2',3'-tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-1,6-beta-D-glucosamine 1,4'-bisphosphate
Formula
C76H142N2O30P2
Exact mass
1624.9123
Mol weight
1625.8836
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Reaction
Pathway
Lipopolysaccharide biosynthesis
Metabolic pathways
Module
M00060  
Lipopolysaccharide biosynthesis, KDO2-lipid A
Enzyme
2.4.99.12       2.4.99.13       2.7.1.166
Brite
Lipids [BR:br08002]
 SL  Saccharolipids
  SL02 Acylaminosugar glycans
   C06024  KDO-lipid IV(A)
BRITE hierarchy
Other DBs
PubChem: 
ChEBI: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        110
            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   O2b 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  P1b P    13.0681  -13.7027
            15  C1b C    15.6896  -17.2137
            16  O6a O    14.4761  -15.1107
            17  C1b C    20.5163  -10.2192
            18  C1b C    20.5163  -15.8150
            19  O5a O    18.0984  -15.8150
            20  O2a O    14.4669   -9.5154
            21  O1c O    13.0586  -12.3129
            22  O1c O    11.6691  -13.7027
            23  O1c O    13.0586  -15.1017
            24  C1c C    14.4761  -17.9086
            25  C1y C    21.7299  -10.9234
            26  C1c C    20.5255  -17.2137
            27  C1z C    14.4484   -8.1164
            28  C1b C    14.4761  -19.3075
            29  O1a O    13.2625  -17.2137
            30  C1y C    21.7299  -12.3129
            31  O2x O    22.9434  -10.2287
            32  C1b C    19.3120  -17.9086
            33  O1a O    21.7390  -17.9086
            34  O2x O    14.4484   -6.7175
            35  C1x C    13.2440   -8.8203
            36  C6a C    15.7268   -8.6258
            37  C1b C    13.2625  -20.0117
            38  C1y C    22.9434  -13.0171
            39  O1a O    20.5163  -12.5979
            40  C1y C    24.1573  -10.9234
            41  C1b C    19.3120  -19.2981
            42  C1y C    13.2440   -6.0227
            43  C1y C    12.0305   -8.1164
            44  O6a O    15.7219   -9.8574
            45  O6a O    16.8850   -7.8848
            46  C1b C    13.2717  -21.4103
            47  C1y C    24.1573  -12.3129
            48  O7a O    22.9434  -14.4160
            49  O2b O    25.3614  -10.2287
            50  C1b C    18.0984  -20.0022
            51  C1y C    12.0305   -6.7175
            52  C1c C    13.2717   -4.7071
            53  O1a O    10.9372   -8.8667
            54  C1b C    12.0581  -22.1053
            55  N1b N    26.1300  -13.0171
            56  C7a C    24.1664  -15.1107
            57  P1b P    25.3614   -8.8297
            58  C1b C    18.0984  -21.4103
            59  O1a O    10.7890   -6.0966
            60  C1b C    14.4020   -4.0029
            61  O1a O    11.9007   -3.9567
            62  C1b C    12.0581  -23.5043
            63  C5a C    27.3438  -12.3129
            64  C1b C    24.1664  -16.5097
            65  O6a O    25.2217  -14.4160
            66  O1c O    23.9625   -8.8203
            67  O1c O    25.3522   -7.4307
            68  O1c O    26.7603   -8.8297
            69  C1b C    16.8941  -22.0959
            70  O1a O    14.4020   -2.5854
            71  C1b C    10.8446  -24.1990
            72  C1b C    28.5480  -13.0171
            73  O5a O    27.3345  -10.9140
            74  C1c C    25.3708  -17.2137
            75  C1b C    16.8941  -23.4949
            76  C1b C    10.8446  -25.5980
            77  C1c C    28.5574  -14.4160
            78  C1b C    25.3708  -18.6033
            79  O1a O    26.5752  -16.5097
            80  C1b C    15.6896  -24.2082
            81  C1b C     9.6310  -26.2927
            82  C1b C    29.7616  -15.1107
            83  O1a O    27.3438  -15.1107
            84  C1b C    26.5844  -19.2981
            85  C1b C    15.6896  -25.6071
            86  C1b C     9.6310  -27.6917
            87  C1b C    29.7524  -16.5283
            88  C1b C    26.5844  -20.6970
            89  C1b C    14.4852  -26.3019
            90  C1b C     8.4172  -28.3955
            91  C1b C    30.9845  -17.2509
            92  C1b C    27.7888  -21.4103
            93  C1b C    14.4852  -27.7008
            94  C1a C     8.4172  -29.7945
            95  C1b C    30.9845  -18.6683
            96  C1b C    27.7979  -22.8001
            97  C1a C    13.2717  -28.4050
            98  C1b C    32.2074  -19.3722
            99  C1b C    29.0023  -23.4949
            100 C1b C    32.1981  -20.7712
            101 C1b C    29.0023  -24.8844
            102 C1b C    33.4119  -21.4753
            103 C1b C    30.2158  -25.5886
            104 C1b C    33.4025  -22.8743
            105 C1b C    30.2068  -26.9875
            106 C1b C    34.6160  -23.5690
            107 C1b C    31.4203  -27.6917
            108 C1b C    34.6069  -24.9679
            109 C1a C    31.4203  -29.0812
            110 C1a C    35.8113  -25.6812
BOND        112
            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
            28   24  29 1 #Up
            29   25  30 1
            30   25  31 1
            31   26  32 1
            32   26  33 1 #Down
            33   27  34 1
            34   27  35 1
            35   27  36 1 #Up
            36   28  37 1
            37   30  38 1
            38   30  39 1 #Down
            39   31  40 1
            40   32  41 1
            41   34  42 1
            42   35  43 1
            43   36  44 1
            44   36  45 2
            45   37  46 1
            46   38  47 1
            47   38  48 1 #Up
            48   40  49 1 #Down
            49   41  50 1
            50   42  51 1
            51   42  52 1 #Up
            52   43  53 1 #Up
            53   46  54 1
            54   47  55 1 #Down
            55   48  56 1
            56   49  57 1
            57   50  58 1
            58   51  59 1 #Up
            59   52  60 1
            60   52  61 1 #Down
            61   54  62 1
            62   55  63 1
            63   56  64 1
            64   56  65 2
            65   57  66 1
            66   57  67 1
            67   57  68 2
            68   58  69 1
            69   60  70 1
            70   62  71 1
            71   63  72 1
            72   63  73 2
            73   64  74 1
            74   69  75 1
            75   71  76 1
            76   72  77 1
            77   74  78 1
            78   74  79 1 #Down
            79   75  80 1
            80   76  81 1
            81   77  82 1
            82   77  83 1 #Up
            83   78  84 1
            84   80  85 1
            85   81  86 1
            86   82  87 1
            87   84  88 1
            88   85  89 1
            89   86  90 1
            90   87  91 1
            91   88  92 1
            92   89  93 1
            93   90  94 1
            94   91  95 1
            95   92  96 1
            96   93  97 1
            97   95  98 1
            98   96  99 1
            99   98 100 1
            100  99 101 1
            101 100 102 1
            102 101 103 1
            103 102 104 1
            104 103 105 1
            105 104 106 1
            106 105 107 1
            107 106 108 1
            108 107 109 1
            109 108 110 1
            110   7  10 1
            111  40  47 1
            112  43  51 1

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