KEGG   COMPOUND: C01289Help
Entry
C01289                      Compound                               

Name
N-Acetyl-D-glucosaminyldiphosphoundecaprenol;
N-Acetyl-D-glucosaminyldiphospho-ditrans,octacis-undecaprenol;
N-Acetyl-alpha-D-glucosaminyl-diphospho-ditrans,octacis-undecaprenol;
Lipid I
Formula
C63H105NO12P2
Exact mass
1129.7112
Mol weight
1130.4548
Structure
Mol fileKCF fileDB search
Reaction
Enzyme
2.4.1.180       2.4.1.187       2.4.1.188       2.4.1.303       
2.4.1.304       2.4.1.305       2.4.1.343       2.4.1.348       
2.7.8.33        5.1.3.26
Brite
Lipids [BR:br08002]
 PR  Prenol Lipids
  PR03 Polyprenols
   PR0303 Bactoprenol diphosphates
    C01289  N-Acetyl-D-glucosaminyldiphosphoundecaprenol
BRITE hierarchy
Other DBs
PubChem: 4508
ChEBI: 16511
3DMET: B01434
NIKKAJI: J2.732.416I
LinkDB All DBs
KCF data Show

ATOM        78
            1   C1b C    20.3700  -13.1600
            2   C1b C    19.3200  -13.8600
            3   C2c C    18.0600  -13.1600
            4   C1a C    18.0600  -11.7600
            5   C1b C    16.8700  -15.2600
            6   C2b C    16.8700  -13.8600
            7   O2b O    15.1200  -16.3100
            8   C1a C    34.0900  -13.8600
            9   C2c C    32.8300  -13.1600
            10  C2b C    31.5700  -13.8600
            11  C1a C    32.8300  -11.7600
            12  C1b C    30.3100  -13.1600
            13  C1b C    29.1200  -13.8600
            14  C2c C    27.8600  -13.1600
            15  C2b C    26.6000  -13.8600
            16  C1a C    27.8600  -11.7600
            17  C1b C    25.3400  -13.1600
            18  C1b C    24.1500  -13.8600
            19  C2c C    22.8900  -13.1600
            20  C2b C    21.6300  -13.8600
            21  C1a C    22.8900  -11.7600
            22  P1b P    13.6500  -16.3100
            23  O2c O    12.1800  -16.3100
            24  O1c O    13.6500  -14.8400
            25  O1c O    13.6500  -17.7800
            26  P1b P    10.7100  -16.3100
            27  O2b O     9.2400  -16.3100
            28  O1c O    10.7100  -14.8400
            29  O1c O    10.7100  -17.7800
            30  C1y C     8.0276  -17.0100
            31  O2x O     6.8321  -16.3196
            32  C1y C     5.6196  -17.0195
            33  C1y C     5.6194  -18.4195
            34  C1y C     6.8149  -19.1099
            35  C1y C     8.0274  -18.4100
            36  C1b C     4.4071  -16.3195
            37  O1a O     6.8149  -20.5099
            38  O1a O     4.4070  -19.1195
            39  N1b N     9.2398  -19.1100
            40  O1a O     3.1947  -17.0195
            41  C5a C     9.2398  -20.5100
            42  O5a O     8.0274  -21.2100
            43  C1a C    10.4523  -21.2100
            44  C1b C    19.3200  -13.8600
            45  C2c C    18.0600  -13.1600
            46  C1a C    18.0600  -11.7600
            47  C1b C    16.8700  -15.2600
            48  C2b C    16.8700  -13.8600
            49  C1b C    19.3200  -13.8600
            50  C2c C    18.0600  -13.1600
            51  C1a C    18.0600  -11.7600
            52  C1b C    16.8700  -15.2600
            53  C2b C    16.8700  -13.8600
            54  C1b C    19.3200  -13.8600
            55  C2c C    18.0600  -13.1600
            56  C1a C    18.0600  -11.7600
            57  C1b C    16.8700  -15.2600
            58  C2b C    16.8700  -13.8600
            59  C1b C    19.3200  -13.8600
            60  C2c C    18.0600  -13.1600
            61  C1a C    18.0600  -11.7600
            62  C1b C    16.8700  -15.2600
            63  C2b C    16.8700  -13.8600
            64  C1b C    19.3200  -13.8600
            65  C2c C    18.0600  -13.1600
            66  C1a C    18.0600  -11.7600
            67  C1b C    16.8700  -15.2600
            68  C2b C    16.8700  -13.8600
            69  C1b C    19.3200  -13.8600
            70  C2c C    18.0600  -13.1600
            71  C1a C    18.0600  -11.7600
            72  C1b C    16.8700  -15.2600
            73  C2b C    16.8700  -13.8600
            74  C1b C    19.3200  -13.8600
            75  C2c C    18.0600  -13.1600
            76  C1a C    18.0600  -11.7600
            77  C1b C    16.8700  -15.2600
            78  C2b C    16.8700  -13.8600
BOND        78
            1    12  13 1
            2    13  14 1
            3    14  15 2
            4    14  16 1
            5    15  17 1
            6    10  12 1
            7     8   9 1
            8     9  10 2
            9    17  18 1
            10   18  19 1
            11   19  20 2
            12   19  21 1
            13   20   1 1
            14    9  11 1
            15    7  22 1
            16   22  23 1
            17   22  24 1
            18   22  25 2
            19   23  26 1
            20   26  27 1
            21   26  28 1
            22   26  29 2
            23   30  27 1 #Down
            24   30  31 1
            25   31  32 1
            26   32  33 1
            27   33  34 1
            28   34  35 1
            29   30  35 1
            30   32  36 1 #Up
            31   34  37 1 #Up
            32   33  38 1 #Down
            33   35  39 1 #Down
            34   36  40 1
            35   39  41 1
            36   41  42 2
            37   41  43 1
            38    1   2 1
            39    3   4 1
            40    3   2 1
            41    5   6 1
            42    6   3 2
            43    5  44 1
            44   45  46 1
            45   45  44 1
            46   47  48 1
            47   48  45 2
            48   47  49 1
            49   50  51 1
            50   50  49 1
            51   52  53 1
            52   53  50 2
            53   52  54 1
            54   55  56 1
            55   55  54 1
            56   57  58 1
            57   58  55 2
            58   57  59 1
            59   60  61 1
            60   60  59 1
            61   62  63 1
            62   63  60 2
            63   62  64 1
            64   65  66 1
            65   65  64 1
            66   67  68 1
            67   68  65 2
            68   67  69 1
            69   70  71 1
            70   70  69 1
            71   72  73 1
            72   73  70 2
            73   72  74 1
            74   75  76 1
            75   75  74 1
            76   77  78 1
            77   78  75 2
            78   77   7 1
BRACKET     1    16.5900  -16.3800   16.5900  -11.1300
            1    19.5300  -11.1300   19.5300  -16.3800
            1  8
 ORIGINAL  1    2   3   4   5   6
 REPEAT    1   44  45  46  47  48  49  50  51  52  53  54  55  56  57  58  59
            1   60  61  62  63  64  65  66  67  68  69  70  71  72  73  74  75
            1   76  77  78

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