KEGG   COMPOUND: C06042Help
Entry
C06042                      Compound                               

Name
Lipoteichoic acid;
(sn-Gro-1-P)25->6Glc-alpha1->2Glc-alpha1->3acyl2Gro
Formula
C92H201O140P25R2
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
Other DBs
PubChem: 8313
KCF data Show

ATOM        259
            1   C1y C    27.0900  -20.0900
            2   C1y C    28.3500  -20.7200
            3   C1y C    29.5400  -20.0900
            4   C1y C    29.5400  -18.6200
            5   C1y C    28.3500  -17.9200
            6   O2x O    27.0900  -18.6900
            7   C1b C    25.9700  -20.7900
            8   O1a O    30.8000  -20.7200
            9   O1a O    28.4200  -22.1200
            10  O1a O    30.7300  -17.9200
            11  C1y C    24.7100  -14.4200
            12  C1y C    24.7100  -15.8200
            13  C1y C    25.9000  -16.5200
            14  C1y C    27.1600  -15.8200
            15  C1y C    27.1600  -14.4200
            16  O2x O    25.9000  -13.7200
            17  C1b C    23.5200  -13.7200
            18  O1a O    25.9000  -17.9200
            19  O1a O    23.5200  -16.5200
            20  O2a O    28.3500  -13.7200
            21  O2a O    28.3500  -16.5200
            22  O1a O    22.3019  -14.4101
            23  C1b C    29.5624  -14.4200
            24  C1c C    30.7749  -13.7200
            25  C1b C    31.9873  -14.4200
            26  O7a O    33.1997  -13.7200
            27  C7a C    34.4122  -14.4200
            28  R   R    35.6246  -13.7200
            29  O7a O    30.7749  -12.3202
            30  C7a C    32.0061  -11.6092
            31  R   R    33.2111  -12.3048
            32  O6a O    32.0058  -10.2201
            33  O6a O    34.4122  -15.8197
            34  O2b O    24.7338  -20.1329
            35  P1b P    23.3338  -20.1329
            36  O1c O    23.3334  -18.7602
            37  O1c O    23.3343  -21.5598
            38  O2b O    21.8400  -20.1600
            39  C1b C    20.6276  -20.8600
            40  C1c C    19.4151  -20.1600
            41  C1b C    18.2027  -20.8600
            42  O2b O    16.9903  -20.1600
            43  P1b P    15.5903  -20.1600
            44  O2b O    14.1903  -20.1600
            45  O1c O    15.5903  -18.7601
            46  O1c O    15.5903  -21.5599
            47  C1b C    12.9976  -20.8600
            48  C1c C    11.7851  -20.1600
            49  C1b C    10.5727  -20.8600
            50  O2b O     9.3603  -20.1600
            51  P1b P     7.9603  -20.1600
            52  O2b O     6.5603  -20.1600
            53  O1c O     7.9603  -18.7601
            54  O1c O     7.9603  -21.5599
            55  C1b C     5.3676  -20.8600
            56  C1c C     4.1551  -20.1600
            57  C1b C     2.9427  -20.8600
            58  O1a O     1.7303  -20.1600
            59  O1a O     4.1551  -18.7602
            60  O1a O    11.7851  -18.7602
            61  O1a O    19.4151  -18.7602
            62  C1b C    18.2027  -20.8600
            63  O2b O    16.9903  -20.1600
            64  P1b P    15.5903  -20.1600
            65  O2b O    14.1903  -20.1600
            66  O1c O    15.5903  -18.7601
            67  O1c O    15.5903  -21.5599
            68  C1b C    12.9976  -20.8600
            69  C1c C    11.7851  -20.1600
            70  O1a O    11.7851  -18.7602
            71  C1b C    18.2027  -20.8600
            72  O2b O    16.9903  -20.1600
            73  P1b P    15.5903  -20.1600
            74  O2b O    14.1903  -20.1600
            75  O1c O    15.5903  -18.7601
            76  O1c O    15.5903  -21.5599
            77  C1b C    12.9976  -20.8600
            78  C1c C    11.7851  -20.1600
            79  O1a O    11.7851  -18.7602
            80  C1b C    18.2027  -20.8600
            81  O2b O    16.9903  -20.1600
            82  P1b P    15.5903  -20.1600
            83  O2b O    14.1903  -20.1600
            84  O1c O    15.5903  -18.7601
            85  O1c O    15.5903  -21.5599
            86  C1b C    12.9976  -20.8600
            87  C1c C    11.7851  -20.1600
            88  O1a O    11.7851  -18.7602
            89  C1b C    18.2027  -20.8600
            90  O2b O    16.9903  -20.1600
            91  P1b P    15.5903  -20.1600
            92  O2b O    14.1903  -20.1600
            93  O1c O    15.5903  -18.7601
            94  O1c O    15.5903  -21.5599
            95  C1b C    12.9976  -20.8600
            96  C1c C    11.7851  -20.1600
            97  O1a O    11.7851  -18.7602
            98  C1b C    18.2027  -20.8600
            99  O2b O    16.9903  -20.1600
            100 P1b P    15.5903  -20.1600
            101 O2b O    14.1903  -20.1600
            102 O1c O    15.5903  -18.7601
            103 O1c O    15.5903  -21.5599
            104 C1b C    12.9976  -20.8600
            105 C1c C    11.7851  -20.1600
            106 O1a O    11.7851  -18.7602
            107 C1b C    18.2027  -20.8600
            108 O2b O    16.9903  -20.1600
            109 P1b P    15.5903  -20.1600
            110 O2b O    14.1903  -20.1600
            111 O1c O    15.5903  -18.7601
            112 O1c O    15.5903  -21.5599
            113 C1b C    12.9976  -20.8600
            114 C1c C    11.7851  -20.1600
            115 O1a O    11.7851  -18.7602
            116 C1b C    18.2027  -20.8600
            117 O2b O    16.9903  -20.1600
            118 P1b P    15.5903  -20.1600
            119 O2b O    14.1903  -20.1600
            120 O1c O    15.5903  -18.7601
            121 O1c O    15.5903  -21.5599
            122 C1b C    12.9976  -20.8600
            123 C1c C    11.7851  -20.1600
            124 O1a O    11.7851  -18.7602
            125 C1b C    18.2027  -20.8600
            126 O2b O    16.9903  -20.1600
            127 P1b P    15.5903  -20.1600
            128 O2b O    14.1903  -20.1600
            129 O1c O    15.5903  -18.7601
            130 O1c O    15.5903  -21.5599
            131 C1b C    12.9976  -20.8600
            132 C1c C    11.7851  -20.1600
            133 O1a O    11.7851  -18.7602
            134 C1b C    18.2027  -20.8600
            135 O2b O    16.9903  -20.1600
            136 P1b P    15.5903  -20.1600
            137 O2b O    14.1903  -20.1600
            138 O1c O    15.5903  -18.7601
            139 O1c O    15.5903  -21.5599
            140 C1b C    12.9976  -20.8600
            141 C1c C    11.7851  -20.1600
            142 O1a O    11.7851  -18.7602
            143 C1b C    18.2027  -20.8600
            144 O2b O    16.9903  -20.1600
            145 P1b P    15.5903  -20.1600
            146 O2b O    14.1903  -20.1600
            147 O1c O    15.5903  -18.7601
            148 O1c O    15.5903  -21.5599
            149 C1b C    12.9976  -20.8600
            150 C1c C    11.7851  -20.1600
            151 O1a O    11.7851  -18.7602
            152 C1b C    18.2027  -20.8600
            153 O2b O    16.9903  -20.1600
            154 P1b P    15.5903  -20.1600
            155 O2b O    14.1903  -20.1600
            156 O1c O    15.5903  -18.7601
            157 O1c O    15.5903  -21.5599
            158 C1b C    12.9976  -20.8600
            159 C1c C    11.7851  -20.1600
            160 O1a O    11.7851  -18.7602
            161 C1b C    18.2027  -20.8600
            162 O2b O    16.9903  -20.1600
            163 P1b P    15.5903  -20.1600
            164 O2b O    14.1903  -20.1600
            165 O1c O    15.5903  -18.7601
            166 O1c O    15.5903  -21.5599
            167 C1b C    12.9976  -20.8600
            168 C1c C    11.7851  -20.1600
            169 O1a O    11.7851  -18.7602
            170 C1b C    18.2027  -20.8600
            171 O2b O    16.9903  -20.1600
            172 P1b P    15.5903  -20.1600
            173 O2b O    14.1903  -20.1600
            174 O1c O    15.5903  -18.7601
            175 O1c O    15.5903  -21.5599
            176 C1b C    12.9976  -20.8600
            177 C1c C    11.7851  -20.1600
            178 O1a O    11.7851  -18.7602
            179 C1b C    18.2027  -20.8600
            180 O2b O    16.9903  -20.1600
            181 P1b P    15.5903  -20.1600
            182 O2b O    14.1903  -20.1600
            183 O1c O    15.5903  -18.7601
            184 O1c O    15.5903  -21.5599
            185 C1b C    12.9976  -20.8600
            186 C1c C    11.7851  -20.1600
            187 O1a O    11.7851  -18.7602
            188 C1b C    18.2027  -20.8600
            189 O2b O    16.9903  -20.1600
            190 P1b P    15.5903  -20.1600
            191 O2b O    14.1903  -20.1600
            192 O1c O    15.5903  -18.7601
            193 O1c O    15.5903  -21.5599
            194 C1b C    12.9976  -20.8600
            195 C1c C    11.7851  -20.1600
            196 O1a O    11.7851  -18.7602
            197 C1b C    18.2027  -20.8600
            198 O2b O    16.9903  -20.1600
            199 P1b P    15.5903  -20.1600
            200 O2b O    14.1903  -20.1600
            201 O1c O    15.5903  -18.7601
            202 O1c O    15.5903  -21.5599
            203 C1b C    12.9976  -20.8600
            204 C1c C    11.7851  -20.1600
            205 O1a O    11.7851  -18.7602
            206 C1b C    18.2027  -20.8600
            207 O2b O    16.9903  -20.1600
            208 P1b P    15.5903  -20.1600
            209 O2b O    14.1903  -20.1600
            210 O1c O    15.5903  -18.7601
            211 O1c O    15.5903  -21.5599
            212 C1b C    12.9976  -20.8600
            213 C1c C    11.7851  -20.1600
            214 O1a O    11.7851  -18.7602
            215 C1b C    18.2027  -20.8600
            216 O2b O    16.9903  -20.1600
            217 P1b P    15.5903  -20.1600
            218 O2b O    14.1903  -20.1600
            219 O1c O    15.5903  -18.7601
            220 O1c O    15.5903  -21.5599
            221 C1b C    12.9976  -20.8600
            222 C1c C    11.7851  -20.1600
            223 O1a O    11.7851  -18.7602
            224 C1b C    18.2027  -20.8600
            225 O2b O    16.9903  -20.1600
            226 P1b P    15.5903  -20.1600
            227 O2b O    14.1903  -20.1600
            228 O1c O    15.5903  -18.7601
            229 O1c O    15.5903  -21.5599
            230 C1b C    12.9976  -20.8600
            231 C1c C    11.7851  -20.1600
            232 O1a O    11.7851  -18.7602
            233 C1b C    18.2027  -20.8600
            234 O2b O    16.9903  -20.1600
            235 P1b P    15.5903  -20.1600
            236 O2b O    14.1903  -20.1600
            237 O1c O    15.5903  -18.7601
            238 O1c O    15.5903  -21.5599
            239 C1b C    12.9976  -20.8600
            240 C1c C    11.7851  -20.1600
            241 O1a O    11.7851  -18.7602
            242 C1b C    18.2027  -20.8600
            243 O2b O    16.9903  -20.1600
            244 P1b P    15.5903  -20.1600
            245 O2b O    14.1903  -20.1600
            246 O1c O    15.5903  -18.7601
            247 O1c O    15.5903  -21.5599
            248 C1b C    12.9976  -20.8600
            249 C1c C    11.7851  -20.1600
            250 O1a O    11.7851  -18.7602
            251 C1b C    18.2027  -20.8600
            252 O2b O    16.9903  -20.1600
            253 P1b P    15.5903  -20.1600
            254 O2b O    14.1903  -20.1600
            255 O1c O    15.5903  -18.7601
            256 O1c O    15.5903  -21.5599
            257 C1b C    12.9976  -20.8600
            258 C1c C    11.7851  -20.1600
            259 O1a O    11.7851  -18.7602
BOND        260
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     1   7 1 #Up
            8     3   8 1 #Up
            9     2   9 1 #Down
            10    4  10 1 #Down
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   11  16 1
            17   11  17 1 #Up
            18   13  18 1 #Up
            19   12  19 1 #Down
            20   15  20 1 #Down
            21   14  21 1 #Down
            22    5  21 1 #Down
            23   17  22 1
            24   20  23 1
            25   23  24 1
            26   24  25 1
            27   25  26 1
            28   26  27 1
            29   27  28 1
            30   24  29 1 #Down
            31   29  30 1
            32   30  31 1
            33   30  32 2
            34   27  33 2
            35    7  34 1
            36   34  35 1
            37   35  36 2
            38   35  37 1
            39   38  39 1
            40   39  40 1
            41   49  50 1
            42   50  51 1
            43   51  52 1
            44   51  53 2
            45   51  54 1
            46   52  55 1
            47   55  56 1
            48   56  57 1
            49   57  58 1
            50   56  59 1 #Down
            51   40  61 1 #Down
            52   35  38 1
            53   40  41 1
            54   41  42 1
            55   42  43 1
            56   43  44 1
            57   43  45 2
            58   43  46 1
            59   44  47 1
            60   47  48 1
            61   48  60 1 #Down
            62   48  62 1
            63   62  63 1
            64   63  64 1
            65   64  65 1
            66   64  66 2
            67   64  67 1
            68   65  68 1
            69   68  69 1
            70   69  70 1 #Down
            71   69  71 1
            72   71  72 1
            73   72  73 1
            74   73  74 1
            75   73  75 2
            76   73  76 1
            77   74  77 1
            78   77  78 1
            79   78  79 1 #Down
            80   78  80 1
            81   80  81 1
            82   81  82 1
            83   82  83 1
            84   82  84 2
            85   82  85 1
            86   83  86 1
            87   86  87 1
            88   87  88 1 #Down
            89   87  89 1
            90   89  90 1
            91   90  91 1
            92   91  92 1
            93   91  93 2
            94   91  94 1
            95   92  95 1
            96   95  96 1
            97   96  97 1 #Down
            98   96  98 1
            99   98  99 1
            100  99 100 1
            101 100 101 1
            102 100 102 2
            103 100 103 1
            104 101 104 1
            105 104 105 1
            106 105 106 1 #Down
            107 105 107 1
            108 107 108 1
            109 108 109 1
            110 109 110 1
            111 109 111 2
            112 109 112 1
            113 110 113 1
            114 113 114 1
            115 114 115 1 #Down
            116 114 116 1
            117 116 117 1
            118 117 118 1
            119 118 119 1
            120 118 120 2
            121 118 121 1
            122 119 122 1
            123 122 123 1
            124 123 124 1 #Down
            125 123 125 1
            126 125 126 1
            127 126 127 1
            128 127 128 1
            129 127 129 2
            130 127 130 1
            131 128 131 1
            132 131 132 1
            133 132 133 1 #Down
            134 132 134 1
            135 134 135 1
            136 135 136 1
            137 136 137 1
            138 136 138 2
            139 136 139 1
            140 137 140 1
            141 140 141 1
            142 141 142 1 #Down
            143 141 143 1
            144 143 144 1
            145 144 145 1
            146 145 146 1
            147 145 147 2
            148 145 148 1
            149 146 149 1
            150 149 150 1
            151 150 151 1 #Down
            152 150 152 1
            153 152 153 1
            154 153 154 1
            155 154 155 1
            156 154 156 2
            157 154 157 1
            158 155 158 1
            159 158 159 1
            160 159 160 1 #Down
            161 159 161 1
            162 161 162 1
            163 162 163 1
            164 163 164 1
            165 163 165 2
            166 163 166 1
            167 164 167 1
            168 167 168 1
            169 168 169 1 #Down
            170 168 170 1
            171 170 171 1
            172 171 172 1
            173 172 173 1
            174 172 174 2
            175 172 175 1
            176 173 176 1
            177 176 177 1
            178 177 178 1 #Down
            179 177 179 1
            180 179 180 1
            181 180 181 1
            182 181 182 1
            183 181 183 2
            184 181 184 1
            185 182 185 1
            186 185 186 1
            187 186 187 1 #Down
            188 186 188 1
            189 188 189 1
            190 189 190 1
            191 190 191 1
            192 190 192 2
            193 190 193 1
            194 191 194 1
            195 194 195 1
            196 195 196 1 #Down
            197 195 197 1
            198 197 198 1
            199 198 199 1
            200 199 200 1
            201 199 201 2
            202 199 202 1
            203 200 203 1
            204 203 204 1
            205 204 205 1 #Down
            206 204 206 1
            207 206 207 1
            208 207 208 1
            209 208 209 1
            210 208 210 2
            211 208 211 1
            212 209 212 1
            213 212 213 1
            214 213 214 1 #Down
            215 213 215 1
            216 215 216 1
            217 216 217 1
            218 217 218 1
            219 217 219 2
            220 217 220 1
            221 218 221 1
            222 221 222 1
            223 222 223 1 #Down
            224 222 224 1
            225 224 225 1
            226 225 226 1
            227 226 227 1
            228 226 228 2
            229 226 229 1
            230 227 230 1
            231 230 231 1
            232 231 232 1 #Down
            233 231 233 1
            234 233 234 1
            235 234 235 1
            236 235 236 1
            237 235 237 2
            238 235 238 1
            239 236 239 1
            240 239 240 1
            241 240 241 1 #Down
            242 240 242 1
            243 242 243 1
            244 243 244 1
            245 244 245 1
            246 244 246 2
            247 244 247 1
            248 245 248 1
            249 248 249 1
            250 249 250 1 #Down
            251 249 251 1
            252 251 252 1
            253 252 253 1
            254 253 254 1
            255 253 255 2
            256 253 256 1
            257 254 257 1
            258 257 258 1
            259 258 259 1 #Down
            260 258  49 1
BRACKET     1    11.0600  -21.5600   11.0600  -19.5300
            1    18.5500  -19.6000   18.5500  -21.6300
            1  23
 ORIGINAL  1   41  42  43  44  45  46  47  48  60
 REPEAT    1   62  63  64  65  66  67  68  69  70  71  72  73  74  75  76  77
            1   78  79  80  81  82  83  84  85  86  87  88  89  90  91  92  93
            1   94  95  96  97  98  99 100 101 102 103 104 105 106 107 108 109
            1  110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125
            1  126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141
            1  142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157
            1  158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173
            1  174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189
            1  190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205
            1  206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221
            1  222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237
            1  238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253
            1  254 255 256 257 258 259

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