KEGG   COMPOUND: C06025Help
Entry
C06025                      Compound                               

Name
Di[3-deoxy-D-manno-octulosonyl]-lipid IV(A);
KDO2-lipid IV(A)
Formula
C84H154N2O37P2
Exact mass
1844.9706
Mol weight
1846.0603
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Reaction
Pathway
Lipopolysaccharide biosynthesis
Metabolic pathways
Module
M00060  
Lipopolysaccharide biosynthesis, KDO2-lipid A
Enzyme
2.3.1.241       2.3.1.242       2.4.2.43        2.4.99.13       
2.4.99.14       2.7.8.42
Brite
Lipids [BR:br08002]
 SL  Saccharolipids
  SL02 Acylaminosugar glycans
   C06025  KDO2-lipid IV(A)
BRITE hierarchy
Other DBs
PubChem: 
ChEBI: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        125
            1   C1y C    18.6501  -13.7430
            2   C1y C    17.4405  -13.0451
            3   C1y C    19.8601  -13.0451
            4   O7a O    18.6501  -15.1389
            5   C1y C    17.4405  -11.6490
            6   O2b O    16.2212  -13.7430
            7   C1y C    19.8601  -11.6490
            8   N1b N    21.0701  -13.7336
            9   C7a C    17.4497  -15.8368
            10  O2x O    18.6501  -10.9419
            11  C1b C    16.1513  -10.9419
            12  P1b P    14.8253  -13.7336
            13  O2a O    21.0701  -10.9419
            14  C5a C    21.0701  -15.1389
            15  C1b C    17.4497  -17.2422
            16  O6a O    16.2212  -15.1389
            17  O2a O    16.1513   -9.5457
            18  O1c O    14.8158  -12.3377
            19  O1c O    13.4200  -13.7336
            20  O1c O    14.8156  -15.1297
            21  C1b C    22.2705  -10.2531
            22  C1b C    22.2705  -15.8368
            23  O5a O    19.8601  -15.8368
            24  C1c C    16.2306  -17.9309
            25  C1z C    16.2026   -8.1403
            26  C1y C    23.4896  -10.9419
            27  C1c C    22.2799  -17.2422
            28  C1b C    16.2306  -19.3363
            29  O1a O    15.0207  -17.2422
            30  C1x C    14.9928   -8.8477
            31  O2x O    16.2026   -6.7445
            32  C6a C    17.4775   -8.6523
            33  C1y C    23.4896  -12.3469
            34  O2x O    24.6995  -10.2531
            35  C1b C    21.0701  -17.9309
            36  O1a O    23.4991  -17.9404
            37  C1b C    15.0207  -20.0342
            38  C1y C    13.7829   -8.1403
            39  C1y C    14.9928   -6.0465
            40  O6a O    17.5430   -9.8803
            41  O6a O    18.6315   -7.9077
            42  C1y C    24.6995  -13.0451
            43  O1a O    22.2705  -12.6961
            44  C1y C    25.9095  -10.9419
            45  C1b C    21.0701  -19.3271
            46  C1b C    15.0207  -21.4396
            47  O2a O    12.6938   -8.8849
            48  C1y C    13.7829   -6.7445
            49  C1c C    14.8811   -4.6225
            50  C1y C    25.9095  -12.3469
            51  O7a O    24.6995  -14.4409
            52  O2b O    27.1194  -10.2531
            53  C1b C    19.8601  -20.0342
            54  C1b C    13.8107  -22.1283
            55  C1z C    11.5215   -9.6015
            56  O1a O    12.5452   -6.1207
            57  C1b C    16.0351   -3.8592
            58  O1a O    13.6526   -3.9802
            59  N1b N    27.9567  -13.0451
            60  C7a C    25.9186  -15.1389
            61  P1b P    27.1194   -8.8569
            62  C1b C    19.8601  -21.4396
            63  C1b C    13.8107  -23.5336
            64  O2x O    10.3021   -8.9500
            65  C1x C    11.5588  -10.9790
            66  C6a C    12.7126  -10.2808
            67  O1a O    16.0396   -2.4911
            68  C5a C    29.1759  -12.3377
            69  C1b C    25.9186  -16.5351
            70  O6a O    27.1194  -14.4409
            71  O1c O    25.7141   -8.8477
            72  O1c O    27.1100   -7.4516
            73  O1c O    28.5153   -8.8477
            74  C1b C    18.6501  -22.1283
            75  C1b C    12.6007  -24.2315
            76  C1y C     9.1202   -9.6574
            77  C1y C    10.3674  -11.7142
            78  O6a O    13.8947   -9.5828
            79  O6a O    12.7220  -11.6583
            80  C1b C    30.3859  -13.0451
            81  O5a O    29.2365  -10.9419
            82  C1c C    27.1286  -17.2330
            83  C1b C    18.6501  -23.5242
            84  C1b C    12.6007  -25.6274
            85  C1y C     9.0875  -11.0441
            86  C1c C     7.9012   -8.9967
            87  O1a O    10.3346  -13.1010
            88  C1c C    30.3859  -14.4409
            89  C1b C    27.1286  -18.6383
            90  O1a O    28.3385  -16.5351
            91  C1b C    17.4497  -24.2315
            92  C1b C    11.3911  -26.3257
            93  O1a O     7.9570  -11.7700
            94  C1b C     7.8731   -7.6192
            95  O1a O     6.7191   -9.7133
            96  C1b C    31.5864  -15.1389
            97  O1a O    29.1759  -15.1389
            98  C1b C    28.3477  -19.3271
            99  C1b C    17.4497  -25.6369
            100 C1b C    11.3911  -27.7215
            101 O1a O     6.6539   -6.9677
            102 C1b C    31.5769  -16.5537
            103 C1b C    28.3477  -20.7230
            104 C1b C    16.2398  -26.3348
            105 C1b C    10.1813  -28.4195
            106 C1b C    32.8148  -17.2703
            107 C1b C    29.5576  -21.4396
            108 C1b C    16.2398  -27.7307
            109 C1a C    10.1813  -29.8248
            110 C1b C    32.8054  -18.6941
            111 C1b C    29.5576  -22.8357
            112 C1a C    15.0299  -28.4289
            113 C1b C    34.0339  -19.4013
            114 C1b C    30.7675  -23.5151
            115 C1b C    34.0245  -20.7974
            116 C1b C    30.7675  -24.9203
            117 C1b C    35.2345  -21.5045
            118 C1b C    31.9680  -25.6183
            119 C1b C    35.2253  -22.9007
            120 C1b C    31.9680  -27.0141
            121 C1b C    36.4350  -23.5987
            122 C1b C    33.1779  -27.7121
            123 C1b C    36.4350  -24.9947
            124 C1a C    33.1779  -29.1174
            125 C1a C    37.6449  -25.7021
BOND        128
            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 1
            19   12  20 2
            20   13  21 1
            21   14  22 1
            22   14  23 2
            23   15  24 1
            24   17  25 1
            25   26  21 1 #Up
            26   22  27 1
            27   24  28 1
            28   24  29 1 #Up
            29   25  30 1
            30   25  31 1
            31   25  32 1 #Up
            32   26  33 1
            33   26  34 1
            34   27  35 1
            35   27  36 1 #Down
            36   28  37 1
            37   30  38 1
            38   31  39 1
            39   32  40 1
            40   32  41 2
            41   33  42 1
            42   33  43 1 #Down
            43   34  44 1
            44   35  45 1
            45   37  46 1
            46   38  47 1 #Up
            47   38  48 1
            48   39  49 1 #Up
            49   42  50 1
            50   42  51 1 #Up
            51   44  52 1 #Down
            52   45  53 1
            53   46  54 1
            54   55  47 1 #Down
            55   48  56 1 #Up
            56   49  57 1
            57   49  58 1 #Down
            58   50  59 1 #Down
            59   51  60 1
            60   52  61 1
            61   53  62 1
            62   54  63 1
            63   55  64 1
            64   55  65 1
            65   55  66 1 #Up
            66   57  67 1
            67   59  68 1
            68   60  69 1
            69   60  70 2
            70   61  71 1
            71   61  72 1
            72   61  73 2
            73   62  74 1
            74   63  75 1
            75   64  76 1
            76   65  77 1
            77   66  78 1
            78   66  79 2
            79   68  80 1
            80   68  81 2
            81   69  82 1
            82   74  83 1
            83   75  84 1
            84   76  85 1
            85   76  86 1 #Up
            86   77  87 1 #Up
            87   80  88 1
            88   82  89 1
            89   82  90 1 #Down
            90   83  91 1
            91   84  92 1
            92   85  93 1 #Up
            93   86  94 1
            94   86  95 1 #Down
            95   88  96 1
            96   88  97 1 #Up
            97   89  98 1
            98   91  99 1
            99   92 100 1
            100  94 101 1
            101  96 102 1
            102  98 103 1
            103  99 104 1
            104 100 105 1
            105 102 106 1
            106 103 107 1
            107 104 108 1
            108 105 109 1
            109 106 110 1
            110 107 111 1
            111 108 112 1
            112 110 113 1
            113 111 114 1
            114 113 115 1
            115 114 116 1
            116 115 117 1
            117 116 118 1
            118 117 119 1
            119 118 120 1
            120 119 121 1
            121 120 122 1
            122 121 123 1
            123 122 124 1
            124 123 125 1
            125   7  10 1
            126  39  48 1
            127  44  50 1
            128  77  85 1

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