KEGG   COMPOUND: C21984Help
Entry
C21984                      Compound                               

Name
Deacyl-lipid IVA;
Deacyl-IVA
Formula
C54H104N2O21P2
Exact mass
1178.6607
Mol weight
1179.3519
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00540  Lipopolysaccharide biosynthesis
Enzyme
2.3.1.251       3.1.1.-
KCF data Show

ATOM        79
            1   C1y C    13.4275  -11.3022
            2   C1y C    14.6292  -10.6089
            3   C1y C    12.2256  -10.6089
            4   O7a O    13.4275  -12.6980
            5   C1y C    14.6292   -9.2131
            6   N1b N    15.8310  -11.3022
            7   C1y C    12.2256   -9.2131
            8   O2b O    11.0056  -11.3022
            9   C7a C    12.2256  -13.4008
            10  O2x O    13.4275   -8.5104
            11  O2a O    15.8310   -8.5104
            12  C5a C    15.8310  -12.6980
            13  C1b C    11.0056   -8.5104
            14  P1b P     9.6098  -11.2930
            15  C1b C    12.2256  -14.7964
            16  O6a O    11.0148  -12.6980
            17  C1b C    17.0419   -7.8171
            18  C1b C    17.0419  -13.4008
            19  O5a O    14.6292  -13.4008
            20  O1a O    11.0056   -7.1148
            21  O1c O     9.6003   -9.9063
            22  O1c O     8.2138  -11.2930
            23  O1c O     9.6003  -12.6890
            24  C1c C    11.0148  -15.4898
            25  C1y C    18.2529   -8.5198
            26  C1c C    17.0511  -14.7964
            27  C1b C    11.0148  -16.8857
            28  O1a O     9.8038  -14.7964
            29  C1y C    18.2529   -9.9063
            30  O2x O    19.4637   -7.8266
            31  C1b C    15.8402  -15.4898
            32  O1a O    18.2620  -15.4898
            33  C1b C     9.8038  -17.5884
            34  C1y C    19.4637  -10.6089
            35  O1a O    17.0419  -10.1906
            36  C1y C    20.6750   -8.5198
            37  C1b C    15.8402  -16.8763
            38  C1b C     9.8130  -18.9840
            39  C1y C    20.6750   -9.9063
            40  O1a O    19.4637  -12.0048
            41  O2b O    21.8765   -7.8266
            42  C1b C    14.6292  -17.5789
            43  C1b C     8.6020  -19.6775
            44  N1b N    22.6435  -10.6089
            45  P1b P    21.8765   -6.4306
            46  C1b C    14.6292  -18.9840
            47  C1b C     8.6020  -21.0734
            48  C5a C    23.8546   -9.9063
            49  O1c O    20.4806   -6.4212
            50  O1c O    21.8673   -5.0346
            51  O1c O    23.2724   -6.4306
            52  C1b C    13.4275  -19.6681
            53  C1b C     7.3911  -21.7666
            54  C1b C    25.0562  -10.6089
            55  O5a O    23.8453   -8.5104
            56  C1b C    13.4275  -21.0641
            57  C1b C     7.3911  -23.1626
            58  C1c C    25.0656  -12.0048
            59  C1b C    12.2256  -21.7758
            60  C1b C     6.1802  -23.8558
            61  C1b C    26.2672  -12.6980
            62  O1a O    23.8546  -12.6980
            63  C1b C    12.2256  -23.1717
            64  C1b C     6.1802  -25.2518
            65  C1b C    26.2580  -14.1125
            66  C1b C    11.0239  -23.8650
            67  C1b C     4.9690  -25.9540
            68  C1b C    27.4875  -14.8336
            69  C1b C    11.0239  -25.2609
            70  C1a C     4.9690  -27.3500
            71  C1b C    27.4875  -16.2479
            72  C1a C     9.8130  -25.9635
            73  C1b C    28.7078  -16.9503
            74  C1b C    28.6985  -18.3462
            75  C1b C    29.9097  -19.0488
            76  C1b C    29.9003  -20.4448
            77  C1b C    31.1112  -21.1380
            78  C1b C    31.1021  -22.5339
            79  C1a C    32.3039  -23.2456
BOND        80
            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   41  45 1
            45   42  46 1
            46   43  47 1
            47   44  48 1
            48   45  49 1
            49   45  50 1
            50   45  51 2
            51   46  52 1
            52   47  53 1
            53   48  54 1
            54   48  55 2
            55   52  56 1
            56   53  57 1
            57   54  58 1
            58   56  59 1
            59   57  60 1
            60   58  61 1
            61   58  62 1 #Up
            62   59  63 1
            63   60  64 1
            64   61  65 1
            65   63  66 1
            66   64  67 1
            67   65  68 1
            68   66  69 1
            69   67  70 1
            70   68  71 1
            71   69  72 1
            72   71  73 1
            73   73  74 1
            74   74  75 1
            75   75  76 1
            76   76  77 1
            77   77  78 1
            78   78  79 1
            79    7  10 1
            80   36  39 1

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