KEGG   COMPOUND: C20898Help
Entry
C20898                      Compound                               

Name
Lipoteichoic acid;
(sn-Gro-1-P)n->6Glc-beta1->6Glc-beta1->3acyl2Gro
Formula
C17H26O15R2(C3H7O5P)n
Structure
Mol fileKCF fileDB search
Comment
Generic compound in reaction hierarchy
The hydroxy groups of Gro-1-P subunits may be D-alanylated or glycosylated.
Reaction
Pathway
map00561  Glycerolipid metabolism
map01100  Metabolic pathways
map05150  Staphylococcus aureus infection
Other DBs
PubChem: 254741361
LinkDB All DBs
KCF data Show

ATOM        61
            1   C1y C    38.4159  -17.6642
            2   C1y C    38.4159  -16.2736
            3   O1a O    39.6211  -18.3594
            4   C1y C    37.2109  -18.3594
            5   O2x O    37.2109  -15.5784
            6   O2a O    39.6211  -15.5784
            7   C1y C    36.0058  -17.6642
            8   O1a O    37.2109  -19.7499
            9   C1y C    36.0058  -16.2736
            10  C1b C    40.8262  -16.2736
            11  O1a O    34.8006  -18.3594
            12  C1b C    34.8006  -15.5784
            13  C1c C    42.0314  -15.5320
            14  C1b C    43.2366  -16.2736
            15  O7a O    42.0552  -14.1416
            16  O7a O    44.3951  -15.5320
            17  C7a C    43.1901  -13.4462
            18  C7a C    45.6003  -16.2273
            19  O6a O    43.1901  -12.0559
            20  R   R    44.3951  -14.1416
            21  O6a O    46.8054  -15.5320
            22  R   R    45.6003  -17.6177
            23  O2a O    33.5492  -16.2273
            24  C1y C    32.3441  -16.9226
            25  O2x O    31.1390  -16.1810
            26  C1y C    32.3441  -18.3130
            27  C1y C    29.9338  -16.8762
            28  C1y C    31.1390  -18.9620
            29  O1a O    33.2244  -19.3332
            30  C1y C    29.9338  -18.2668
            31  C1b C    28.7289  -16.1810
            32  O1a O    31.0927  -20.3988
            33  O1a O    28.7289  -18.9620
            34  O2b O    27.4233  -17.3819
            35  P1b P    26.0311  -17.4026
            36  O2b O    24.6333  -17.4234
            37  O1c O    25.9988  -16.0050
            38  O1c O    26.0402  -18.7948
            39  C1b C    23.4372  -18.1433
            40  C1c C    22.2321  -17.4649
            41  C1b C    21.0359  -18.1846
            42  O1a O    22.2055  -16.0729
            43  O2b O    19.8252  -17.5064
            44  P1b P    18.4252  -17.5064
            45  O1c O    18.4252  -16.1064
            46  O1c O    18.4252  -18.9064
            47  O2b O    17.0252  -17.5064
            48  C1b C    15.7976  -18.2000
            49  C1c C    14.5851  -17.5000
            50  C1b C    13.3727  -18.2000
            51  O2b O    12.1603  -17.5000
            52  O1a O    14.5851  -16.1000
            53  P1b P    10.7603  -17.5000
            54  O1c O    10.7603  -16.1000
            55  O2b O     9.3603  -17.5000
            56  O1c O    10.7603  -18.9000
            57  C1b C     8.1676  -18.2000
            58  C1c C     6.9551  -17.5000
            59  C1b C     5.7427  -18.2000
            60  O1a O     4.5303  -17.5000
            61  O1a O     6.9551  -16.1002
BOND        62
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1
            4     2   5 1
            5     2   6 1 #Up
            6     4   7 1
            7     4   8 1 #Up
            8     5   9 1
            9     6  10 1
            10    7  11 1 #Down
            11    9  12 1 #Up
            12   10  13 1
            13   13  14 1
            14   13  15 1 #Down
            15   14  16 1
            16   15  17 1
            17   16  18 1
            18   17  19 2
            19   17  20 1
            20   18  21 2
            21   18  22 1
            22    7   9 1
            23   12  23 1
            24   24  25 1
            25   24  26 1
            26   25  27 1
            27   26  28 1
            28   26  29 1 #Down
            29   27  30 1
            30   27  31 1 #Up
            31   28  32 1 #Up
            32   30  33 1 #Down
            33   28  30 1
            34   24  23 1 #Up
            35   34  35 1
            36   35  36 1
            37   35  37 1
            38   35  38 2
            39   36  39 1
            40   39  40 1
            41   40  41 1
            42   40  42 1 #Down
            43   41  43 1
            44   31  34 1
            45   43  44 1
            46   44  45 1
            47   44  46 2
            48   44  47 1
            49   47  48 1
            50   48  49 1
            51   49  50 1
            52   50  51 1
            53   49  52 1 #Down
            54   51  53 1
            55   53  54 1
            56   53  55 1
            57   53  56 2
            58   55  57 1
            59   57  58 1
            60   58  59 1
            61   59  60 1
            62   58  61 1 #Down
BRACKET     1    14.0700  -19.2500   14.0700  -16.4500
            1    21.2800  -16.4500   21.2800  -19.2500
            1  n-2
 ORIGINAL  1   41  43  44  45  46  47  48  49  52
 REPEAT    1

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