KEGG   COMPOUND: C04919Help
Entry
C04919                      Compound                               

Name
2,3,2'3'-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-1,6-beta-D-glucosamine 1,4'-bisphosphate;
2,3,2'3'-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-1,6-beta-D-glucosamine 1,4'-bisphosphate;
Lipid A disaccharide bisphosphate;
Lipid IV(A);
2-Deoxy-2-{[(3R)-3-hydroxytetradecanoyl]amino}-3-O-[(3R)-3-hydroxytetradecanoyl]-4-O-phospho-beta-D-glucopyranosyl-(1->6)-2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-1-O-phospho-alpha-D-glucopyranose
Formula
C68H130N2O23P2
Exact mass
1404.854
Mol weight
1405.7069
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Lipopolysaccharide biosynthesis
Metabolic pathways
Module
M00060  
Lipopolysaccharide biosynthesis, KDO2-lipid A
Enzyme
2.4.2.43        2.4.99.12       2.7.1.130
Brite
Lipids [BR:br08002]
 SL  Saccharolipids
  SL01 Acylaminosugars
   SL0104 Tetraacylaminosugars
    C04919  Lipid IV(A)
BRITE hierarchy
Other DBs
PubChem: 
ChEBI: 
LipidBank: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        95
            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  O1a 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  C1b C    14.4761  -19.3075
            28  O1a O    13.2625  -17.2137
            29  C1y C    21.7299  -12.3129
            30  O2x O    22.9434  -10.2287
            31  C1b C    19.3120  -17.9086
            32  O1a O    21.7390  -17.9086
            33  C1b C    13.2625  -20.0117
            34  C1y C    22.9434  -13.0171
            35  O1a O    20.5163  -12.5979
            36  C1y C    24.1573  -10.9234
            37  C1b C    19.3120  -19.2981
            38  C1b C    13.2717  -21.4103
            39  C1y C    24.1573  -12.3129
            40  O7a O    22.9434  -14.4160
            41  O2b O    25.3614  -10.2287
            42  C1b C    18.0984  -20.0022
            43  C1b C    12.0581  -22.1053
            44  N1b N    26.1300  -13.0171
            45  C7a C    24.1664  -15.1107
            46  P1b P    25.3614   -8.8297
            47  C1b C    18.0984  -21.4103
            48  C1b C    12.0581  -23.5043
            49  C5a C    27.3438  -12.3129
            50  C1b C    24.1664  -16.5097
            51  O6a O    25.2217  -14.4160
            52  O1c O    23.9625   -8.8203
            53  O1c O    25.3522   -7.4307
            54  O1c O    26.7603   -8.8297
            55  C1b C    16.8941  -22.0959
            56  C1b C    10.8446  -24.1990
            57  C1b C    28.5480  -13.0171
            58  O5a O    27.3345  -10.9140
            59  C1c C    25.3708  -17.2137
            60  C1b C    16.8941  -23.4949
            61  C1b C    10.8446  -25.5980
            62  C1c C    28.5574  -14.4160
            63  C1b C    25.3708  -18.6033
            64  O1a O    26.5752  -16.5097
            65  C1b C    15.6896  -24.2082
            66  C1b C     9.6310  -26.2927
            67  C1b C    29.7616  -15.1107
            68  O1a O    27.3438  -15.1107
            69  C1b C    26.5844  -19.2981
            70  C1b C    15.6896  -25.6071
            71  C1b C     9.6310  -27.6917
            72  C1b C    29.7524  -16.5283
            73  C1b C    26.5844  -20.6970
            74  C1b C    14.4852  -26.3019
            75  C1b C     8.4172  -28.3955
            76  C1b C    30.9846  -17.2509
            77  C1b C    27.7888  -21.4103
            78  C1b C    14.4852  -27.7008
            79  C1a C     8.4172  -29.7945
            80  C1b C    30.9846  -18.6683
            81  C1b C    27.7979  -22.8001
            82  C1a C    13.2717  -28.4050
            83  C1b C    32.2075  -19.3722
            84  C1b C    29.0023  -23.4949
            85  C1b C    32.1982  -20.7712
            86  C1b C    29.0023  -24.8844
            87  C1b C    33.4120  -21.4753
            88  C1b C    30.2158  -25.5886
            89  C1b C    33.4026  -22.8743
            90  C1b C    30.2068  -26.9875
            91  C1b C    34.6161  -23.5690
            92  C1b C    31.4204  -27.6917
            93  C1b C    34.6070  -24.9679
            94  C1a C    31.4204  -29.0812
            95  C1a C    35.8114  -25.6812
BOND        96
            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
            27   24  28 1 #Up
            28   25  29 1
            29   25  30 1
            30   26  31 1
            31   26  32 1 #Down
            32   27  33 1
            33   29  34 1
            34   29  35 1 #Down
            35   30  36 1
            36   31  37 1
            37   33  38 1
            38   34  39 1
            39   34  40 1 #Up
            40   36  41 1 #Down
            41   37  42 1
            42   38  43 1
            43   39  44 1 #Down
            44   40  45 1
            45   41  46 1
            46   42  47 1
            47   43  48 1
            48   44  49 1
            49   45  50 1
            50   45  51 2
            51   46  52 1
            52   46  53 1
            53   46  54 2
            54   47  55 1
            55   48  56 1
            56   49  57 1
            57   49  58 2
            58   50  59 1
            59   55  60 1
            60   56  61 1
            61   57  62 1
            62   59  63 1
            63   59  64 1 #Down
            64   60  65 1
            65   61  66 1
            66   62  67 1
            67   62  68 1 #Up
            68   63  69 1
            69   65  70 1
            70   66  71 1
            71   67  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   80  83 1
            83   81  84 1
            84   83  85 1
            85   84  86 1
            86   85  87 1
            87   86  88 1
            88   87  89 1
            89   88  90 1
            90   89  91 1
            91   90  92 1
            92   91  93 1
            93   92  94 1
            94   93  95 1
            95    7  10 1
            96   36  39 1

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